smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832674 483308497 /nfs/dbraw/zinc/30/84/97/483308497.db2.gz KYLULFRCXRAJDS-KBPBESRZSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832674 483308494 /nfs/dbraw/zinc/30/84/94/483308494.db2.gz KYLULFRCXRAJDS-KBPBESRZSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832680 483307669 /nfs/dbraw/zinc/30/76/69/483307669.db2.gz KYLULFRCXRAJDS-KGLIPLIRSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832680 483307667 /nfs/dbraw/zinc/30/76/67/483307667.db2.gz KYLULFRCXRAJDS-KGLIPLIRSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832687 483307800 /nfs/dbraw/zinc/30/78/00/483307800.db2.gz KYLULFRCXRAJDS-UONOGXRCSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832687 483307794 /nfs/dbraw/zinc/30/77/94/483307794.db2.gz KYLULFRCXRAJDS-UONOGXRCSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832693 483307660 /nfs/dbraw/zinc/30/76/60/483307660.db2.gz KYLULFRCXRAJDS-ZIAGYGMSSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000261832693 483307657 /nfs/dbraw/zinc/30/76/57/483307657.db2.gz KYLULFRCXRAJDS-ZIAGYGMSSA-N 2 1 351.451 -1.475 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000262038340 483308593 /nfs/dbraw/zinc/30/85/93/483308593.db2.gz HMJZANZQTULKCV-UHFFFAOYSA-N 2 1 353.467 -1.715 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000262529404 483309773 /nfs/dbraw/zinc/30/97/73/483309773.db2.gz OLQUIYQVFOLYRV-CABCVRRESA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000262529405 483310167 /nfs/dbraw/zinc/31/01/67/483310167.db2.gz OLQUIYQVFOLYRV-GJZGRUSLSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000262529407 483310047 /nfs/dbraw/zinc/31/00/47/483310047.db2.gz OLQUIYQVFOLYRV-HUUCEWRRSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000262529410 483310121 /nfs/dbraw/zinc/31/01/21/483310121.db2.gz OLQUIYQVFOLYRV-LSDHHAIUSA-N 2 1 365.478 -1.181 20 0 FAADMP C[C@@H]1C[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000328856048 483109020 /nfs/dbraw/zinc/10/90/20/483109020.db2.gz XEHGAQMKHRHIPS-FPCVCCKLSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000328856048 483109015 /nfs/dbraw/zinc/10/90/15/483109015.db2.gz XEHGAQMKHRHIPS-FPCVCCKLSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000328856051 483109918 /nfs/dbraw/zinc/10/99/18/483109918.db2.gz XEHGAQMKHRHIPS-FZKCQIBNSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000328856051 483109914 /nfs/dbraw/zinc/10/99/14/483109914.db2.gz XEHGAQMKHRHIPS-FZKCQIBNSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000328856053 483108413 /nfs/dbraw/zinc/10/84/13/483108413.db2.gz XEHGAQMKHRHIPS-SYMSYNOKSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000328856053 483108409 /nfs/dbraw/zinc/10/84/09/483108409.db2.gz XEHGAQMKHRHIPS-SYMSYNOKSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000328856056 483109378 /nfs/dbraw/zinc/10/93/78/483109378.db2.gz XEHGAQMKHRHIPS-WCVJEAGWSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@@H]1[NH+](C)C ZINC000331585814 272832355 /nfs/dbraw/zinc/83/23/55/272832355.db2.gz JSEJWLAGRUYEPF-ILXRZTDVSA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@@H]1[NH+](C)C ZINC000331585818 483165533 /nfs/dbraw/zinc/16/55/33/483165533.db2.gz JSEJWLAGRUYEPF-KFWWJZLASA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H]1[NH+](C)C ZINC000331585820 483165613 /nfs/dbraw/zinc/16/56/13/483165613.db2.gz JSEJWLAGRUYEPF-QLFBSQMISA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H]1[NH+](C)C ZINC000331585822 483165073 /nfs/dbraw/zinc/16/50/73/483165073.db2.gz JSEJWLAGRUYEPF-RBSFLKMASA-N 2 1 365.478 -1.182 20 0 FAADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604205 483165978 /nfs/dbraw/zinc/16/59/78/483165978.db2.gz DSCPRWAVQPMYNK-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604205 483165974 /nfs/dbraw/zinc/16/59/74/483165974.db2.gz DSCPRWAVQPMYNK-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000331604205 483165966 /nfs/dbraw/zinc/16/59/66/483165966.db2.gz DSCPRWAVQPMYNK-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604208 483165105 /nfs/dbraw/zinc/16/51/05/483165105.db2.gz DSCPRWAVQPMYNK-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604208 483165102 /nfs/dbraw/zinc/16/51/02/483165102.db2.gz DSCPRWAVQPMYNK-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000331604208 483165095 /nfs/dbraw/zinc/16/50/95/483165095.db2.gz DSCPRWAVQPMYNK-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604212 483166243 /nfs/dbraw/zinc/16/62/43/483166243.db2.gz DSCPRWAVQPMYNK-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604212 483166236 /nfs/dbraw/zinc/16/62/36/483166236.db2.gz DSCPRWAVQPMYNK-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000331604212 483166228 /nfs/dbraw/zinc/16/62/28/483166228.db2.gz DSCPRWAVQPMYNK-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604216 483165650 /nfs/dbraw/zinc/16/56/50/483165650.db2.gz DSCPRWAVQPMYNK-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604216 483165643 /nfs/dbraw/zinc/16/56/43/483165643.db2.gz DSCPRWAVQPMYNK-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000331604216 483165634 /nfs/dbraw/zinc/16/56/34/483165634.db2.gz DSCPRWAVQPMYNK-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331605777 483164916 /nfs/dbraw/zinc/16/49/16/483164916.db2.gz VURJZHCBPNMLQP-IHRRRGAJSA-N 2 1 367.450 -2.458 20 0 FAADMP CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331605791 483165010 /nfs/dbraw/zinc/16/50/10/483165010.db2.gz VURJZHCBPNMLQP-RDBSUJKOSA-N 2 1 367.450 -2.458 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331607014 483165216 /nfs/dbraw/zinc/16/52/16/483165216.db2.gz FCTSIARHYHNQJT-QLFBSQMISA-N 2 1 365.478 -1.005 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331607032 483165242 /nfs/dbraw/zinc/16/52/42/483165242.db2.gz FCTSIARHYHNQJT-RBSFLKMASA-N 2 1 365.478 -1.005 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331607045 483164973 /nfs/dbraw/zinc/16/49/73/483164973.db2.gz FCTSIARHYHNQJT-RRFJBIMHSA-N 2 1 365.478 -1.005 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331607056 483166177 /nfs/dbraw/zinc/16/61/77/483166177.db2.gz FCTSIARHYHNQJT-SOUVJXGZSA-N 2 1 365.478 -1.005 20 0 FAADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331628137 483168197 /nfs/dbraw/zinc/16/81/97/483168197.db2.gz PVGSCZMWPSSJNM-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331628142 483168476 /nfs/dbraw/zinc/16/84/76/483168476.db2.gz PVGSCZMWPSSJNM-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331628143 483168319 /nfs/dbraw/zinc/16/83/19/483168319.db2.gz PVGSCZMWPSSJNM-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331628144 483167759 /nfs/dbraw/zinc/16/77/59/483167759.db2.gz PVGSCZMWPSSJNM-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331802927 483170683 /nfs/dbraw/zinc/17/06/83/483170683.db2.gz CCIKACMOVZXXIM-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331802931 483170268 /nfs/dbraw/zinc/17/02/68/483170268.db2.gz CCIKACMOVZXXIM-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331802935 483169206 /nfs/dbraw/zinc/16/92/06/483169206.db2.gz CCIKACMOVZXXIM-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331802938 483170239 /nfs/dbraw/zinc/17/02/39/483170239.db2.gz CCIKACMOVZXXIM-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@@H]1[NH3+] ZINC000331822383 483170725 /nfs/dbraw/zinc/17/07/25/483170725.db2.gz HSRPNXJIOBBXJZ-HZSPNIEDSA-N 2 1 351.451 -1.443 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@H]1[NH3+] ZINC000331822386 483169635 /nfs/dbraw/zinc/16/96/35/483169635.db2.gz HSRPNXJIOBBXJZ-MCIONIFRSA-N 2 1 351.451 -1.443 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H]1[NH3+] ZINC000331822389 483170464 /nfs/dbraw/zinc/17/04/64/483170464.db2.gz HSRPNXJIOBBXJZ-MGPQQGTHSA-N 2 1 351.451 -1.443 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@@H]1[NH3+] ZINC000331822393 483170991 /nfs/dbraw/zinc/17/09/91/483170991.db2.gz HSRPNXJIOBBXJZ-RDBSUJKOSA-N 2 1 351.451 -1.443 20 0 FAADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331852597 483172655 /nfs/dbraw/zinc/17/26/55/483172655.db2.gz RMODUMRLFMVWIZ-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331852598 483172113 /nfs/dbraw/zinc/17/21/13/483172113.db2.gz RMODUMRLFMVWIZ-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331852600 483172427 /nfs/dbraw/zinc/17/24/27/483172427.db2.gz RMODUMRLFMVWIZ-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000331852602 483172796 /nfs/dbraw/zinc/17/27/96/483172796.db2.gz RMODUMRLFMVWIZ-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331859704 483172006 /nfs/dbraw/zinc/17/20/06/483172006.db2.gz QGTWGYQBSUKCFP-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331859706 483172692 /nfs/dbraw/zinc/17/26/92/483172692.db2.gz QGTWGYQBSUKCFP-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331859708 483171946 /nfs/dbraw/zinc/17/19/46/483171946.db2.gz QGTWGYQBSUKCFP-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331859710 483171655 /nfs/dbraw/zinc/17/16/55/483171655.db2.gz QGTWGYQBSUKCFP-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331861149 483171519 /nfs/dbraw/zinc/17/15/19/483171519.db2.gz ITWXWIPVOUPWKM-ILXRZTDVSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331861150 483172521 /nfs/dbraw/zinc/17/25/21/483172521.db2.gz ITWXWIPVOUPWKM-KFWWJZLASA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331861151 483171925 /nfs/dbraw/zinc/17/19/25/483171925.db2.gz ITWXWIPVOUPWKM-QLFBSQMISA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331861152 483172303 /nfs/dbraw/zinc/17/23/03/483172303.db2.gz ITWXWIPVOUPWKM-RBSFLKMASA-N 2 1 365.478 -1.134 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000331887799 483171882 /nfs/dbraw/zinc/17/18/82/483171882.db2.gz NOJYVAFTQGCSNI-KBPBESRZSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000331887802 483171988 /nfs/dbraw/zinc/17/19/88/483171988.db2.gz NOJYVAFTQGCSNI-KGLIPLIRSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000331887804 483172671 /nfs/dbraw/zinc/17/26/71/483172671.db2.gz NOJYVAFTQGCSNI-UONOGXRCSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000331887816 483172050 /nfs/dbraw/zinc/17/20/50/483172050.db2.gz NOJYVAFTQGCSNI-ZIAGYGMSSA-N 2 1 351.451 -1.380 20 0 FAADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331888884 483171605 /nfs/dbraw/zinc/17/16/05/483171605.db2.gz IOWLJQHQOMAMQM-CABCVRRESA-N 2 1 365.478 -1.086 20 0 FAADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331888888 483172626 /nfs/dbraw/zinc/17/26/26/483172626.db2.gz IOWLJQHQOMAMQM-GJZGRUSLSA-N 2 1 365.478 -1.086 20 0 FAADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331888893 483172151 /nfs/dbraw/zinc/17/21/51/483172151.db2.gz IOWLJQHQOMAMQM-HUUCEWRRSA-N 2 1 365.478 -1.086 20 0 FAADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331888899 483172770 /nfs/dbraw/zinc/17/27/70/483172770.db2.gz IOWLJQHQOMAMQM-LSDHHAIUSA-N 2 1 365.478 -1.086 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000331901379 483172223 /nfs/dbraw/zinc/17/22/23/483172223.db2.gz PVYYOLPRJGEBLF-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000331901388 483171822 /nfs/dbraw/zinc/17/18/22/483171822.db2.gz PVYYOLPRJGEBLF-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000331931019 483172469 /nfs/dbraw/zinc/17/24/69/483172469.db2.gz MYFRJSOEJFQISH-KBPBESRZSA-N 2 1 351.451 -1.299 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000331931024 483172554 /nfs/dbraw/zinc/17/25/54/483172554.db2.gz MYFRJSOEJFQISH-KGLIPLIRSA-N 2 1 351.451 -1.299 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000331931029 483172729 /nfs/dbraw/zinc/17/27/29/483172729.db2.gz MYFRJSOEJFQISH-UONOGXRCSA-N 2 1 351.451 -1.299 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000331931034 483172754 /nfs/dbraw/zinc/17/27/54/483172754.db2.gz MYFRJSOEJFQISH-ZIAGYGMSSA-N 2 1 351.451 -1.299 20 0 FAADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000332255606 483175537 /nfs/dbraw/zinc/17/55/37/483175537.db2.gz DWPKMLPKFAKNRV-CVEARBPZSA-N 2 1 367.494 -1.201 20 0 FAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000332255612 272834564 /nfs/dbraw/zinc/83/45/64/272834564.db2.gz DWPKMLPKFAKNRV-HZPDHXFCSA-N 2 1 367.494 -1.201 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000332384859 272835021 /nfs/dbraw/zinc/83/50/21/272835021.db2.gz IJVMBQBWZAYDDL-HNNXBMFYSA-N 2 1 367.494 -1.592 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000332384861 483174930 /nfs/dbraw/zinc/17/49/30/483174930.db2.gz IJVMBQBWZAYDDL-OAHLLOKOSA-N 2 1 367.494 -1.592 20 0 FAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332413294 483177893 /nfs/dbraw/zinc/17/78/93/483177893.db2.gz SJZYNAAUNDBUET-HRCADAONSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332413294 483177888 /nfs/dbraw/zinc/17/78/88/483177888.db2.gz SJZYNAAUNDBUET-HRCADAONSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332413302 483177198 /nfs/dbraw/zinc/17/71/98/483177198.db2.gz SJZYNAAUNDBUET-JYJNAYRXSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332413302 483177195 /nfs/dbraw/zinc/17/71/95/483177195.db2.gz SJZYNAAUNDBUET-JYJNAYRXSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332413304 483176797 /nfs/dbraw/zinc/17/67/97/483176797.db2.gz SJZYNAAUNDBUET-OWCLPIDISA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332413304 483176790 /nfs/dbraw/zinc/17/67/90/483176790.db2.gz SJZYNAAUNDBUET-OWCLPIDISA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332413306 483177835 /nfs/dbraw/zinc/17/78/35/483177835.db2.gz SJZYNAAUNDBUET-PMPSAXMXSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332413306 483177829 /nfs/dbraw/zinc/17/78/29/483177829.db2.gz SJZYNAAUNDBUET-PMPSAXMXSA-N 2 1 367.494 -1.594 20 0 FAADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000332439417 483177055 /nfs/dbraw/zinc/17/70/55/483177055.db2.gz AMWYLNOLAYGMAK-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000332439441 483177458 /nfs/dbraw/zinc/17/74/58/483177458.db2.gz AMWYLNOLAYGMAK-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000332439446 483177522 /nfs/dbraw/zinc/17/75/22/483177522.db2.gz AMWYLNOLAYGMAK-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000332439450 483178039 /nfs/dbraw/zinc/17/80/39/483178039.db2.gz AMWYLNOLAYGMAK-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000332448220 272834557 /nfs/dbraw/zinc/83/45/57/272834557.db2.gz DJUOGHAUQICUBK-KFWWJZLASA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000332448222 483177926 /nfs/dbraw/zinc/17/79/26/483177926.db2.gz DJUOGHAUQICUBK-QLFBSQMISA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000332448225 483178380 /nfs/dbraw/zinc/17/83/80/483178380.db2.gz DJUOGHAUQICUBK-RBSFLKMASA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000332448228 483177384 /nfs/dbraw/zinc/17/73/84/483177384.db2.gz DJUOGHAUQICUBK-ZNMIVQPWSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000332454603 483177851 /nfs/dbraw/zinc/17/78/51/483177851.db2.gz HBJNPBWQRRLIKT-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000332454604 483178203 /nfs/dbraw/zinc/17/82/03/483178203.db2.gz HBJNPBWQRRLIKT-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000332455436 272834491 /nfs/dbraw/zinc/83/44/91/272834491.db2.gz HBJNPBWQRRLIKT-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000332455442 483176964 /nfs/dbraw/zinc/17/69/64/483176964.db2.gz HBJNPBWQRRLIKT-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000332461327 483177235 /nfs/dbraw/zinc/17/72/35/483177235.db2.gz JHBYDYZJZXVMTR-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000332461332 483178264 /nfs/dbraw/zinc/17/82/64/483178264.db2.gz JHBYDYZJZXVMTR-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332461337 483176590 /nfs/dbraw/zinc/17/65/90/483176590.db2.gz JHBYDYZJZXVMTR-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332461342 483178486 /nfs/dbraw/zinc/17/84/86/483178486.db2.gz JHBYDYZJZXVMTR-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@@H](C)C[NH2+]1 ZINC000332488317 483177687 /nfs/dbraw/zinc/17/76/87/483177687.db2.gz UGUVLUHJXHSDGA-ILXRZTDVSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@H](C)C[NH2+]1 ZINC000332488319 483176731 /nfs/dbraw/zinc/17/67/31/483176731.db2.gz UGUVLUHJXHSDGA-KFWWJZLASA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@@H](C)C[NH2+]1 ZINC000332488322 483178312 /nfs/dbraw/zinc/17/83/12/483178312.db2.gz UGUVLUHJXHSDGA-QLFBSQMISA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H](C)C[NH2+]1 ZINC000332488326 483177718 /nfs/dbraw/zinc/17/77/18/483177718.db2.gz UGUVLUHJXHSDGA-RBSFLKMASA-N 2 1 365.478 -1.040 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332489445 483176635 /nfs/dbraw/zinc/17/66/35/483176635.db2.gz UQMXUCGJTOWQQS-AWEZNQCLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332489449 483177146 /nfs/dbraw/zinc/17/71/46/483177146.db2.gz UQMXUCGJTOWQQS-CQSZACIVSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332490327 483177981 /nfs/dbraw/zinc/17/79/81/483177981.db2.gz UVAAJCVDIKPENS-KGLIPLIRSA-N 2 1 351.451 -1.299 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332490334 483176551 /nfs/dbraw/zinc/17/65/51/483176551.db2.gz UVAAJCVDIKPENS-ZIAGYGMSSA-N 2 1 351.451 -1.299 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332573009 483179407 /nfs/dbraw/zinc/17/94/07/483179407.db2.gz DQJZVGNMEBENLX-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332573009 483179403 /nfs/dbraw/zinc/17/94/03/483179403.db2.gz DQJZVGNMEBENLX-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332573011 483179531 /nfs/dbraw/zinc/17/95/31/483179531.db2.gz DQJZVGNMEBENLX-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332573011 483179525 /nfs/dbraw/zinc/17/95/25/483179525.db2.gz DQJZVGNMEBENLX-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332601034 483180295 /nfs/dbraw/zinc/18/02/95/483180295.db2.gz MLLSWJSNDKPQIF-AWEZNQCLSA-N 2 1 351.451 -1.380 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332601034 483180289 /nfs/dbraw/zinc/18/02/89/483180289.db2.gz MLLSWJSNDKPQIF-AWEZNQCLSA-N 2 1 351.451 -1.380 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332601035 483179467 /nfs/dbraw/zinc/17/94/67/483179467.db2.gz MLLSWJSNDKPQIF-CQSZACIVSA-N 2 1 351.451 -1.380 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332601035 483179460 /nfs/dbraw/zinc/17/94/60/483179460.db2.gz MLLSWJSNDKPQIF-CQSZACIVSA-N 2 1 351.451 -1.380 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332628553 483179375 /nfs/dbraw/zinc/17/93/75/483179375.db2.gz UMAQFGAGFRRDLW-CABCVRRESA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332628553 483179370 /nfs/dbraw/zinc/17/93/70/483179370.db2.gz UMAQFGAGFRRDLW-CABCVRRESA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332628554 483179250 /nfs/dbraw/zinc/17/92/50/483179250.db2.gz UMAQFGAGFRRDLW-GJZGRUSLSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332628554 483179244 /nfs/dbraw/zinc/17/92/44/483179244.db2.gz UMAQFGAGFRRDLW-GJZGRUSLSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332628555 272835469 /nfs/dbraw/zinc/83/54/69/272835469.db2.gz UMAQFGAGFRRDLW-HUUCEWRRSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332628555 272835467 /nfs/dbraw/zinc/83/54/67/272835467.db2.gz UMAQFGAGFRRDLW-HUUCEWRRSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332628556 483179904 /nfs/dbraw/zinc/17/99/04/483179904.db2.gz UMAQFGAGFRRDLW-LSDHHAIUSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332628556 483179901 /nfs/dbraw/zinc/17/99/01/483179901.db2.gz UMAQFGAGFRRDLW-LSDHHAIUSA-N 2 1 365.478 -1.003 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000332633779 483179225 /nfs/dbraw/zinc/17/92/25/483179225.db2.gz QEJZGMJWUPITOW-ILXRZTDVSA-N 2 1 365.478 -1.005 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000332633780 483180173 /nfs/dbraw/zinc/18/01/73/483180173.db2.gz QEJZGMJWUPITOW-KFWWJZLASA-N 2 1 365.478 -1.005 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000332633781 483180043 /nfs/dbraw/zinc/18/00/43/483180043.db2.gz QEJZGMJWUPITOW-QLFBSQMISA-N 2 1 365.478 -1.005 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000332633782 483179615 /nfs/dbraw/zinc/17/96/15/483179615.db2.gz QEJZGMJWUPITOW-RBSFLKMASA-N 2 1 365.478 -1.005 20 0 FAADMP CN1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732425 /nfs/dbraw/zinc/73/24/25/482732425.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732424 /nfs/dbraw/zinc/73/24/24/482732424.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732578 /nfs/dbraw/zinc/73/25/78/482732578.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732574 /nfs/dbraw/zinc/73/25/74/482732574.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733139 /nfs/dbraw/zinc/73/31/39/482733139.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733135 /nfs/dbraw/zinc/73/31/35/482733135.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 1 354.451 -1.197 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333633650 483185359 /nfs/dbraw/zinc/18/53/59/483185359.db2.gz HBLYLGLCYZPABO-HNNXBMFYSA-N 2 1 352.483 -1.160 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333633652 483185561 /nfs/dbraw/zinc/18/55/61/483185561.db2.gz HBLYLGLCYZPABO-OAHLLOKOSA-N 2 1 352.483 -1.160 20 0 FAADMP O=C(NCCC1=CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333824161 483186898 /nfs/dbraw/zinc/18/68/98/483186898.db2.gz LHCDYSKAXPSDHD-UHFFFAOYSA-N 2 1 357.480 -1.075 20 0 FAADMP CC(C)Nc1nc(N2CCC[N@H+]([C@H](C)CO)CC2)nc(NCCO)[nH+]1 ZINC000367825622 483209848 /nfs/dbraw/zinc/20/98/48/483209848.db2.gz KWFDOPRIXVAYEJ-CYBMUJFWSA-N 2 1 353.471 -1.167 20 0 FAADMP CC(C)Nc1nc(N2CCC[N@@H+]([C@H](C)CO)CC2)nc(NCCO)[nH+]1 ZINC000367825622 483209845 /nfs/dbraw/zinc/20/98/45/483209845.db2.gz KWFDOPRIXVAYEJ-CYBMUJFWSA-N 2 1 353.471 -1.167 20 0 FAADMP CC(C)Nc1nc(N2CCC[N@H+]([C@@H](C)CO)CC2)nc(NCCO)[nH+]1 ZINC000367825623 483209484 /nfs/dbraw/zinc/20/94/84/483209484.db2.gz KWFDOPRIXVAYEJ-ZDUSSCGKSA-N 2 1 353.471 -1.167 20 0 FAADMP CC(C)Nc1nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)nc(NCCO)[nH+]1 ZINC000367825623 483209478 /nfs/dbraw/zinc/20/94/78/483209478.db2.gz KWFDOPRIXVAYEJ-ZDUSSCGKSA-N 2 1 353.471 -1.167 20 0 FAADMP CNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)NC(=O)NC)CC2 ZINC000368771231 483214478 /nfs/dbraw/zinc/21/44/78/483214478.db2.gz WSQADXAUOXDWEG-UHFFFAOYSA-N 2 1 368.438 -1.315 20 0 FAADMP C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCCN(CCNS(C)(=O)=O)CC1 ZINC000372880134 483239634 /nfs/dbraw/zinc/23/96/34/483239634.db2.gz HTLXYYPVMKIZAS-CYBMUJFWSA-N 2 1 370.541 -1.129 20 0 FAADMP CN(CCNS(C)(=O)=O)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC000372880138 482853887 /nfs/dbraw/zinc/85/38/87/482853887.db2.gz HTLXYYPVMKIZAS-ZDUSSCGKSA-N 2 1 370.541 -1.129 20 0 FAADMP CN(CCNS(C)(=O)=O)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC000372880138 482853881 /nfs/dbraw/zinc/85/38/81/482853881.db2.gz HTLXYYPVMKIZAS-ZDUSSCGKSA-N 2 1 370.541 -1.129 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000374166901 483246754 /nfs/dbraw/zinc/24/67/54/483246754.db2.gz ZLFMYHHWVJTRTP-HNNXBMFYSA-N 2 1 356.467 -1.044 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000374166901 483246750 /nfs/dbraw/zinc/24/67/50/483246750.db2.gz ZLFMYHHWVJTRTP-HNNXBMFYSA-N 2 1 356.467 -1.044 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000374166902 483247043 /nfs/dbraw/zinc/24/70/43/483247043.db2.gz ZLFMYHHWVJTRTP-OAHLLOKOSA-N 2 1 356.467 -1.044 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000374166902 483247040 /nfs/dbraw/zinc/24/70/40/483247040.db2.gz ZLFMYHHWVJTRTP-OAHLLOKOSA-N 2 1 356.467 -1.044 20 0 FAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410503277 482642234 /nfs/dbraw/zinc/64/22/34/482642234.db2.gz MJVTZRWNXICCNI-UHFFFAOYSA-N 2 1 358.483 -1.062 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@H](C)[N@H+]1C ZINC000410707841 482927744 /nfs/dbraw/zinc/92/77/44/482927744.db2.gz FJRIATUDQCYXQC-QLFBSQMISA-N 2 1 356.467 -1.311 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@H](C)[N@H+]1C ZINC000410707913 482927027 /nfs/dbraw/zinc/92/70/27/482927027.db2.gz FJRIATUDQCYXQC-ZNMIVQPWSA-N 2 1 356.467 -1.311 20 0 FAADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C)C1 ZINC000413922989 482968361 /nfs/dbraw/zinc/96/83/61/482968361.db2.gz QRDDLNAEHYJLID-KBPBESRZSA-N 2 1 354.451 -1.040 20 0 FAADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C)C1 ZINC000413922993 482969720 /nfs/dbraw/zinc/96/97/20/482969720.db2.gz QRDDLNAEHYJLID-KGLIPLIRSA-N 2 1 354.451 -1.040 20 0 FAADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C)C1 ZINC000413922995 482969740 /nfs/dbraw/zinc/96/97/40/482969740.db2.gz QRDDLNAEHYJLID-UONOGXRCSA-N 2 1 354.451 -1.040 20 0 FAADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C)C1 ZINC000413922998 482969605 /nfs/dbraw/zinc/96/96/05/482969605.db2.gz QRDDLNAEHYJLID-ZIAGYGMSSA-N 2 1 354.451 -1.040 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417442216 483121408 /nfs/dbraw/zinc/12/14/08/483121408.db2.gz SSDNQJMSIQBDRI-UHFFFAOYSA-N 2 1 363.484 -1.807 20 0 FAADMP COCC[N@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417442216 483121401 /nfs/dbraw/zinc/12/14/01/483121401.db2.gz SSDNQJMSIQBDRI-UHFFFAOYSA-N 2 1 363.484 -1.807 20 0 FAADMP C[NH+](C)CCOCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418062612 483196917 /nfs/dbraw/zinc/19/69/17/483196917.db2.gz FWWJJFYOVPUKOE-UHFFFAOYSA-N 2 1 363.484 -1.807 20 0 FAADMP [NH3+]CCN(CCO)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418833811 483287035 /nfs/dbraw/zinc/28/70/35/483287035.db2.gz NUAFRUXBZOZKDB-UHFFFAOYSA-N 2 1 356.467 -1.083 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418917190 483289372 /nfs/dbraw/zinc/28/93/72/483289372.db2.gz HZIOLUWMQAENIT-HNNXBMFYSA-N 2 1 355.483 -1.519 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418917192 483289338 /nfs/dbraw/zinc/28/93/38/483289338.db2.gz HZIOLUWMQAENIT-OAHLLOKOSA-N 2 1 355.483 -1.519 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419082903 483288732 /nfs/dbraw/zinc/28/87/32/483288732.db2.gz BERSUCGAXWFAPT-AWEZNQCLSA-N 2 1 365.478 -1.133 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419082905 483289681 /nfs/dbraw/zinc/28/96/81/483289681.db2.gz BERSUCGAXWFAPT-CQSZACIVSA-N 2 1 365.478 -1.133 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419110619 483288988 /nfs/dbraw/zinc/28/89/88/483288988.db2.gz SOCJFNMJTYLOIQ-UHFFFAOYSA-N 2 1 373.479 -2.357 20 0 FAADMP C[N@H+](CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419110619 483288983 /nfs/dbraw/zinc/28/89/83/483288983.db2.gz SOCJFNMJTYLOIQ-UHFFFAOYSA-N 2 1 373.479 -2.357 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419117106 483289444 /nfs/dbraw/zinc/28/94/44/483289444.db2.gz ZOHRINDYUBHDKB-AWEZNQCLSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419117106 483289438 /nfs/dbraw/zinc/28/94/38/483289438.db2.gz ZOHRINDYUBHDKB-AWEZNQCLSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419117118 483289104 /nfs/dbraw/zinc/28/91/04/483289104.db2.gz ZOHRINDYUBHDKB-CQSZACIVSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000419117118 483289099 /nfs/dbraw/zinc/28/90/99/483289099.db2.gz ZOHRINDYUBHDKB-CQSZACIVSA-N 2 1 351.451 -1.380 20 0 FAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419150549 272853630 /nfs/dbraw/zinc/85/36/30/272853630.db2.gz MLILSBQFZJISDR-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419150559 483291256 /nfs/dbraw/zinc/29/12/56/483291256.db2.gz MLILSBQFZJISDR-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419150561 483290354 /nfs/dbraw/zinc/29/03/54/483290354.db2.gz MLILSBQFZJISDR-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419150564 483291312 /nfs/dbraw/zinc/29/13/12/483291312.db2.gz MLILSBQFZJISDR-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C[NH2+]1 ZINC000419343913 483290364 /nfs/dbraw/zinc/29/03/64/483290364.db2.gz HDINIZPWEQQDTB-HZSPNIEDSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C[NH2+]1 ZINC000419343914 483290119 /nfs/dbraw/zinc/29/01/19/483290119.db2.gz HDINIZPWEQQDTB-MCIONIFRSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C[NH2+]1 ZINC000419343915 483290794 /nfs/dbraw/zinc/29/07/94/483290794.db2.gz HDINIZPWEQQDTB-MGPQQGTHSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C[NH2+]1 ZINC000419343916 483290469 /nfs/dbraw/zinc/29/04/69/483290469.db2.gz HDINIZPWEQQDTB-RDBSUJKOSA-N 2 1 353.467 -1.101 20 0 FAADMP CC1(C)CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000419346480 483290511 /nfs/dbraw/zinc/29/05/11/483290511.db2.gz NOOQNAFJTWRRCM-CYBMUJFWSA-N 2 1 353.467 -1.100 20 0 FAADMP CC1(C)CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000419346481 483290273 /nfs/dbraw/zinc/29/02/73/483290273.db2.gz NOOQNAFJTWRRCM-ZDUSSCGKSA-N 2 1 353.467 -1.100 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419349609 483290869 /nfs/dbraw/zinc/29/08/69/483290869.db2.gz DLJXSBWFXZSXOA-AWEZNQCLSA-N 2 1 369.466 -1.896 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419349609 483290867 /nfs/dbraw/zinc/29/08/67/483290867.db2.gz DLJXSBWFXZSXOA-AWEZNQCLSA-N 2 1 369.466 -1.896 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419349611 483291217 /nfs/dbraw/zinc/29/12/17/483291217.db2.gz DLJXSBWFXZSXOA-CQSZACIVSA-N 2 1 369.466 -1.896 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419349611 483291213 /nfs/dbraw/zinc/29/12/13/483291213.db2.gz DLJXSBWFXZSXOA-CQSZACIVSA-N 2 1 369.466 -1.896 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)[NH2+]1 ZINC000419350182 483290662 /nfs/dbraw/zinc/29/06/62/483290662.db2.gz VWACQIFQGWOJOO-HZSPNIEDSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)[NH2+]1 ZINC000419350183 483291012 /nfs/dbraw/zinc/29/10/12/483291012.db2.gz VWACQIFQGWOJOO-MCIONIFRSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)[NH2+]1 ZINC000419350184 483291231 /nfs/dbraw/zinc/29/12/31/483291231.db2.gz VWACQIFQGWOJOO-MGPQQGTHSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)[NH2+]1 ZINC000419350185 483290881 /nfs/dbraw/zinc/29/08/81/483290881.db2.gz VWACQIFQGWOJOO-MJBXVCDLSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419367302 483290756 /nfs/dbraw/zinc/29/07/56/483290756.db2.gz DANAEECUWWWCRM-KBPBESRZSA-N 2 1 353.467 -1.148 20 0 FAADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419367312 483290062 /nfs/dbraw/zinc/29/00/62/483290062.db2.gz DANAEECUWWWCRM-KGLIPLIRSA-N 2 1 353.467 -1.148 20 0 FAADMP C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419367316 483291058 /nfs/dbraw/zinc/29/10/58/483291058.db2.gz DANAEECUWWWCRM-UONOGXRCSA-N 2 1 353.467 -1.148 20 0 FAADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419367317 483290786 /nfs/dbraw/zinc/29/07/86/483290786.db2.gz DANAEECUWWWCRM-ZIAGYGMSSA-N 2 1 353.467 -1.148 20 0 FAADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000419367935 483292712 /nfs/dbraw/zinc/29/27/12/483292712.db2.gz FBDSNDAVBVKHCT-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CCCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419367936 483292065 /nfs/dbraw/zinc/29/20/65/483292065.db2.gz FBDSNDAVBVKHCT-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369520 483291728 /nfs/dbraw/zinc/29/17/28/483291728.db2.gz HURSAJOHNRUQHX-CHWSQXEVSA-N 2 1 369.466 -1.504 20 0 FAADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369525 483292222 /nfs/dbraw/zinc/29/22/22/483292222.db2.gz HURSAJOHNRUQHX-OLZOCXBDSA-N 2 1 369.466 -1.504 20 0 FAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369526 272854724 /nfs/dbraw/zinc/85/47/24/272854724.db2.gz HURSAJOHNRUQHX-QWHCGFSZSA-N 2 1 369.466 -1.504 20 0 FAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419369527 483292513 /nfs/dbraw/zinc/29/25/13/483292513.db2.gz HURSAJOHNRUQHX-STQMWFEESA-N 2 1 369.466 -1.504 20 0 FAADMP C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000419374446 483292291 /nfs/dbraw/zinc/29/22/91/483292291.db2.gz PXQGRELDGBNNMH-KBPBESRZSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000419374447 483291811 /nfs/dbraw/zinc/29/18/11/483291811.db2.gz PXQGRELDGBNNMH-KGLIPLIRSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000419374448 483292265 /nfs/dbraw/zinc/29/22/65/483292265.db2.gz PXQGRELDGBNNMH-UONOGXRCSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000419374449 483292317 /nfs/dbraw/zinc/29/23/17/483292317.db2.gz PXQGRELDGBNNMH-ZIAGYGMSSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376479 483292675 /nfs/dbraw/zinc/29/26/75/483292675.db2.gz TWIJZKOXJGVYNH-KBPBESRZSA-N 2 1 353.467 -1.005 20 0 FAADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376480 483291828 /nfs/dbraw/zinc/29/18/28/483291828.db2.gz TWIJZKOXJGVYNH-KGLIPLIRSA-N 2 1 353.467 -1.005 20 0 FAADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376481 272854492 /nfs/dbraw/zinc/85/44/92/272854492.db2.gz TWIJZKOXJGVYNH-UONOGXRCSA-N 2 1 353.467 -1.005 20 0 FAADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376482 483292432 /nfs/dbraw/zinc/29/24/32/483292432.db2.gz TWIJZKOXJGVYNH-ZIAGYGMSSA-N 2 1 353.467 -1.005 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419378517 483292201 /nfs/dbraw/zinc/29/22/01/483292201.db2.gz VSRCGMDRSMERRN-AWEZNQCLSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419378518 483291668 /nfs/dbraw/zinc/29/16/68/483291668.db2.gz VSRCGMDRSMERRN-CQSZACIVSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419379803 483291802 /nfs/dbraw/zinc/29/18/02/483291802.db2.gz WWJCZBKIPSWZHW-KBPBESRZSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419379804 483292560 /nfs/dbraw/zinc/29/25/60/483292560.db2.gz WWJCZBKIPSWZHW-KGLIPLIRSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419379805 483292364 /nfs/dbraw/zinc/29/23/64/483292364.db2.gz WWJCZBKIPSWZHW-UONOGXRCSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419379806 483292456 /nfs/dbraw/zinc/29/24/56/483292456.db2.gz WWJCZBKIPSWZHW-ZIAGYGMSSA-N 2 1 353.467 -1.100 20 0 FAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419521811 483291771 /nfs/dbraw/zinc/29/17/71/483291771.db2.gz KTNNVPCTCTVXPS-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419521812 483291887 /nfs/dbraw/zinc/29/18/87/483291887.db2.gz KTNNVPCTCTVXPS-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419521813 483291757 /nfs/dbraw/zinc/29/17/57/483291757.db2.gz KTNNVPCTCTVXPS-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419521814 483291694 /nfs/dbraw/zinc/29/16/94/483291694.db2.gz KTNNVPCTCTVXPS-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000419530027 483292481 /nfs/dbraw/zinc/29/24/81/483292481.db2.gz YSZXICHVGFOCKD-CYBMUJFWSA-N 2 1 353.467 -1.100 20 0 FAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000419530028 272854811 /nfs/dbraw/zinc/85/48/11/272854811.db2.gz YSZXICHVGFOCKD-ZDUSSCGKSA-N 2 1 353.467 -1.100 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000419530296 483292681 /nfs/dbraw/zinc/29/26/81/483292681.db2.gz YUXAASUSSKCVEJ-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000419530297 483292019 /nfs/dbraw/zinc/29/20/19/483292019.db2.gz YUXAASUSSKCVEJ-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000419530298 483292720 /nfs/dbraw/zinc/29/27/20/483292720.db2.gz YUXAASUSSKCVEJ-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000419530299 483292612 /nfs/dbraw/zinc/29/26/12/483292612.db2.gz YUXAASUSSKCVEJ-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[N@H+]1C ZINC000419560713 483293509 /nfs/dbraw/zinc/29/35/09/483293509.db2.gz RMADYPRMDCGNIH-HZSPNIEDSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[N@H+]1C ZINC000419560714 483293746 /nfs/dbraw/zinc/29/37/46/483293746.db2.gz RMADYPRMDCGNIH-MCIONIFRSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[N@H+]1C ZINC000419560715 483293863 /nfs/dbraw/zinc/29/38/63/483293863.db2.gz RMADYPRMDCGNIH-MGPQQGTHSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[N@H+]1C ZINC000419560716 483293555 /nfs/dbraw/zinc/29/35/55/483293555.db2.gz RMADYPRMDCGNIH-RDBSUJKOSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000419592076 272855156 /nfs/dbraw/zinc/85/51/56/272855156.db2.gz RQLGVEFUXAMAJJ-CHWSQXEVSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000419592077 483293484 /nfs/dbraw/zinc/29/34/84/483293484.db2.gz RQLGVEFUXAMAJJ-OLZOCXBDSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000419592078 483293464 /nfs/dbraw/zinc/29/34/64/483293464.db2.gz RQLGVEFUXAMAJJ-QWHCGFSZSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+](C)C1CC1 ZINC000419592079 483293190 /nfs/dbraw/zinc/29/31/90/483293190.db2.gz RQLGVEFUXAMAJJ-STQMWFEESA-N 2 1 353.467 -1.101 20 0 FAADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419739203 483293635 /nfs/dbraw/zinc/29/36/35/483293635.db2.gz VUKJIKWIULKUEO-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419739206 483293894 /nfs/dbraw/zinc/29/38/94/483293894.db2.gz VUKJIKWIULKUEO-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842600 483294433 /nfs/dbraw/zinc/29/44/33/483294433.db2.gz IJVFVLSMNWIOHP-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000419843041 483294348 /nfs/dbraw/zinc/29/43/48/483294348.db2.gz CPMOUQRFYDMZAH-HNNXBMFYSA-N 2 1 369.510 -1.299 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000419843041 483294345 /nfs/dbraw/zinc/29/43/45/483294345.db2.gz CPMOUQRFYDMZAH-HNNXBMFYSA-N 2 1 369.510 -1.299 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000419843045 483295090 /nfs/dbraw/zinc/29/50/90/483295090.db2.gz CPMOUQRFYDMZAH-OAHLLOKOSA-N 2 1 369.510 -1.299 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000419843045 483295088 /nfs/dbraw/zinc/29/50/88/483295088.db2.gz CPMOUQRFYDMZAH-OAHLLOKOSA-N 2 1 369.510 -1.299 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419852976 483295522 /nfs/dbraw/zinc/29/55/22/483295522.db2.gz AHMOBQLOCMQEQK-KBPBESRZSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419852977 483295967 /nfs/dbraw/zinc/29/59/67/483295967.db2.gz AHMOBQLOCMQEQK-KGLIPLIRSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419852978 483295833 /nfs/dbraw/zinc/29/58/33/483295833.db2.gz AHMOBQLOCMQEQK-UONOGXRCSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419852979 483295611 /nfs/dbraw/zinc/29/56/11/483295611.db2.gz AHMOBQLOCMQEQK-ZIAGYGMSSA-N 2 1 351.451 -1.395 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419859047 483295567 /nfs/dbraw/zinc/29/55/67/483295567.db2.gz XYUBMORORUSAJG-INIZCTEOSA-N 2 1 369.510 -1.129 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419859048 483295892 /nfs/dbraw/zinc/29/58/92/483295892.db2.gz XYUBMORORUSAJG-MRXNPFEDSA-N 2 1 369.510 -1.129 20 0 FAADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000419867496 272855593 /nfs/dbraw/zinc/85/55/93/272855593.db2.gz LCUFUVHUQKTADP-INIZCTEOSA-N 2 1 369.510 -1.033 20 0 FAADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000419867496 272855591 /nfs/dbraw/zinc/85/55/91/272855591.db2.gz LCUFUVHUQKTADP-INIZCTEOSA-N 2 1 369.510 -1.033 20 0 FAADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000419867497 483295589 /nfs/dbraw/zinc/29/55/89/483295589.db2.gz LCUFUVHUQKTADP-MRXNPFEDSA-N 2 1 369.510 -1.033 20 0 FAADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000419867497 483295585 /nfs/dbraw/zinc/29/55/85/483295585.db2.gz LCUFUVHUQKTADP-MRXNPFEDSA-N 2 1 369.510 -1.033 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000419875418 483296046 /nfs/dbraw/zinc/29/60/46/483296046.db2.gz GZVVZGRTQTUINE-AWEZNQCLSA-N 2 1 355.483 -1.689 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000419875418 483296044 /nfs/dbraw/zinc/29/60/44/483296044.db2.gz GZVVZGRTQTUINE-AWEZNQCLSA-N 2 1 355.483 -1.689 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000419875430 483295688 /nfs/dbraw/zinc/29/56/88/483295688.db2.gz GZVVZGRTQTUINE-CQSZACIVSA-N 2 1 355.483 -1.689 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000419875430 483295684 /nfs/dbraw/zinc/29/56/84/483295684.db2.gz GZVVZGRTQTUINE-CQSZACIVSA-N 2 1 355.483 -1.689 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419901792 482624720 /nfs/dbraw/zinc/62/47/20/482624720.db2.gz UZPWISBVZQUCIX-KBPBESRZSA-N 2 1 353.467 -1.005 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419901794 482624509 /nfs/dbraw/zinc/62/45/09/482624509.db2.gz UZPWISBVZQUCIX-KGLIPLIRSA-N 2 1 353.467 -1.005 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419901796 482625006 /nfs/dbraw/zinc/62/50/06/482625006.db2.gz UZPWISBVZQUCIX-UONOGXRCSA-N 2 1 353.467 -1.005 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419901800 482624496 /nfs/dbraw/zinc/62/44/96/482624496.db2.gz UZPWISBVZQUCIX-ZIAGYGMSSA-N 2 1 353.467 -1.005 20 0 FAADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419910702 483297233 /nfs/dbraw/zinc/29/72/33/483297233.db2.gz QLRITCAECYHLME-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419910703 483296657 /nfs/dbraw/zinc/29/66/57/483296657.db2.gz QLRITCAECYHLME-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419963854 483296694 /nfs/dbraw/zinc/29/66/94/483296694.db2.gz ZPVYANWRZSRCCF-KBPBESRZSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419963857 483296477 /nfs/dbraw/zinc/29/64/77/483296477.db2.gz ZPVYANWRZSRCCF-KGLIPLIRSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419963858 483296614 /nfs/dbraw/zinc/29/66/14/483296614.db2.gz ZPVYANWRZSRCCF-UONOGXRCSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419963859 483296760 /nfs/dbraw/zinc/29/67/60/483296760.db2.gz ZPVYANWRZSRCCF-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419977844 483298326 /nfs/dbraw/zinc/29/83/26/483298326.db2.gz NQVQDVPMGWCPNE-KBPBESRZSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419977845 483297736 /nfs/dbraw/zinc/29/77/36/483297736.db2.gz NQVQDVPMGWCPNE-KGLIPLIRSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419977848 483297622 /nfs/dbraw/zinc/29/76/22/483297622.db2.gz NQVQDVPMGWCPNE-UONOGXRCSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419977850 483298099 /nfs/dbraw/zinc/29/80/99/483298099.db2.gz NQVQDVPMGWCPNE-ZIAGYGMSSA-N 2 1 353.467 -1.149 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420005847 483297932 /nfs/dbraw/zinc/29/79/32/483297932.db2.gz XGWUEQWSCOTCDO-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420005850 483298075 /nfs/dbraw/zinc/29/80/75/483298075.db2.gz XGWUEQWSCOTCDO-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420066148 483299052 /nfs/dbraw/zinc/29/90/52/483299052.db2.gz QPFSTSOTSJDRRV-KBPBESRZSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420066149 483298807 /nfs/dbraw/zinc/29/88/07/483298807.db2.gz QPFSTSOTSJDRRV-KGLIPLIRSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420066150 483299080 /nfs/dbraw/zinc/29/90/80/483299080.db2.gz QPFSTSOTSJDRRV-UONOGXRCSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420066151 483298867 /nfs/dbraw/zinc/29/88/67/483298867.db2.gz QPFSTSOTSJDRRV-ZIAGYGMSSA-N 2 1 351.451 -1.395 20 0 FAADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420110309 483298859 /nfs/dbraw/zinc/29/88/59/483298859.db2.gz FJWZFJMHSQGNBH-KBPBESRZSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420110310 483299291 /nfs/dbraw/zinc/29/92/91/483299291.db2.gz FJWZFJMHSQGNBH-KGLIPLIRSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420110311 483298964 /nfs/dbraw/zinc/29/89/64/483298964.db2.gz FJWZFJMHSQGNBH-UONOGXRCSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420110312 272856754 /nfs/dbraw/zinc/85/67/54/272856754.db2.gz FJWZFJMHSQGNBH-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420147444 483300363 /nfs/dbraw/zinc/30/03/63/483300363.db2.gz CSYORJZSRCUYQK-UHFFFAOYSA-N 2 1 361.393 -1.537 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420149435 483299700 /nfs/dbraw/zinc/29/97/00/483299700.db2.gz HWDSWEZUBLPYEP-LLVKDONJSA-N 2 1 361.393 -1.538 20 0 FAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420149435 483299697 /nfs/dbraw/zinc/29/96/97/483299697.db2.gz HWDSWEZUBLPYEP-LLVKDONJSA-N 2 1 361.393 -1.538 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420149437 483300595 /nfs/dbraw/zinc/30/05/95/483300595.db2.gz HWDSWEZUBLPYEP-NSHDSACASA-N 2 1 361.393 -1.538 20 0 FAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420149437 483300591 /nfs/dbraw/zinc/30/05/91/483300591.db2.gz HWDSWEZUBLPYEP-NSHDSACASA-N 2 1 361.393 -1.538 20 0 FAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154371 483300389 /nfs/dbraw/zinc/30/03/89/483300389.db2.gz RZBUWGUYFOPFFW-UHFFFAOYSA-N 2 1 363.409 -1.291 20 0 FAADMP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000420167175 483300124 /nfs/dbraw/zinc/30/01/24/483300124.db2.gz OQBGFOONRXJFAX-AWEZNQCLSA-N 2 1 369.466 -1.896 20 0 FAADMP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000420167177 483300081 /nfs/dbraw/zinc/30/00/81/483300081.db2.gz OQBGFOONRXJFAX-CQSZACIVSA-N 2 1 369.466 -1.896 20 0 FAADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000420168981 483300623 /nfs/dbraw/zinc/30/06/23/483300623.db2.gz LDTALIDBJPLTSQ-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000420168982 483300663 /nfs/dbraw/zinc/30/06/63/483300663.db2.gz LDTALIDBJPLTSQ-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420176568 483300529 /nfs/dbraw/zinc/30/05/29/483300529.db2.gz AEHJRDKHWZYONG-INIZCTEOSA-N 2 1 369.510 -1.033 20 0 FAADMP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420176574 272857571 /nfs/dbraw/zinc/85/75/71/272857571.db2.gz AEHJRDKHWZYONG-MRXNPFEDSA-N 2 1 369.510 -1.033 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420197982 483301433 /nfs/dbraw/zinc/30/14/33/483301433.db2.gz JXKPMVUXZCRWRG-CVEARBPZSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420197987 483301645 /nfs/dbraw/zinc/30/16/45/483301645.db2.gz JXKPMVUXZCRWRG-HOTGVXAUSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420197989 483301189 /nfs/dbraw/zinc/30/11/89/483301189.db2.gz JXKPMVUXZCRWRG-HZPDHXFCSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420197991 483300966 /nfs/dbraw/zinc/30/09/66/483300966.db2.gz JXKPMVUXZCRWRG-JKSUJKDBSA-N 2 1 367.494 -1.281 20 0 FAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000421516392 483302946 /nfs/dbraw/zinc/30/29/46/483302946.db2.gz XFTJHVXUTOEOJR-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000421516392 483302943 /nfs/dbraw/zinc/30/29/43/483302943.db2.gz XFTJHVXUTOEOJR-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000421516397 483303016 /nfs/dbraw/zinc/30/30/16/483303016.db2.gz XFTJHVXUTOEOJR-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000421516397 483303013 /nfs/dbraw/zinc/30/30/13/483303013.db2.gz XFTJHVXUTOEOJR-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423129706 483319917 /nfs/dbraw/zinc/31/99/17/483319917.db2.gz MAZDBPSUINRVGB-HNNXBMFYSA-N 2 1 365.478 -1.146 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000423129711 483321662 /nfs/dbraw/zinc/32/16/62/483321662.db2.gz MAZDBPSUINRVGB-OAHLLOKOSA-N 2 1 365.478 -1.146 20 0 FAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423212417 483321863 /nfs/dbraw/zinc/32/18/63/483321863.db2.gz LULQVJNTDJXKRT-HNNXBMFYSA-N 2 1 365.478 -1.037 20 0 FAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423212418 483321591 /nfs/dbraw/zinc/32/15/91/483321591.db2.gz LULQVJNTDJXKRT-OAHLLOKOSA-N 2 1 365.478 -1.037 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423285649 483321528 /nfs/dbraw/zinc/32/15/28/483321528.db2.gz ZMTKXKYYRNLQJX-CVEARBPZSA-N 2 1 367.494 -1.199 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423285654 483321289 /nfs/dbraw/zinc/32/12/89/483321289.db2.gz ZMTKXKYYRNLQJX-HOTGVXAUSA-N 2 1 367.494 -1.199 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423285656 483320781 /nfs/dbraw/zinc/32/07/81/483320781.db2.gz ZMTKXKYYRNLQJX-HZPDHXFCSA-N 2 1 367.494 -1.199 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423285658 483321215 /nfs/dbraw/zinc/32/12/15/483321215.db2.gz ZMTKXKYYRNLQJX-JKSUJKDBSA-N 2 1 367.494 -1.199 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423303067 483320571 /nfs/dbraw/zinc/32/05/71/483320571.db2.gz KXNSSXXRQKZQPC-AWEZNQCLSA-N 2 1 365.478 -1.003 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000423303069 483321907 /nfs/dbraw/zinc/32/19/07/483321907.db2.gz KXNSSXXRQKZQPC-CQSZACIVSA-N 2 1 365.478 -1.003 20 0 FAADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000423434138 483322916 /nfs/dbraw/zinc/32/29/16/483322916.db2.gz PXGXYMQXAIGKSE-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000423434139 483322844 /nfs/dbraw/zinc/32/28/44/483322844.db2.gz PXGXYMQXAIGKSE-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423510993 483322450 /nfs/dbraw/zinc/32/24/50/483322450.db2.gz ABJDUEVEMVMJLF-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423510993 483322448 /nfs/dbraw/zinc/32/24/48/483322448.db2.gz ABJDUEVEMVMJLF-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423511002 483322370 /nfs/dbraw/zinc/32/23/70/483322370.db2.gz ABJDUEVEMVMJLF-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423511002 483322366 /nfs/dbraw/zinc/32/23/66/483322366.db2.gz ABJDUEVEMVMJLF-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423526009 483322761 /nfs/dbraw/zinc/32/27/61/483322761.db2.gz UVAAJCVDIKPENS-KBPBESRZSA-N 2 1 351.451 -1.299 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423526012 483322931 /nfs/dbraw/zinc/32/29/31/483322931.db2.gz UVAAJCVDIKPENS-UONOGXRCSA-N 2 1 351.451 -1.299 20 0 FAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423528829 483323809 /nfs/dbraw/zinc/32/38/09/483323809.db2.gz WWGMAFNWRPPPPP-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423528830 483323307 /nfs/dbraw/zinc/32/33/07/483323307.db2.gz WWGMAFNWRPPPPP-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423595801 483324439 /nfs/dbraw/zinc/32/44/39/483324439.db2.gz QPSQLQCNZPPXBJ-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423595802 483324685 /nfs/dbraw/zinc/32/46/85/483324685.db2.gz QPSQLQCNZPPXBJ-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000423620745 483325541 /nfs/dbraw/zinc/32/55/41/483325541.db2.gz WULGBRLSYJDTER-UHFFFAOYSA-N 2 1 361.468 -2.548 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423632037 483325503 /nfs/dbraw/zinc/32/55/03/483325503.db2.gz NIOCSDFVDWJEJV-HZSPNIEDSA-N 2 1 353.467 -1.149 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423632037 483325500 /nfs/dbraw/zinc/32/55/00/483325500.db2.gz NIOCSDFVDWJEJV-HZSPNIEDSA-N 2 1 353.467 -1.149 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423632038 483325205 /nfs/dbraw/zinc/32/52/05/483325205.db2.gz NIOCSDFVDWJEJV-MJBXVCDLSA-N 2 1 353.467 -1.149 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423632038 483325202 /nfs/dbraw/zinc/32/52/02/483325202.db2.gz NIOCSDFVDWJEJV-MJBXVCDLSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423643934 483325282 /nfs/dbraw/zinc/32/52/82/483325282.db2.gz XUZVZOKNTGKCMR-AWEZNQCLSA-N 2 1 353.467 -1.148 20 0 FAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423643935 483326104 /nfs/dbraw/zinc/32/61/04/483326104.db2.gz XUZVZOKNTGKCMR-CQSZACIVSA-N 2 1 353.467 -1.148 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C[C@@H]21 ZINC000423654324 483326966 /nfs/dbraw/zinc/32/69/66/483326966.db2.gz AKEIFEQCDYTEJG-ILXRZTDVSA-N 2 1 365.478 -1.005 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C[C@@H]21 ZINC000423654325 483326979 /nfs/dbraw/zinc/32/69/79/483326979.db2.gz AKEIFEQCDYTEJG-KFWWJZLASA-N 2 1 365.478 -1.005 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000424519647 483338639 /nfs/dbraw/zinc/33/86/39/483338639.db2.gz JXJGENXDMZPTRC-UHFFFAOYSA-N 2 1 369.510 -1.033 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424522133 483338540 /nfs/dbraw/zinc/33/85/40/483338540.db2.gz MQSQYPUHRSMMGC-QLFBSQMISA-N 2 1 364.450 -1.490 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424522135 483338458 /nfs/dbraw/zinc/33/84/58/483338458.db2.gz MQSQYPUHRSMMGC-SOUVJXGZSA-N 2 1 364.450 -1.490 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000424531942 483339323 /nfs/dbraw/zinc/33/93/23/483339323.db2.gz XJGUNHOCWHBJTB-UHFFFAOYSA-N 2 1 355.483 -1.423 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424532933 483339568 /nfs/dbraw/zinc/33/95/68/483339568.db2.gz YBHHBGMDDRGXTB-LSDHHAIUSA-N 2 1 366.466 -1.242 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424534855 483339455 /nfs/dbraw/zinc/33/94/55/483339455.db2.gz ZQPNJOQDTSGCFI-LSDHHAIUSA-N 2 1 366.466 -1.242 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424547157 483340511 /nfs/dbraw/zinc/34/05/11/483340511.db2.gz JVAIUOXBIDYWCJ-UONOGXRCSA-N 2 1 352.439 -1.632 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313772 483106760 /nfs/dbraw/zinc/10/67/60/483106760.db2.gz IWXRTEIYSLJTAK-CVEARBPZSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313772 483106753 /nfs/dbraw/zinc/10/67/53/483106753.db2.gz IWXRTEIYSLJTAK-CVEARBPZSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000425313772 483106748 /nfs/dbraw/zinc/10/67/48/483106748.db2.gz IWXRTEIYSLJTAK-CVEARBPZSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313780 483106885 /nfs/dbraw/zinc/10/68/85/483106885.db2.gz IWXRTEIYSLJTAK-HOTGVXAUSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313780 483106883 /nfs/dbraw/zinc/10/68/83/483106883.db2.gz IWXRTEIYSLJTAK-HOTGVXAUSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000425313780 483106877 /nfs/dbraw/zinc/10/68/77/483106877.db2.gz IWXRTEIYSLJTAK-HOTGVXAUSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313783 483107711 /nfs/dbraw/zinc/10/77/11/483107711.db2.gz IWXRTEIYSLJTAK-HZPDHXFCSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313783 483107707 /nfs/dbraw/zinc/10/77/07/483107707.db2.gz IWXRTEIYSLJTAK-HZPDHXFCSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000425313783 483107701 /nfs/dbraw/zinc/10/77/01/483107701.db2.gz IWXRTEIYSLJTAK-HZPDHXFCSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313786 483107603 /nfs/dbraw/zinc/10/76/03/483107603.db2.gz IWXRTEIYSLJTAK-JKSUJKDBSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313786 483107599 /nfs/dbraw/zinc/10/75/99/483107599.db2.gz IWXRTEIYSLJTAK-JKSUJKDBSA-N 2 1 367.494 -1.328 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000425313786 483107594 /nfs/dbraw/zinc/10/75/94/483107594.db2.gz IWXRTEIYSLJTAK-JKSUJKDBSA-N 2 1 367.494 -1.328 20 0 FAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605652 483355114 /nfs/dbraw/zinc/35/51/14/483355114.db2.gz UARMFBRVYCEIQB-DZGCQCFKSA-N 2 1 353.467 -1.148 20 0 FAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605653 483355452 /nfs/dbraw/zinc/35/54/52/483355452.db2.gz UARMFBRVYCEIQB-HIFRSBDPSA-N 2 1 353.467 -1.148 20 0 FAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605654 483355023 /nfs/dbraw/zinc/35/50/23/483355023.db2.gz UARMFBRVYCEIQB-UKRRQHHQSA-N 2 1 353.467 -1.148 20 0 FAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605655 483355076 /nfs/dbraw/zinc/35/50/76/483355076.db2.gz UARMFBRVYCEIQB-ZFWWWQNUSA-N 2 1 353.467 -1.148 20 0 FAADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCC(=O)N1CCCC1 ZINC000430606955 483355017 /nfs/dbraw/zinc/35/50/17/483355017.db2.gz XYENPKZLKLFGGV-HNNXBMFYSA-N 2 1 365.478 -1.131 20 0 FAADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCC(=O)N1CCCC1 ZINC000430606955 483355015 /nfs/dbraw/zinc/35/50/15/483355015.db2.gz XYENPKZLKLFGGV-HNNXBMFYSA-N 2 1 365.478 -1.131 20 0 FAADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCC(=O)N1CCCC1 ZINC000430606956 483355091 /nfs/dbraw/zinc/35/50/91/483355091.db2.gz XYENPKZLKLFGGV-OAHLLOKOSA-N 2 1 365.478 -1.131 20 0 FAADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCC(=O)N1CCCC1 ZINC000430606956 483355087 /nfs/dbraw/zinc/35/50/87/483355087.db2.gz XYENPKZLKLFGGV-OAHLLOKOSA-N 2 1 365.478 -1.131 20 0 FAADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000430608182 483355625 /nfs/dbraw/zinc/35/56/25/483355625.db2.gz DSNFVUPVMHSSOT-GFCCVEGCSA-N 2 1 358.468 -1.515 20 0 FAADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000430608184 483355817 /nfs/dbraw/zinc/35/58/17/483355817.db2.gz DSNFVUPVMHSSOT-LBPRGKRZSA-N 2 1 358.468 -1.515 20 0 FAADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430614950 483355636 /nfs/dbraw/zinc/35/56/36/483355636.db2.gz AOGNQEBMGBOGOC-CYBMUJFWSA-N 2 1 350.485 -1.271 20 0 FAADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614953 483355490 /nfs/dbraw/zinc/35/54/90/483355490.db2.gz AOGNQEBMGBOGOC-ZDUSSCGKSA-N 2 1 350.485 -1.271 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430615813 483355033 /nfs/dbraw/zinc/35/50/33/483355033.db2.gz DFKQLFJRUBJPHN-INIZCTEOSA-N 2 1 365.478 -1.179 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430615814 483355211 /nfs/dbraw/zinc/35/52/11/483355211.db2.gz DFKQLFJRUBJPHN-MRXNPFEDSA-N 2 1 365.478 -1.179 20 0 FAADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620791 483355187 /nfs/dbraw/zinc/35/51/87/483355187.db2.gz CBVLMZQPIHYSEH-CABCVRRESA-N 2 1 365.478 -1.146 20 0 FAADMP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620792 483355411 /nfs/dbraw/zinc/35/54/11/483355411.db2.gz CBVLMZQPIHYSEH-GJZGRUSLSA-N 2 1 365.478 -1.146 20 0 FAADMP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620793 483355276 /nfs/dbraw/zinc/35/52/76/483355276.db2.gz CBVLMZQPIHYSEH-HUUCEWRRSA-N 2 1 365.478 -1.146 20 0 FAADMP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620794 483355694 /nfs/dbraw/zinc/35/56/94/483355694.db2.gz CBVLMZQPIHYSEH-LSDHHAIUSA-N 2 1 365.478 -1.146 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621127 483355823 /nfs/dbraw/zinc/35/58/23/483355823.db2.gz CZMGUPOLGKHISY-INIZCTEOSA-N 2 1 369.510 -1.177 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621128 483355855 /nfs/dbraw/zinc/35/58/55/483355855.db2.gz CZMGUPOLGKHISY-MRXNPFEDSA-N 2 1 369.510 -1.177 20 0 FAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430623926 483355868 /nfs/dbraw/zinc/35/58/68/483355868.db2.gz HKSYGFWFRWSUCP-KBPBESRZSA-N 2 1 369.466 -1.009 20 0 FAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430623927 483355102 /nfs/dbraw/zinc/35/51/02/483355102.db2.gz HKSYGFWFRWSUCP-KGLIPLIRSA-N 2 1 369.466 -1.009 20 0 FAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430623928 483355765 /nfs/dbraw/zinc/35/57/65/483355765.db2.gz HKSYGFWFRWSUCP-UONOGXRCSA-N 2 1 369.466 -1.009 20 0 FAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430623929 483355726 /nfs/dbraw/zinc/35/57/26/483355726.db2.gz HKSYGFWFRWSUCP-ZIAGYGMSSA-N 2 1 369.466 -1.009 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430633871 483355261 /nfs/dbraw/zinc/35/52/61/483355261.db2.gz QONQIHSFXDTZBI-AWEZNQCLSA-N 2 1 353.467 -1.098 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430633873 483355654 /nfs/dbraw/zinc/35/56/54/483355654.db2.gz QONQIHSFXDTZBI-CQSZACIVSA-N 2 1 353.467 -1.098 20 0 FAADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430635387 483355170 /nfs/dbraw/zinc/35/51/70/483355170.db2.gz GUJBDYORYVRBCZ-CHWSQXEVSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430635389 483355054 /nfs/dbraw/zinc/35/50/54/483355054.db2.gz GUJBDYORYVRBCZ-OLZOCXBDSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430635390 483355518 /nfs/dbraw/zinc/35/55/18/483355518.db2.gz GUJBDYORYVRBCZ-QWHCGFSZSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430635392 483355715 /nfs/dbraw/zinc/35/57/15/483355715.db2.gz GUJBDYORYVRBCZ-STQMWFEESA-N 2 1 353.467 -1.101 20 0 FAADMP Cn1c2ncn(CC[N@@H+](C)CC(=O)N3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000430642825 483355847 /nfs/dbraw/zinc/35/58/47/483355847.db2.gz PGMMXMOFCIVIJO-UHFFFAOYSA-N 2 1 363.422 -2.203 20 0 FAADMP Cn1c2ncn(CC[N@H+](C)CC(=O)N3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000430642825 483355845 /nfs/dbraw/zinc/35/58/45/483355845.db2.gz PGMMXMOFCIVIJO-UHFFFAOYSA-N 2 1 363.422 -2.203 20 0 FAADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430644158 483355809 /nfs/dbraw/zinc/35/58/09/483355809.db2.gz TUYBZQRFYJRMCD-HZSPNIEDSA-N 2 1 353.467 -1.114 20 0 FAADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430644163 483355004 /nfs/dbraw/zinc/35/50/04/483355004.db2.gz TUYBZQRFYJRMCD-MCIONIFRSA-N 2 1 353.467 -1.114 20 0 FAADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430644166 483355794 /nfs/dbraw/zinc/35/57/94/483355794.db2.gz TUYBZQRFYJRMCD-MGPQQGTHSA-N 2 1 353.467 -1.114 20 0 FAADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430644169 483355476 /nfs/dbraw/zinc/35/54/76/483355476.db2.gz TUYBZQRFYJRMCD-RDBSUJKOSA-N 2 1 353.467 -1.114 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430645498 483355372 /nfs/dbraw/zinc/35/53/72/483355372.db2.gz CPTRGSREQAGILU-HNNXBMFYSA-N 2 1 365.478 -1.146 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000430645500 483356281 /nfs/dbraw/zinc/35/62/81/483356281.db2.gz CPTRGSREQAGILU-OAHLLOKOSA-N 2 1 365.478 -1.146 20 0 FAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430655124 483357206 /nfs/dbraw/zinc/35/72/06/483357206.db2.gz REICVCNFDSFDFY-CABCVRRESA-N 2 1 353.467 -1.100 20 0 FAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430655125 483357136 /nfs/dbraw/zinc/35/71/36/483357136.db2.gz REICVCNFDSFDFY-GJZGRUSLSA-N 2 1 353.467 -1.100 20 0 FAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430655126 483356492 /nfs/dbraw/zinc/35/64/92/483356492.db2.gz REICVCNFDSFDFY-HUUCEWRRSA-N 2 1 353.467 -1.100 20 0 FAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430655127 483357114 /nfs/dbraw/zinc/35/71/14/483357114.db2.gz REICVCNFDSFDFY-LSDHHAIUSA-N 2 1 353.467 -1.100 20 0 FAADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672165 483356866 /nfs/dbraw/zinc/35/68/66/483356866.db2.gz YZHFBMXOINSOIP-KBPBESRZSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672165 483356863 /nfs/dbraw/zinc/35/68/63/483356863.db2.gz YZHFBMXOINSOIP-KBPBESRZSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672166 483356218 /nfs/dbraw/zinc/35/62/18/483356218.db2.gz YZHFBMXOINSOIP-KGLIPLIRSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672166 483356213 /nfs/dbraw/zinc/35/62/13/483356213.db2.gz YZHFBMXOINSOIP-KGLIPLIRSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672167 483356436 /nfs/dbraw/zinc/35/64/36/483356436.db2.gz YZHFBMXOINSOIP-UONOGXRCSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672167 483356433 /nfs/dbraw/zinc/35/64/33/483356433.db2.gz YZHFBMXOINSOIP-UONOGXRCSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672168 483356782 /nfs/dbraw/zinc/35/67/82/483356782.db2.gz YZHFBMXOINSOIP-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N(C)C ZINC000430672168 483356777 /nfs/dbraw/zinc/35/67/77/483356777.db2.gz YZHFBMXOINSOIP-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000430866029 483357011 /nfs/dbraw/zinc/35/70/11/483357011.db2.gz FTPQYIDSFWLMLJ-AWEZNQCLSA-N 2 1 350.423 -1.026 20 0 FAADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@@H]3C[NH2+]CCO3)cn2)CC1 ZINC000430866030 483356373 /nfs/dbraw/zinc/35/63/73/483356373.db2.gz FTPQYIDSFWLMLJ-CQSZACIVSA-N 2 1 350.423 -1.026 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000434328663 483362280 /nfs/dbraw/zinc/36/22/80/483362280.db2.gz VKLAMYKMWJOQJR-PBHICJAKSA-N 2 1 356.467 -1.404 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000434328664 483362142 /nfs/dbraw/zinc/36/21/42/483362142.db2.gz VKLAMYKMWJOQJR-RHSMWYFYSA-N 2 1 356.467 -1.404 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000434328665 483361975 /nfs/dbraw/zinc/36/19/75/483361975.db2.gz VKLAMYKMWJOQJR-WMLDXEAASA-N 2 1 356.467 -1.404 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000434328666 483362185 /nfs/dbraw/zinc/36/21/85/483362185.db2.gz VKLAMYKMWJOQJR-YOEHRIQHSA-N 2 1 356.467 -1.404 20 0 FAADMP O=C(C[NH+](CCO)C1CC1)N1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000434577033 483363230 /nfs/dbraw/zinc/36/32/30/483363230.db2.gz WFFDELZDXSNBLC-UHFFFAOYSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+](CCO)C1CC1)N1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000434577033 483363227 /nfs/dbraw/zinc/36/32/27/483363227.db2.gz WFFDELZDXSNBLC-UHFFFAOYSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+]1CCC[C@H](O)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000434696693 483363866 /nfs/dbraw/zinc/36/38/66/483363866.db2.gz GWKFUEOHKIYJOK-HOTGVXAUSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+]1CCC[C@@H]1CO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000434803268 483365464 /nfs/dbraw/zinc/36/54/64/483365464.db2.gz AFLUOWVQVMCCBS-HZPDHXFCSA-N 2 1 368.478 -1.429 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436047034 483367389 /nfs/dbraw/zinc/36/73/89/483367389.db2.gz CCOCNQRIZOEZLJ-HNNXBMFYSA-N 2 1 353.467 -1.003 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436047034 483367386 /nfs/dbraw/zinc/36/73/86/483367386.db2.gz CCOCNQRIZOEZLJ-HNNXBMFYSA-N 2 1 353.467 -1.003 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436047039 483367678 /nfs/dbraw/zinc/36/76/78/483367678.db2.gz CCOCNQRIZOEZLJ-OAHLLOKOSA-N 2 1 353.467 -1.003 20 0 FAADMP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436047039 483367677 /nfs/dbraw/zinc/36/76/77/483367677.db2.gz CCOCNQRIZOEZLJ-OAHLLOKOSA-N 2 1 353.467 -1.003 20 0 FAADMP O=C(C[NH+]1CCC[C@H]1CO)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000436204051 483367168 /nfs/dbraw/zinc/36/71/68/483367168.db2.gz AFLUOWVQVMCCBS-HOTGVXAUSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+]1CCC[C@@H]1CO)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000436204052 483366937 /nfs/dbraw/zinc/36/69/37/483366937.db2.gz AFLUOWVQVMCCBS-IYBDPMFKSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+]1CCC[C@@H]1CO)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000436204052 483366933 /nfs/dbraw/zinc/36/69/33/483366933.db2.gz AFLUOWVQVMCCBS-IYBDPMFKSA-N 2 1 368.478 -1.429 20 0 FAADMP O=C(C[NH+]1CCC[C@H]1CO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000436204052 483366929 /nfs/dbraw/zinc/36/69/29/483366929.db2.gz AFLUOWVQVMCCBS-IYBDPMFKSA-N 2 1 368.478 -1.429 20 0 FAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)n1 ZINC000446771809 483758049 /nfs/dbraw/zinc/75/80/49/483758049.db2.gz YIUXDMXDSIIWEG-UHFFFAOYSA-N 2 1 354.480 -0.452 20 0 FAADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCOCC1 ZINC000446776868 483777022 /nfs/dbraw/zinc/77/70/22/483777022.db2.gz PRZVODGABGKVAU-AWEZNQCLSA-N 2 1 366.466 -0.532 20 0 FAADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCOCC1 ZINC000446776870 483758593 /nfs/dbraw/zinc/75/85/93/483758593.db2.gz PRZVODGABGKVAU-CQSZACIVSA-N 2 1 366.466 -0.532 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000446784477 483768515 /nfs/dbraw/zinc/76/85/15/483768515.db2.gz NARPSUPAOVLJES-CYBMUJFWSA-N 2 1 352.439 -0.780 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000446784479 483768509 /nfs/dbraw/zinc/76/85/09/483768509.db2.gz NARPSUPAOVLJES-ZDUSSCGKSA-N 2 1 352.439 -0.780 20 0 FAADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446794927 483774983 /nfs/dbraw/zinc/77/49/83/483774983.db2.gz FGIZIWWUPQVVGJ-AWEZNQCLSA-N 2 1 366.466 -0.702 20 0 FAADMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446794929 483775543 /nfs/dbraw/zinc/77/55/43/483775543.db2.gz FGIZIWWUPQVVGJ-CQSZACIVSA-N 2 1 366.466 -0.702 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000459868568 483398481 /nfs/dbraw/zinc/39/84/81/483398481.db2.gz PDCGOFQKFYOSMF-INIZCTEOSA-N 2 1 370.494 -1.062 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000459868570 483398055 /nfs/dbraw/zinc/39/80/55/483398055.db2.gz PDCGOFQKFYOSMF-MRXNPFEDSA-N 2 1 370.494 -1.062 20 0 FAADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000459892255 483400969 /nfs/dbraw/zinc/40/09/69/483400969.db2.gz DLNNXRDWXNMRJD-AWEZNQCLSA-N 2 1 353.467 -1.229 20 0 FAADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000459892258 483401078 /nfs/dbraw/zinc/40/10/78/483401078.db2.gz DLNNXRDWXNMRJD-CQSZACIVSA-N 2 1 353.467 -1.229 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1=O ZINC000469114253 483418828 /nfs/dbraw/zinc/41/88/28/483418828.db2.gz RRFYIJLRBIJTJL-KBPBESRZSA-N 2 1 353.467 -1.148 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1=O ZINC000469114306 483418305 /nfs/dbraw/zinc/41/83/05/483418305.db2.gz RRFYIJLRBIJTJL-KGLIPLIRSA-N 2 1 353.467 -1.148 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1=O ZINC000469114387 483418888 /nfs/dbraw/zinc/41/88/88/483418888.db2.gz RRFYIJLRBIJTJL-UONOGXRCSA-N 2 1 353.467 -1.148 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1=O ZINC000469114575 483418322 /nfs/dbraw/zinc/41/83/22/483418322.db2.gz RRFYIJLRBIJTJL-ZIAGYGMSSA-N 2 1 353.467 -1.148 20 0 FAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000469504525 483419849 /nfs/dbraw/zinc/41/98/49/483419849.db2.gz GTHTVQDGUCLIOH-AWEZNQCLSA-N 2 1 353.467 -1.323 20 0 FAADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000469504526 483419801 /nfs/dbraw/zinc/41/98/01/483419801.db2.gz GTHTVQDGUCLIOH-CQSZACIVSA-N 2 1 353.467 -1.323 20 0 FAADMP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@H](C)C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000480418046 483443667 /nfs/dbraw/zinc/44/36/67/483443667.db2.gz NYFVELYCTUHPTD-DFEHZGFQSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@H](C)C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000480418046 483443661 /nfs/dbraw/zinc/44/36/61/483443661.db2.gz NYFVELYCTUHPTD-DFEHZGFQSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@H](C(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000480418046 483443656 /nfs/dbraw/zinc/44/36/56/483443656.db2.gz NYFVELYCTUHPTD-DFEHZGFQSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@H](C(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000480418051 483443929 /nfs/dbraw/zinc/44/39/29/483443929.db2.gz NYFVELYCTUHPTD-LBTBCDHLSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000480418053 483443818 /nfs/dbraw/zinc/44/38/18/483443818.db2.gz NYFVELYCTUHPTD-LTCOOKNTSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000480418053 483443813 /nfs/dbraw/zinc/44/38/13/483443813.db2.gz NYFVELYCTUHPTD-LTCOOKNTSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000480418053 483443808 /nfs/dbraw/zinc/44/38/08/483443808.db2.gz NYFVELYCTUHPTD-LTCOOKNTSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000480418055 483443732 /nfs/dbraw/zinc/44/37/32/483443732.db2.gz NYFVELYCTUHPTD-PURYLZLUSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@@]1(O)CC[NH+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000480418055 483443726 /nfs/dbraw/zinc/44/37/26/483443726.db2.gz NYFVELYCTUHPTD-PURYLZLUSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000480418055 483443719 /nfs/dbraw/zinc/44/37/19/483443719.db2.gz NYFVELYCTUHPTD-PURYLZLUSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](C)(O)C3)CC2)C1 ZINC000483051714 483449567 /nfs/dbraw/zinc/44/95/67/483449567.db2.gz UNYJNXQYUQEQJQ-HDICACEKSA-N 2 1 368.478 -1.429 20 0 FAADMP C[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(O)C3)CC2)C1 ZINC000483051714 483449562 /nfs/dbraw/zinc/44/95/62/483449562.db2.gz UNYJNXQYUQEQJQ-HDICACEKSA-N 2 1 368.478 -1.429 20 0 FAADMP C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@](C)(O)C3)CC2)C1 ZINC000483051714 483449559 /nfs/dbraw/zinc/44/95/59/483449559.db2.gz UNYJNXQYUQEQJQ-HDICACEKSA-N 2 1 368.478 -1.429 20 0 FAADMP C[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)C1 ZINC000483051717 483450431 /nfs/dbraw/zinc/45/04/31/483450431.db2.gz UNYJNXQYUQEQJQ-QZTJIDSGSA-N 2 1 368.478 -1.429 20 0 FAADMP C[C@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(O)C3)CC2)C1 ZINC000483051720 483449509 /nfs/dbraw/zinc/44/95/09/483449509.db2.gz UNYJNXQYUQEQJQ-ROUUACIJSA-N 2 1 368.478 -1.429 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000485374725 483456051 /nfs/dbraw/zinc/45/60/51/483456051.db2.gz CXLAJLQOUYRROO-HNNXBMFYSA-N 2 1 363.466 -1.111 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000485374726 272880888 /nfs/dbraw/zinc/88/08/88/272880888.db2.gz CXLAJLQOUYRROO-OAHLLOKOSA-N 2 1 363.466 -1.111 20 0 FAADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000485541438 483456709 /nfs/dbraw/zinc/45/67/09/483456709.db2.gz YFKHZJJXZHKALZ-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000485541438 483456706 /nfs/dbraw/zinc/45/67/06/483456706.db2.gz YFKHZJJXZHKALZ-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000485541438 483456702 /nfs/dbraw/zinc/45/67/02/483456702.db2.gz YFKHZJJXZHKALZ-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000485541445 483457524 /nfs/dbraw/zinc/45/75/24/483457524.db2.gz YFKHZJJXZHKALZ-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000485541445 483457521 /nfs/dbraw/zinc/45/75/21/483457521.db2.gz YFKHZJJXZHKALZ-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000485541445 483457518 /nfs/dbraw/zinc/45/75/18/483457518.db2.gz YFKHZJJXZHKALZ-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485600536 483456666 /nfs/dbraw/zinc/45/66/66/483456666.db2.gz MKYIUAAHKGWAKD-UHFFFAOYSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485600536 483456664 /nfs/dbraw/zinc/45/66/64/483456664.db2.gz MKYIUAAHKGWAKD-UHFFFAOYSA-N 2 1 353.467 -1.134 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000485605983 483457308 /nfs/dbraw/zinc/45/73/08/483457308.db2.gz YILLNDPAUYZGHI-UHFFFAOYSA-N 2 1 365.478 -1.037 20 0 FAADMP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCN1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466099 /nfs/dbraw/zinc/46/60/99/483466099.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 1 368.525 -1.118 20 0 FAADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCCN1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466098 /nfs/dbraw/zinc/46/60/98/483466098.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 1 368.525 -1.118 20 0 FAADMP NS(=O)(=O)C[C@H]1CCCN1CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466095 /nfs/dbraw/zinc/46/60/95/483466095.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 1 368.525 -1.118 20 0 FAADMP NS(=O)(=O)C[C@H]1CCCN1CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000489661883 483465886 /nfs/dbraw/zinc/46/58/86/483465886.db2.gz ZBSMLXRCZXWQRJ-CHWSQXEVSA-N 2 1 368.525 -1.118 20 0 FAADMP NS(=O)(=O)C[C@@H]1CCCN1CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661885 483466487 /nfs/dbraw/zinc/46/64/87/483466487.db2.gz ZBSMLXRCZXWQRJ-STQMWFEESA-N 2 1 368.525 -1.118 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496327386 483475272 /nfs/dbraw/zinc/47/52/72/483475272.db2.gz LLCCJHQAWYTBSX-UHFFFAOYSA-N 2 1 357.499 -1.177 20 0 FAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498438891 483449821 /nfs/dbraw/zinc/44/98/21/483449821.db2.gz JALDOXRARZSXLZ-UHFFFAOYSA-N 2 1 353.423 -1.109 20 0 FAADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000500452606 483483568 /nfs/dbraw/zinc/48/35/68/483483568.db2.gz BPJHASDMSRTFHU-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP O=C(CO)N1CC[NH+](CCCCC[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000503145428 657384823 /nfs/dbraw/zinc/38/48/23/657384823.db2.gz JYPXZXQDSIQHDV-UHFFFAOYSA-N 2 1 356.467 -1.570 20 0 FAADMP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504445975 483494859 /nfs/dbraw/zinc/49/48/59/483494859.db2.gz MJVNHKVSRVRILQ-CYBMUJFWSA-N 2 1 360.480 -1.063 20 0 FAADMP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504445976 483495242 /nfs/dbraw/zinc/49/52/42/483495242.db2.gz MJVNHKVSRVRILQ-ZDUSSCGKSA-N 2 1 360.480 -1.063 20 0 FAADMP C[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N(C)C ZINC000507444169 483501189 /nfs/dbraw/zinc/50/11/89/483501189.db2.gz ZTXJGMHUGPRMCR-CYBMUJFWSA-N 2 1 355.483 -1.031 20 0 FAADMP C[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N(C)C ZINC000507444171 483500622 /nfs/dbraw/zinc/50/06/22/483500622.db2.gz ZTXJGMHUGPRMCR-ZDUSSCGKSA-N 2 1 355.483 -1.031 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)C[C@@H]1O ZINC000509081817 483505308 /nfs/dbraw/zinc/50/53/08/483505308.db2.gz UQELUMYPGWDEHU-FZKCQIBNSA-N 2 1 368.478 -1.718 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)C[C@H]1O ZINC000509081818 483504650 /nfs/dbraw/zinc/50/46/50/483504650.db2.gz UQELUMYPGWDEHU-GEEKYZPCSA-N 2 1 368.478 -1.718 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)C[C@H]1O ZINC000509081819 483504321 /nfs/dbraw/zinc/50/43/21/483504321.db2.gz UQELUMYPGWDEHU-QKPAOTATSA-N 2 1 368.478 -1.718 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)C[C@@H]1O ZINC000509081820 483504779 /nfs/dbraw/zinc/50/47/79/483504779.db2.gz UQELUMYPGWDEHU-SYMSYNOKSA-N 2 1 368.478 -1.718 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000509722385 483507068 /nfs/dbraw/zinc/50/70/68/483507068.db2.gz RNKFPFFCWNNZSX-UHFFFAOYSA-N 2 1 358.483 -1.014 20 0 FAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000509722385 483507063 /nfs/dbraw/zinc/50/70/63/483507063.db2.gz RNKFPFFCWNNZSX-UHFFFAOYSA-N 2 1 358.483 -1.014 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510368375 483509512 /nfs/dbraw/zinc/50/95/12/483509512.db2.gz YUXANGUKXAQMFK-CYBMUJFWSA-N 2 1 353.467 -1.277 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510368376 483509695 /nfs/dbraw/zinc/50/96/95/483509695.db2.gz YUXANGUKXAQMFK-ZDUSSCGKSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1)C1(CO)CC1 ZINC000512834845 483517233 /nfs/dbraw/zinc/51/72/33/483517233.db2.gz UNOCCWOTJLONIK-UHFFFAOYSA-N 2 1 368.478 -1.429 20 0 FAADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1)C1(CO)CC1 ZINC000512834845 483517230 /nfs/dbraw/zinc/51/72/30/483517230.db2.gz UNOCCWOTJLONIK-UHFFFAOYSA-N 2 1 368.478 -1.429 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000514114024 483194356 /nfs/dbraw/zinc/19/43/56/483194356.db2.gz BOUUKCIXSXUJSM-CABCVRRESA-N 2 1 374.507 -1.762 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000514114025 483194257 /nfs/dbraw/zinc/19/42/57/483194257.db2.gz BOUUKCIXSXUJSM-GJZGRUSLSA-N 2 1 374.507 -1.762 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000514114026 483193829 /nfs/dbraw/zinc/19/38/29/483193829.db2.gz BOUUKCIXSXUJSM-HUUCEWRRSA-N 2 1 374.507 -1.762 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000514114027 483194205 /nfs/dbraw/zinc/19/42/05/483194205.db2.gz BOUUKCIXSXUJSM-LSDHHAIUSA-N 2 1 374.507 -1.762 20 0 FAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514824632 483344643 /nfs/dbraw/zinc/34/46/43/483344643.db2.gz XOVOPOCAPUUFFL-GFCCVEGCSA-N 2 1 360.484 -2.481 20 0 FAADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514824633 483344455 /nfs/dbraw/zinc/34/44/55/483344455.db2.gz XOVOPOCAPUUFFL-LBPRGKRZSA-N 2 1 360.484 -2.481 20 0 FAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516062892 483347809 /nfs/dbraw/zinc/34/78/09/483347809.db2.gz IZSUTTNCJUGDQI-CYBMUJFWSA-N 2 1 373.479 -2.310 20 0 FAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516062893 483347726 /nfs/dbraw/zinc/34/77/26/483347726.db2.gz IZSUTTNCJUGDQI-ZDUSSCGKSA-N 2 1 373.479 -2.310 20 0 FAADMP O=C(CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000516434842 483348483 /nfs/dbraw/zinc/34/84/83/483348483.db2.gz PRRQPSDQTUWXHP-UHFFFAOYSA-N 2 1 373.457 -1.291 20 0 FAADMP O=C(CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000516434842 483348478 /nfs/dbraw/zinc/34/84/78/483348478.db2.gz PRRQPSDQTUWXHP-UHFFFAOYSA-N 2 1 373.457 -1.291 20 0 FAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000516759670 483521210 /nfs/dbraw/zinc/52/12/10/483521210.db2.gz WSJMMNFBOSNHJZ-HNNXBMFYSA-N 2 1 365.478 -1.037 20 0 FAADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000516759670 483521204 /nfs/dbraw/zinc/52/12/04/483521204.db2.gz WSJMMNFBOSNHJZ-HNNXBMFYSA-N 2 1 365.478 -1.037 20 0 FAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000516759671 483521636 /nfs/dbraw/zinc/52/16/36/483521636.db2.gz WSJMMNFBOSNHJZ-OAHLLOKOSA-N 2 1 365.478 -1.037 20 0 FAADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000516759671 483521629 /nfs/dbraw/zinc/52/16/29/483521629.db2.gz WSJMMNFBOSNHJZ-OAHLLOKOSA-N 2 1 365.478 -1.037 20 0 FAADMP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517042336 483521917 /nfs/dbraw/zinc/52/19/17/483521917.db2.gz RHIMPKXSROZMIH-UHFFFAOYSA-N 2 1 363.466 -1.088 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000517966534 482622055 /nfs/dbraw/zinc/62/20/55/482622055.db2.gz XXDHKWXIROUBKU-QLFBSQMISA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000517966535 482621638 /nfs/dbraw/zinc/62/16/38/482621638.db2.gz XXDHKWXIROUBKU-RBSFLKMASA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000517966536 482621901 /nfs/dbraw/zinc/62/19/01/482621901.db2.gz XXDHKWXIROUBKU-RRFJBIMHSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000517966537 482621440 /nfs/dbraw/zinc/62/14/40/482621440.db2.gz XXDHKWXIROUBKU-SOUVJXGZSA-N 2 1 363.462 -1.110 20 0 FAADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000519047542 483135996 /nfs/dbraw/zinc/13/59/96/483135996.db2.gz XYWCCEUVMTZQCN-INIZCTEOSA-N 2 1 367.494 -1.375 20 0 FAADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000519047543 483136163 /nfs/dbraw/zinc/13/61/63/483136163.db2.gz XYWCCEUVMTZQCN-MRXNPFEDSA-N 2 1 367.494 -1.375 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000519189910 483137287 /nfs/dbraw/zinc/13/72/87/483137287.db2.gz OLGNTLQGRLWHSL-UHFFFAOYSA-N 2 1 353.467 -1.181 20 0 FAADMP CC(C)([NH3+])c1nocc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000519698813 483143600 /nfs/dbraw/zinc/14/36/00/483143600.db2.gz BMTGHPIWZKEULT-UHFFFAOYSA-N 2 1 357.436 -1.072 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000519713616 483143634 /nfs/dbraw/zinc/14/36/34/483143634.db2.gz XZIPROXZWPSOSV-UHFFFAOYSA-N 2 1 353.467 -1.146 20 0 FAADMP [NH3+]CCCn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000519762040 483143170 /nfs/dbraw/zinc/14/31/70/483143170.db2.gz AKNNNDJFYAZCJZ-UHFFFAOYSA-N 2 1 357.440 -2.314 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000519814757 483143484 /nfs/dbraw/zinc/14/34/84/483143484.db2.gz ZXVJISCJVXNSAK-UHFFFAOYSA-N 2 1 361.446 -1.217 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000521039838 272893296 /nfs/dbraw/zinc/89/32/96/272893296.db2.gz QZKKTPMPVVPGNR-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000521039841 482536814 /nfs/dbraw/zinc/53/68/14/482536814.db2.gz QZKKTPMPVVPGNR-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000523481459 483534969 /nfs/dbraw/zinc/53/49/69/483534969.db2.gz AGDUBJDCMRSYJG-AWEZNQCLSA-N 2 1 368.482 -1.211 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000523481459 483534963 /nfs/dbraw/zinc/53/49/63/483534963.db2.gz AGDUBJDCMRSYJG-AWEZNQCLSA-N 2 1 368.482 -1.211 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000523481460 483535427 /nfs/dbraw/zinc/53/54/27/483535427.db2.gz AGDUBJDCMRSYJG-CQSZACIVSA-N 2 1 368.482 -1.211 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000523481460 483535423 /nfs/dbraw/zinc/53/54/23/483535423.db2.gz AGDUBJDCMRSYJG-CQSZACIVSA-N 2 1 368.482 -1.211 20 0 FAADMP CC(=O)NCC(=O)N1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528733580 483548796 /nfs/dbraw/zinc/54/87/96/483548796.db2.gz CEYNXCKERLKWFT-UHFFFAOYSA-N 2 1 353.467 -1.179 20 0 FAADMP CC(=O)NCC(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528733580 483548793 /nfs/dbraw/zinc/54/87/93/483548793.db2.gz CEYNXCKERLKWFT-UHFFFAOYSA-N 2 1 353.467 -1.179 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529307116 483551334 /nfs/dbraw/zinc/55/13/34/483551334.db2.gz PTLRBZRYFRYEMM-HNNXBMFYSA-N 2 1 367.498 -1.415 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529307118 483550804 /nfs/dbraw/zinc/55/08/04/483550804.db2.gz PTLRBZRYFRYEMM-OAHLLOKOSA-N 2 1 367.498 -1.415 20 0 FAADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000529352632 483550287 /nfs/dbraw/zinc/55/02/87/483550287.db2.gz ZHHSMTOPUBGMLL-CYBMUJFWSA-N 2 1 357.480 -1.100 20 0 FAADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000529352634 483551021 /nfs/dbraw/zinc/55/10/21/483551021.db2.gz ZHHSMTOPUBGMLL-ZDUSSCGKSA-N 2 1 357.480 -1.100 20 0 FAADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1)C1CC(O)C1 ZINC000544749521 483577345 /nfs/dbraw/zinc/57/73/45/483577345.db2.gz AYWVPWUVJBBSLZ-UHFFFAOYSA-N 2 1 368.478 -1.433 20 0 FAADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1)C1CC(O)C1 ZINC000544749521 483577341 /nfs/dbraw/zinc/57/73/41/483577341.db2.gz AYWVPWUVJBBSLZ-UHFFFAOYSA-N 2 1 368.478 -1.433 20 0 FAADMP CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1)C1CC(O)C1 ZINC000544749521 483577338 /nfs/dbraw/zinc/57/73/38/483577338.db2.gz AYWVPWUVJBBSLZ-UHFFFAOYSA-N 2 1 368.478 -1.433 20 0 FAADMP CN(CC(=O)N1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1)C1CC(O)C1 ZINC000544749521 483577335 /nfs/dbraw/zinc/57/73/35/483577335.db2.gz AYWVPWUVJBBSLZ-UHFFFAOYSA-N 2 1 368.478 -1.433 20 0 FAADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000545173404 483579337 /nfs/dbraw/zinc/57/93/37/483579337.db2.gz ZOERAIJROAQWIZ-CRAIPNDOSA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000545173404 483579335 /nfs/dbraw/zinc/57/93/35/483579335.db2.gz ZOERAIJROAQWIZ-CRAIPNDOSA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000545173405 483579585 /nfs/dbraw/zinc/57/95/85/483579585.db2.gz ZOERAIJROAQWIZ-MAUKXSAKSA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000545173405 483579581 /nfs/dbraw/zinc/57/95/81/483579581.db2.gz ZOERAIJROAQWIZ-MAUKXSAKSA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000545173406 483579465 /nfs/dbraw/zinc/57/94/65/483579465.db2.gz ZOERAIJROAQWIZ-QAPCUYQASA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000545173406 483579462 /nfs/dbraw/zinc/57/94/62/483579462.db2.gz ZOERAIJROAQWIZ-QAPCUYQASA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000545173407 483578535 /nfs/dbraw/zinc/57/85/35/483578535.db2.gz ZOERAIJROAQWIZ-YJBOKZPZSA-N 2 1 368.478 -1.118 20 0 FAADMP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000545173407 483578533 /nfs/dbraw/zinc/57/85/33/483578533.db2.gz ZOERAIJROAQWIZ-YJBOKZPZSA-N 2 1 368.478 -1.118 20 0 FAADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550042103 483597042 /nfs/dbraw/zinc/59/70/42/483597042.db2.gz PUDVQUPKWRDXHQ-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550275933 483597371 /nfs/dbraw/zinc/59/73/71/483597371.db2.gz CYSIONNJZSNRKD-CVEARBPZSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550275935 483596830 /nfs/dbraw/zinc/59/68/30/483596830.db2.gz CYSIONNJZSNRKD-HOTGVXAUSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550275936 483597213 /nfs/dbraw/zinc/59/72/13/483597213.db2.gz CYSIONNJZSNRKD-HZPDHXFCSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550275937 483596858 /nfs/dbraw/zinc/59/68/58/483596858.db2.gz CYSIONNJZSNRKD-JKSUJKDBSA-N 2 1 369.510 -1.179 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000550363406 483597327 /nfs/dbraw/zinc/59/73/27/483597327.db2.gz MPLIEOYSMDVIJZ-AWEZNQCLSA-N 2 1 355.483 -1.425 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000550363407 483596275 /nfs/dbraw/zinc/59/62/75/483596275.db2.gz MPLIEOYSMDVIJZ-CQSZACIVSA-N 2 1 355.483 -1.425 20 0 FAADMP CC[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000550671649 483598494 /nfs/dbraw/zinc/59/84/94/483598494.db2.gz KLKXXAXQAYZBTH-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000550671649 483598489 /nfs/dbraw/zinc/59/84/89/483598489.db2.gz KLKXXAXQAYZBTH-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550674593 657946412 /nfs/dbraw/zinc/94/64/12/657946412.db2.gz MFSXLDZPIBDNGH-UHFFFAOYSA-N 2 1 353.467 -1.179 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550677739 657947775 /nfs/dbraw/zinc/94/77/75/657947775.db2.gz VEPGVEIJUASKEI-UHFFFAOYSA-N 2 1 357.455 -2.039 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550807614 657949210 /nfs/dbraw/zinc/94/92/10/657949210.db2.gz DJWJHZMFUPVQTC-AWEZNQCLSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550807615 657949664 /nfs/dbraw/zinc/94/96/64/657949664.db2.gz DJWJHZMFUPVQTC-CQSZACIVSA-N 2 1 353.467 -1.134 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550839166 483599784 /nfs/dbraw/zinc/59/97/84/483599784.db2.gz UAMUMSKADDQBSK-BBRMVZONSA-N 2 1 357.524 -1.098 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550839167 483600363 /nfs/dbraw/zinc/60/03/63/483600363.db2.gz UAMUMSKADDQBSK-CJNGLKHVSA-N 2 1 357.524 -1.098 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550839168 483600888 /nfs/dbraw/zinc/60/08/88/483600888.db2.gz UAMUMSKADDQBSK-CZUORRHYSA-N 2 1 357.524 -1.098 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550839169 483599484 /nfs/dbraw/zinc/59/94/84/483599484.db2.gz UAMUMSKADDQBSK-XJKSGUPXSA-N 2 1 357.524 -1.098 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551030266 483599632 /nfs/dbraw/zinc/59/96/32/483599632.db2.gz JHCRQNJKWUNBBY-AWEZNQCLSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551030266 483599627 /nfs/dbraw/zinc/59/96/27/483599627.db2.gz JHCRQNJKWUNBBY-AWEZNQCLSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000551030267 483600487 /nfs/dbraw/zinc/60/04/87/483600487.db2.gz JHCRQNJKWUNBBY-CQSZACIVSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551030267 483600481 /nfs/dbraw/zinc/60/04/81/483600481.db2.gz JHCRQNJKWUNBBY-CQSZACIVSA-N 2 1 365.478 -1.133 20 0 FAADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000551054305 483600458 /nfs/dbraw/zinc/60/04/58/483600458.db2.gz ULUJVNHQJAENHD-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000551054305 483600453 /nfs/dbraw/zinc/60/04/53/483600453.db2.gz ULUJVNHQJAENHD-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000551054306 483599430 /nfs/dbraw/zinc/59/94/30/483599430.db2.gz ULUJVNHQJAENHD-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000551054306 483599424 /nfs/dbraw/zinc/59/94/24/483599424.db2.gz ULUJVNHQJAENHD-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000551054307 483600074 /nfs/dbraw/zinc/60/00/74/483600074.db2.gz ULUJVNHQJAENHD-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000551054307 483600071 /nfs/dbraw/zinc/60/00/71/483600071.db2.gz ULUJVNHQJAENHD-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000551054308 483599862 /nfs/dbraw/zinc/59/98/62/483599862.db2.gz ULUJVNHQJAENHD-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000551054308 483599859 /nfs/dbraw/zinc/59/98/59/483599859.db2.gz ULUJVNHQJAENHD-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551055401 483600031 /nfs/dbraw/zinc/60/00/31/483600031.db2.gz OKDVJYYHBSSTDE-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551055401 483600024 /nfs/dbraw/zinc/60/00/24/483600024.db2.gz OKDVJYYHBSSTDE-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551055402 483600820 /nfs/dbraw/zinc/60/08/20/483600820.db2.gz OKDVJYYHBSSTDE-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551055402 483600812 /nfs/dbraw/zinc/60/08/12/483600812.db2.gz OKDVJYYHBSSTDE-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000551188755 483602566 /nfs/dbraw/zinc/60/25/66/483602566.db2.gz HWLYFQRUYTZNRE-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000551188755 483602561 /nfs/dbraw/zinc/60/25/61/483602561.db2.gz HWLYFQRUYTZNRE-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000552624030 483611143 /nfs/dbraw/zinc/61/11/43/483611143.db2.gz PVVDTLNFXFMGFE-UHFFFAOYSA-N 2 1 352.439 -1.252 20 0 FAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000552937302 483612888 /nfs/dbraw/zinc/61/28/88/483612888.db2.gz BICGVZSEBXVLAA-CABCVRRESA-N 2 1 355.483 -1.425 20 0 FAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000552937307 483612818 /nfs/dbraw/zinc/61/28/18/483612818.db2.gz BICGVZSEBXVLAA-GJZGRUSLSA-N 2 1 355.483 -1.425 20 0 FAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000552937308 483612538 /nfs/dbraw/zinc/61/25/38/483612538.db2.gz BICGVZSEBXVLAA-HUUCEWRRSA-N 2 1 355.483 -1.425 20 0 FAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000552937310 483612967 /nfs/dbraw/zinc/61/29/67/483612967.db2.gz BICGVZSEBXVLAA-LSDHHAIUSA-N 2 1 355.483 -1.425 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000552970729 483615055 /nfs/dbraw/zinc/61/50/55/483615055.db2.gz NKLIRGYZIRSFTK-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000552970729 483615052 /nfs/dbraw/zinc/61/50/52/483615052.db2.gz NKLIRGYZIRSFTK-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000552970729 483615048 /nfs/dbraw/zinc/61/50/48/483615048.db2.gz NKLIRGYZIRSFTK-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000552970729 483615043 /nfs/dbraw/zinc/61/50/43/483615043.db2.gz NKLIRGYZIRSFTK-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000552970730 483614476 /nfs/dbraw/zinc/61/44/76/483614476.db2.gz NKLIRGYZIRSFTK-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000552970730 483614472 /nfs/dbraw/zinc/61/44/72/483614472.db2.gz NKLIRGYZIRSFTK-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000552970730 483614468 /nfs/dbraw/zinc/61/44/68/483614468.db2.gz NKLIRGYZIRSFTK-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000552970730 483614464 /nfs/dbraw/zinc/61/44/64/483614464.db2.gz NKLIRGYZIRSFTK-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552971687 483614734 /nfs/dbraw/zinc/61/47/34/483614734.db2.gz MCLCDDQIRRFVMO-HNNXBMFYSA-N 2 1 356.467 -1.139 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552971687 483614728 /nfs/dbraw/zinc/61/47/28/483614728.db2.gz MCLCDDQIRRFVMO-HNNXBMFYSA-N 2 1 356.467 -1.139 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552971688 483615080 /nfs/dbraw/zinc/61/50/80/483615080.db2.gz MCLCDDQIRRFVMO-OAHLLOKOSA-N 2 1 356.467 -1.139 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552971688 483615075 /nfs/dbraw/zinc/61/50/75/483615075.db2.gz MCLCDDQIRRFVMO-OAHLLOKOSA-N 2 1 356.467 -1.139 20 0 FAADMP CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000554342474 483623310 /nfs/dbraw/zinc/62/33/10/483623310.db2.gz FEOKWZROHSFDCQ-AWEZNQCLSA-N 2 1 355.483 -1.425 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000554342474 483623303 /nfs/dbraw/zinc/62/33/03/483623303.db2.gz FEOKWZROHSFDCQ-AWEZNQCLSA-N 2 1 355.483 -1.425 20 0 FAADMP CN1CCN(C)[C@H](CNC(=O)C(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000554342475 483622840 /nfs/dbraw/zinc/62/28/40/483622840.db2.gz FEOKWZROHSFDCQ-CQSZACIVSA-N 2 1 355.483 -1.425 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000554342475 483622838 /nfs/dbraw/zinc/62/28/38/483622838.db2.gz FEOKWZROHSFDCQ-CQSZACIVSA-N 2 1 355.483 -1.425 20 0 FAADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C[C@H](C)O1 ZINC000554343112 483623799 /nfs/dbraw/zinc/62/37/99/483623799.db2.gz LHZHNZXVFITMBG-OWCLPIDISA-N 2 1 369.510 -1.084 20 0 FAADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000554343112 483623796 /nfs/dbraw/zinc/62/37/96/483623796.db2.gz LHZHNZXVFITMBG-OWCLPIDISA-N 2 1 369.510 -1.084 20 0 FAADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)NC[C@H]2CN(C)CCN2C)C[C@H](C)O1 ZINC000554343113 483623898 /nfs/dbraw/zinc/62/38/98/483623898.db2.gz LHZHNZXVFITMBG-XHSDSOJGSA-N 2 1 369.510 -1.084 20 0 FAADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000554343113 483623895 /nfs/dbraw/zinc/62/38/95/483623895.db2.gz LHZHNZXVFITMBG-XHSDSOJGSA-N 2 1 369.510 -1.084 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000554343905 483622969 /nfs/dbraw/zinc/62/29/69/483622969.db2.gz YCRMMYOSAORONF-CVEARBPZSA-N 2 1 369.510 -1.035 20 0 FAADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000554343906 483623005 /nfs/dbraw/zinc/62/30/05/483623005.db2.gz YCRMMYOSAORONF-HOTGVXAUSA-N 2 1 369.510 -1.035 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000554343907 483623674 /nfs/dbraw/zinc/62/36/74/483623674.db2.gz YCRMMYOSAORONF-HZPDHXFCSA-N 2 1 369.510 -1.035 20 0 FAADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000554343908 483623220 /nfs/dbraw/zinc/62/32/20/483623220.db2.gz YCRMMYOSAORONF-JKSUJKDBSA-N 2 1 369.510 -1.035 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000554344437 483623261 /nfs/dbraw/zinc/62/32/61/483623261.db2.gz QUKUTSJYMUODMZ-BZUAXINKSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000554344438 483623640 /nfs/dbraw/zinc/62/36/40/483623640.db2.gz QUKUTSJYMUODMZ-OAGGEKHMSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000554344439 483623448 /nfs/dbraw/zinc/62/34/48/483623448.db2.gz QUKUTSJYMUODMZ-OWCLPIDISA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000554344439 483623441 /nfs/dbraw/zinc/62/34/41/483623441.db2.gz QUKUTSJYMUODMZ-OWCLPIDISA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000554344439 483623435 /nfs/dbraw/zinc/62/34/35/483623435.db2.gz QUKUTSJYMUODMZ-OWCLPIDISA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000554344440 483623177 /nfs/dbraw/zinc/62/31/77/483623177.db2.gz QUKUTSJYMUODMZ-XHSDSOJGSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000554344440 483623171 /nfs/dbraw/zinc/62/31/71/483623171.db2.gz QUKUTSJYMUODMZ-XHSDSOJGSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000554344440 483623163 /nfs/dbraw/zinc/62/31/63/483623163.db2.gz QUKUTSJYMUODMZ-XHSDSOJGSA-N 2 1 369.510 -1.036 20 0 FAADMP CN1CCN(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000554344757 483622782 /nfs/dbraw/zinc/62/27/82/483622782.db2.gz XLGVPGCNFHFSCD-HNNXBMFYSA-N 2 1 356.515 -1.700 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554344757 483622779 /nfs/dbraw/zinc/62/27/79/483622779.db2.gz XLGVPGCNFHFSCD-HNNXBMFYSA-N 3 1 356.515 -1.700 20 0 FAADMP CN1CCN(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000554344758 483624061 /nfs/dbraw/zinc/62/40/61/483624061.db2.gz XLGVPGCNFHFSCD-OAHLLOKOSA-N 2 1 356.515 -1.700 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554344758 483624058 /nfs/dbraw/zinc/62/40/58/483624058.db2.gz XLGVPGCNFHFSCD-OAHLLOKOSA-N 3 1 356.515 -1.700 20 0 FAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000555732031 483627612 /nfs/dbraw/zinc/62/76/12/483627612.db2.gz XJPRPQFNBYUUGU-CVEARBPZSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000555732031 483627601 /nfs/dbraw/zinc/62/76/01/483627601.db2.gz XJPRPQFNBYUUGU-CVEARBPZSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000555732038 483627897 /nfs/dbraw/zinc/62/78/97/483627897.db2.gz XJPRPQFNBYUUGU-HOTGVXAUSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000555732038 483627888 /nfs/dbraw/zinc/62/78/88/483627888.db2.gz XJPRPQFNBYUUGU-HOTGVXAUSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000555732040 483628344 /nfs/dbraw/zinc/62/83/44/483628344.db2.gz XJPRPQFNBYUUGU-HZPDHXFCSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000555732040 483628335 /nfs/dbraw/zinc/62/83/35/483628335.db2.gz XJPRPQFNBYUUGU-HZPDHXFCSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000555732042 483628460 /nfs/dbraw/zinc/62/84/60/483628460.db2.gz XJPRPQFNBYUUGU-JKSUJKDBSA-N 2 1 369.510 -1.179 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000555732042 483628453 /nfs/dbraw/zinc/62/84/53/483628453.db2.gz XJPRPQFNBYUUGU-JKSUJKDBSA-N 2 1 369.510 -1.179 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000556101208 483630412 /nfs/dbraw/zinc/63/04/12/483630412.db2.gz OXACTJDHJQCMRU-HNNXBMFYSA-N 2 1 365.478 -1.037 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000556101209 483631040 /nfs/dbraw/zinc/63/10/40/483631040.db2.gz OXACTJDHJQCMRU-OAHLLOKOSA-N 2 1 365.478 -1.037 20 0 FAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101410 483631727 /nfs/dbraw/zinc/63/17/27/483631727.db2.gz RPISYYWSWIWEFS-UHFFFAOYSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101410 483631721 /nfs/dbraw/zinc/63/17/21/483631721.db2.gz RPISYYWSWIWEFS-UHFFFAOYSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556102739 483631470 /nfs/dbraw/zinc/63/14/70/483631470.db2.gz SJJRUNXXSWBNGK-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556102740 483630820 /nfs/dbraw/zinc/63/08/20/483630820.db2.gz SJJRUNXXSWBNGK-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186657 483631203 /nfs/dbraw/zinc/63/12/03/483631203.db2.gz GJMCJXIYYUMQJE-AWEZNQCLSA-N 2 1 353.467 -1.087 20 0 FAADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186657 483631199 /nfs/dbraw/zinc/63/11/99/483631199.db2.gz GJMCJXIYYUMQJE-AWEZNQCLSA-N 2 1 353.467 -1.087 20 0 FAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186658 483631758 /nfs/dbraw/zinc/63/17/58/483631758.db2.gz GJMCJXIYYUMQJE-CQSZACIVSA-N 2 1 353.467 -1.087 20 0 FAADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186658 483631753 /nfs/dbraw/zinc/63/17/53/483631753.db2.gz GJMCJXIYYUMQJE-CQSZACIVSA-N 2 1 353.467 -1.087 20 0 FAADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000557236796 482580876 /nfs/dbraw/zinc/58/08/76/482580876.db2.gz CLOYOGCCYICJDG-LLVKDONJSA-N 2 1 367.422 -1.388 20 0 FAADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000557236797 482579947 /nfs/dbraw/zinc/57/99/47/482579947.db2.gz CLOYOGCCYICJDG-NSHDSACASA-N 2 1 367.422 -1.388 20 0 FAADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557265279 482582809 /nfs/dbraw/zinc/58/28/09/482582809.db2.gz VGJUDMBXOYOOKU-AWEZNQCLSA-N 2 1 353.467 -1.085 20 0 FAADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557265283 482581467 /nfs/dbraw/zinc/58/14/67/482581467.db2.gz VGJUDMBXOYOOKU-CQSZACIVSA-N 2 1 353.467 -1.085 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000557302422 482581740 /nfs/dbraw/zinc/58/17/40/482581740.db2.gz QJIXJOLJCRZUKB-UHFFFAOYSA-N 2 1 357.499 -1.177 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557302422 482581737 /nfs/dbraw/zinc/58/17/37/482581737.db2.gz QJIXJOLJCRZUKB-UHFFFAOYSA-N 2 1 357.499 -1.177 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000557302422 482581733 /nfs/dbraw/zinc/58/17/33/482581733.db2.gz QJIXJOLJCRZUKB-UHFFFAOYSA-N 2 1 357.499 -1.177 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000557766617 482586798 /nfs/dbraw/zinc/58/67/98/482586798.db2.gz GPJWGJRVYBTHBV-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000557766622 482586686 /nfs/dbraw/zinc/58/66/86/482586686.db2.gz GPJWGJRVYBTHBV-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000558216654 482592284 /nfs/dbraw/zinc/59/22/84/482592284.db2.gz GOJRKJOXSPKMNJ-CVEARBPZSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000558216655 482591983 /nfs/dbraw/zinc/59/19/83/482591983.db2.gz GOJRKJOXSPKMNJ-HOTGVXAUSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000558216656 482592656 /nfs/dbraw/zinc/59/26/56/482592656.db2.gz GOJRKJOXSPKMNJ-HZPDHXFCSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000558216657 482593146 /nfs/dbraw/zinc/59/31/46/482593146.db2.gz GOJRKJOXSPKMNJ-JKSUJKDBSA-N 2 1 369.510 -1.082 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000559330695 482626843 /nfs/dbraw/zinc/62/68/43/482626843.db2.gz JETUDUGTWDGBAW-UHFFFAOYSA-N 2 1 369.510 -1.033 20 0 FAADMP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000559330695 482626835 /nfs/dbraw/zinc/62/68/35/482626835.db2.gz JETUDUGTWDGBAW-UHFFFAOYSA-N 2 1 369.510 -1.033 20 0 FAADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559772062 482662964 /nfs/dbraw/zinc/66/29/64/482662964.db2.gz LPLLPVPFTFWMGN-UHFFFAOYSA-N 2 1 353.467 -1.179 20 0 FAADMP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559772062 482662962 /nfs/dbraw/zinc/66/29/62/482662962.db2.gz LPLLPVPFTFWMGN-UHFFFAOYSA-N 2 1 353.467 -1.179 20 0 FAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000559772641 482662899 /nfs/dbraw/zinc/66/28/99/482662899.db2.gz KSILMWRYQLYPRS-UHFFFAOYSA-N 2 1 371.482 -1.697 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000559849163 482663581 /nfs/dbraw/zinc/66/35/81/482663581.db2.gz HJPPEVLSGUOQOY-UHFFFAOYSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000559849163 482663574 /nfs/dbraw/zinc/66/35/74/482663574.db2.gz HJPPEVLSGUOQOY-UHFFFAOYSA-N 2 1 353.467 -1.134 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000559927933 482664554 /nfs/dbraw/zinc/66/45/54/482664554.db2.gz GRZWKBBETCEFHG-UHFFFAOYSA-N 2 1 358.483 -1.014 20 0 FAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000559927933 482664550 /nfs/dbraw/zinc/66/45/50/482664550.db2.gz GRZWKBBETCEFHG-UHFFFAOYSA-N 2 1 358.483 -1.014 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012786 482667465 /nfs/dbraw/zinc/66/74/65/482667465.db2.gz LGDXVAVSUHFGSV-CVEARBPZSA-N 2 1 369.510 -1.177 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012795 482666591 /nfs/dbraw/zinc/66/65/91/482666591.db2.gz LGDXVAVSUHFGSV-HOTGVXAUSA-N 2 1 369.510 -1.177 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012796 482667152 /nfs/dbraw/zinc/66/71/52/482667152.db2.gz LGDXVAVSUHFGSV-HZPDHXFCSA-N 2 1 369.510 -1.177 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012798 482667273 /nfs/dbraw/zinc/66/72/73/482667273.db2.gz LGDXVAVSUHFGSV-JKSUJKDBSA-N 2 1 369.510 -1.177 20 0 FAADMP COCCN1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560031770 482667040 /nfs/dbraw/zinc/66/70/40/482667040.db2.gz DOSZVCCKUCQCLN-INIZCTEOSA-N 2 1 369.510 -1.223 20 0 FAADMP COCCN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000560031771 482666237 /nfs/dbraw/zinc/66/62/37/482666237.db2.gz DOSZVCCKUCQCLN-MRXNPFEDSA-N 2 1 369.510 -1.223 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000560940198 482678398 /nfs/dbraw/zinc/67/83/98/482678398.db2.gz SXWACZTTZAZUEK-UHFFFAOYSA-N 2 1 371.482 -1.650 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000560940198 482678394 /nfs/dbraw/zinc/67/83/94/482678394.db2.gz SXWACZTTZAZUEK-UHFFFAOYSA-N 2 1 371.482 -1.650 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000560940969 482678896 /nfs/dbraw/zinc/67/88/96/482678896.db2.gz YNYAYHMRWDBWOL-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000560940969 482678893 /nfs/dbraw/zinc/67/88/93/482678893.db2.gz YNYAYHMRWDBWOL-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000560940969 482678884 /nfs/dbraw/zinc/67/88/84/482678884.db2.gz YNYAYHMRWDBWOL-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000560940969 482678879 /nfs/dbraw/zinc/67/88/79/482678879.db2.gz YNYAYHMRWDBWOL-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000560940970 482678630 /nfs/dbraw/zinc/67/86/30/482678630.db2.gz YNYAYHMRWDBWOL-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000560940970 482678624 /nfs/dbraw/zinc/67/86/24/482678624.db2.gz YNYAYHMRWDBWOL-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000560940970 482678613 /nfs/dbraw/zinc/67/86/13/482678613.db2.gz YNYAYHMRWDBWOL-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000560940970 482678609 /nfs/dbraw/zinc/67/86/09/482678609.db2.gz YNYAYHMRWDBWOL-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000561227533 482683568 /nfs/dbraw/zinc/68/35/68/482683568.db2.gz CNDOVGOEQKXUGQ-AWEZNQCLSA-N 2 1 369.466 -1.993 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000561227534 482683041 /nfs/dbraw/zinc/68/30/41/482683041.db2.gz CNDOVGOEQKXUGQ-CQSZACIVSA-N 2 1 369.466 -1.993 20 0 FAADMP CC(C)Nc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc(NCCO)[nH+]1 ZINC000561317561 482684612 /nfs/dbraw/zinc/68/46/12/482684612.db2.gz HWKPOBPGWYJXTN-UHFFFAOYSA-N 2 1 366.514 -1.200 20 0 FAADMP O=C(CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[NH2+]CC1 ZINC000562825434 482702684 /nfs/dbraw/zinc/70/26/84/482702684.db2.gz HCXPILXWNBVBIX-AWEZNQCLSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[NH2+]CC1 ZINC000562825439 482701511 /nfs/dbraw/zinc/70/15/11/482701511.db2.gz HCXPILXWNBVBIX-CQSZACIVSA-N 2 1 351.451 -1.333 20 0 FAADMP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000562831815 482702625 /nfs/dbraw/zinc/70/26/25/482702625.db2.gz YVIAPFLEZCVMFH-KBPBESRZSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000562831819 482701122 /nfs/dbraw/zinc/70/11/22/482701122.db2.gz YVIAPFLEZCVMFH-KGLIPLIRSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000562831821 482701543 /nfs/dbraw/zinc/70/15/43/482701543.db2.gz YVIAPFLEZCVMFH-UONOGXRCSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000562831822 482701469 /nfs/dbraw/zinc/70/14/69/482701469.db2.gz YVIAPFLEZCVMFH-ZIAGYGMSSA-N 2 1 353.467 -1.229 20 0 FAADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000562959506 482705718 /nfs/dbraw/zinc/70/57/18/482705718.db2.gz DPLFSHAWGVYRTH-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000562959515 482706287 /nfs/dbraw/zinc/70/62/87/482706287.db2.gz DPLFSHAWGVYRTH-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP [NH3+]CCCCn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000563114093 482886947 /nfs/dbraw/zinc/88/69/47/482886947.db2.gz ZIBSJDXJQUFUPL-UHFFFAOYSA-N 2 1 371.467 -1.924 20 0 FAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563214883 482911550 /nfs/dbraw/zinc/91/15/50/482911550.db2.gz IHZSNZQBYKJTDR-INIZCTEOSA-N 2 1 366.510 -1.802 20 0 FAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563214888 482911463 /nfs/dbraw/zinc/91/14/63/482911463.db2.gz IHZSNZQBYKJTDR-MRXNPFEDSA-N 2 1 366.510 -1.802 20 0 FAADMP COCCN1CC[C@@H](NC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000563315042 482934312 /nfs/dbraw/zinc/93/43/12/482934312.db2.gz ZGJKLTNXZJWWDC-GFCCVEGCSA-N 2 1 352.439 -1.061 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000563315042 482934306 /nfs/dbraw/zinc/93/43/06/482934306.db2.gz ZGJKLTNXZJWWDC-GFCCVEGCSA-N 2 1 352.439 -1.061 20 0 FAADMP COCCN1CC[C@H](NC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000563315043 482934116 /nfs/dbraw/zinc/93/41/16/482934116.db2.gz ZGJKLTNXZJWWDC-LBPRGKRZSA-N 2 1 352.439 -1.061 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000563315043 482934109 /nfs/dbraw/zinc/93/41/09/482934109.db2.gz ZGJKLTNXZJWWDC-LBPRGKRZSA-N 2 1 352.439 -1.061 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563457425 482941366 /nfs/dbraw/zinc/94/13/66/482941366.db2.gz LCBBRQNSZNNLCO-CHWSQXEVSA-N 2 1 352.439 -1.896 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563457426 482941098 /nfs/dbraw/zinc/94/10/98/482941098.db2.gz LCBBRQNSZNNLCO-OLZOCXBDSA-N 2 1 352.439 -1.896 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000563457427 482941082 /nfs/dbraw/zinc/94/10/82/482941082.db2.gz LCBBRQNSZNNLCO-QWHCGFSZSA-N 2 1 352.439 -1.896 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000563457428 482941329 /nfs/dbraw/zinc/94/13/29/482941329.db2.gz LCBBRQNSZNNLCO-STQMWFEESA-N 2 1 352.439 -1.896 20 0 FAADMP C[C@@H]1CN(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@]1(C)C[NH3+] ZINC000563614442 482947483 /nfs/dbraw/zinc/94/74/83/482947483.db2.gz RKFRICCMQMZURU-IUODEOHRSA-N 2 1 359.496 -1.058 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000564019500 483286534 /nfs/dbraw/zinc/28/65/34/483286534.db2.gz JEMPIJZJAPNAFM-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000564019500 483286529 /nfs/dbraw/zinc/28/65/29/483286529.db2.gz JEMPIJZJAPNAFM-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000564019501 483286351 /nfs/dbraw/zinc/28/63/51/483286351.db2.gz JEMPIJZJAPNAFM-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000564019501 483286343 /nfs/dbraw/zinc/28/63/43/483286343.db2.gz JEMPIJZJAPNAFM-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564307934 483584556 /nfs/dbraw/zinc/58/45/56/483584556.db2.gz LROHHUPXKSIJER-KBPBESRZSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564307948 483584203 /nfs/dbraw/zinc/58/42/03/483584203.db2.gz LROHHUPXKSIJER-KGLIPLIRSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564307949 483583560 /nfs/dbraw/zinc/58/35/60/483583560.db2.gz LROHHUPXKSIJER-UONOGXRCSA-N 2 1 353.467 -1.229 20 0 FAADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000564307950 483583978 /nfs/dbraw/zinc/58/39/78/483583978.db2.gz LROHHUPXKSIJER-ZIAGYGMSSA-N 2 1 353.467 -1.229 20 0 FAADMP COCC[NH2+]CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000564729032 483632883 /nfs/dbraw/zinc/63/28/83/483632883.db2.gz WZJVXKVRMOYBNU-UHFFFAOYSA-N 2 1 369.510 -1.081 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000564827133 482578727 /nfs/dbraw/zinc/57/87/27/482578727.db2.gz BIOUUKCJOGTZIX-KBPBESRZSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000564827133 482578722 /nfs/dbraw/zinc/57/87/22/482578722.db2.gz BIOUUKCJOGTZIX-KBPBESRZSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000564827137 482578002 /nfs/dbraw/zinc/57/80/02/482578002.db2.gz BIOUUKCJOGTZIX-KGLIPLIRSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000564827137 482578000 /nfs/dbraw/zinc/57/80/00/482578000.db2.gz BIOUUKCJOGTZIX-KGLIPLIRSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000564827143 482577861 /nfs/dbraw/zinc/57/78/61/482577861.db2.gz BIOUUKCJOGTZIX-UONOGXRCSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000564827143 482577856 /nfs/dbraw/zinc/57/78/56/482577856.db2.gz BIOUUKCJOGTZIX-UONOGXRCSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC000564827144 482578585 /nfs/dbraw/zinc/57/85/85/482578585.db2.gz BIOUUKCJOGTZIX-ZIAGYGMSSA-N 2 1 355.483 -1.609 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000564827144 482578581 /nfs/dbraw/zinc/57/85/81/482578581.db2.gz BIOUUKCJOGTZIX-ZIAGYGMSSA-N 2 1 355.483 -1.609 20 0 FAADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239272 483636477 /nfs/dbraw/zinc/63/64/77/483636477.db2.gz KOHIBWVKMDSTGI-CABCVRRESA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239272 483636472 /nfs/dbraw/zinc/63/64/72/483636472.db2.gz KOHIBWVKMDSTGI-CABCVRRESA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239273 483636354 /nfs/dbraw/zinc/63/63/54/483636354.db2.gz KOHIBWVKMDSTGI-GJZGRUSLSA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239273 483636348 /nfs/dbraw/zinc/63/63/48/483636348.db2.gz KOHIBWVKMDSTGI-GJZGRUSLSA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239274 483636694 /nfs/dbraw/zinc/63/66/94/483636694.db2.gz KOHIBWVKMDSTGI-HUUCEWRRSA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239274 483636688 /nfs/dbraw/zinc/63/66/88/483636688.db2.gz KOHIBWVKMDSTGI-HUUCEWRRSA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239275 483636665 /nfs/dbraw/zinc/63/66/65/483636665.db2.gz KOHIBWVKMDSTGI-LSDHHAIUSA-N 2 1 373.461 -1.241 20 0 FAADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000565239275 483636659 /nfs/dbraw/zinc/63/66/59/483636659.db2.gz KOHIBWVKMDSTGI-LSDHHAIUSA-N 2 1 373.461 -1.241 20 0 FAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000565598564 483639801 /nfs/dbraw/zinc/63/98/01/483639801.db2.gz SSBUOZXIEFBPBC-BFHYXJOUSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000565598568 483639268 /nfs/dbraw/zinc/63/92/68/483639268.db2.gz SSBUOZXIEFBPBC-IHRRRGAJSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000565598569 483639288 /nfs/dbraw/zinc/63/92/88/483639288.db2.gz SSBUOZXIEFBPBC-MELADBBJSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000565598570 483638943 /nfs/dbraw/zinc/63/89/43/483638943.db2.gz SSBUOZXIEFBPBC-MJBXVCDLSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000565611922 483638881 /nfs/dbraw/zinc/63/88/81/483638881.db2.gz GDFNFQLMWZANOI-CYBMUJFWSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000565611922 483638875 /nfs/dbraw/zinc/63/88/75/483638875.db2.gz GDFNFQLMWZANOI-CYBMUJFWSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000565611928 483639312 /nfs/dbraw/zinc/63/93/12/483639312.db2.gz GDFNFQLMWZANOI-ZDUSSCGKSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000565611928 483639307 /nfs/dbraw/zinc/63/93/07/483639307.db2.gz GDFNFQLMWZANOI-ZDUSSCGKSA-N 2 1 353.467 -1.134 20 0 FAADMP O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)C(=O)NC1C[NH2+]C1 ZINC000565648262 483639356 /nfs/dbraw/zinc/63/93/56/483639356.db2.gz XGSNECMQYMGFRH-HOTGVXAUSA-N 2 1 371.441 -1.211 20 0 FAADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565728705 483638965 /nfs/dbraw/zinc/63/89/65/483638965.db2.gz XDJNRCIIJHSLOU-ILXRZTDVSA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565728706 483639002 /nfs/dbraw/zinc/63/90/02/483639002.db2.gz XDJNRCIIJHSLOU-KFWWJZLASA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565728707 483639499 /nfs/dbraw/zinc/63/94/99/483639499.db2.gz XDJNRCIIJHSLOU-QLFBSQMISA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565728708 483639398 /nfs/dbraw/zinc/63/93/98/483639398.db2.gz XDJNRCIIJHSLOU-RBSFLKMASA-N 2 1 365.478 -1.007 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565904129 483641495 /nfs/dbraw/zinc/64/14/95/483641495.db2.gz BNCLNLRBIKOLRV-UHFFFAOYSA-N 2 1 357.455 -2.039 20 0 FAADMP COCC[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565904129 483641492 /nfs/dbraw/zinc/64/14/92/483641492.db2.gz BNCLNLRBIKOLRV-UHFFFAOYSA-N 2 1 357.455 -2.039 20 0 FAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566207794 483642326 /nfs/dbraw/zinc/64/23/26/483642326.db2.gz JMBRGMGPSHKNNP-GFCCVEGCSA-N 2 1 359.452 -2.700 20 0 FAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566207801 482637090 /nfs/dbraw/zinc/63/70/90/482637090.db2.gz JMBRGMGPSHKNNP-LBPRGKRZSA-N 2 1 359.452 -2.700 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCN1CC[NH2+]CC1 ZINC000566239911 483642596 /nfs/dbraw/zinc/64/25/96/483642596.db2.gz YECQKKCDTBYRLI-INIZCTEOSA-N 2 1 367.494 -1.279 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCN1CC[NH2+]CC1 ZINC000566239912 483642510 /nfs/dbraw/zinc/64/25/10/483642510.db2.gz YECQKKCDTBYRLI-MRXNPFEDSA-N 2 1 367.494 -1.279 20 0 FAADMP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000566244573 483642804 /nfs/dbraw/zinc/64/28/04/483642804.db2.gz WMKUCZAYPLECQL-CVEARBPZSA-N 2 1 367.494 -1.199 20 0 FAADMP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000566244574 483642761 /nfs/dbraw/zinc/64/27/61/483642761.db2.gz WMKUCZAYPLECQL-HOTGVXAUSA-N 2 1 367.494 -1.199 20 0 FAADMP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000566244575 483642271 /nfs/dbraw/zinc/64/22/71/483642271.db2.gz WMKUCZAYPLECQL-HZPDHXFCSA-N 2 1 367.494 -1.199 20 0 FAADMP CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000566244576 483642548 /nfs/dbraw/zinc/64/25/48/483642548.db2.gz WMKUCZAYPLECQL-JKSUJKDBSA-N 2 1 367.494 -1.199 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H](C[NH3+])C1 ZINC000566791210 483644616 /nfs/dbraw/zinc/64/46/16/483644616.db2.gz HDCPFNKCIUAFJW-HNNXBMFYSA-N 2 1 353.467 -1.589 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000566791211 483645697 /nfs/dbraw/zinc/64/56/97/483645697.db2.gz HDCPFNKCIUAFJW-OAHLLOKOSA-N 2 1 353.467 -1.589 20 0 FAADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)C2)CC1 ZINC000566930958 483646890 /nfs/dbraw/zinc/64/68/90/483646890.db2.gz IYAOTKLUMFOLBU-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)C2)CC1 ZINC000566930959 483647041 /nfs/dbraw/zinc/64/70/41/483647041.db2.gz IYAOTKLUMFOLBU-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567125184 483646374 /nfs/dbraw/zinc/64/63/74/483646374.db2.gz CXBRXQJTJSDUPZ-CHWSQXEVSA-N 2 1 355.439 -2.159 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567125185 483647603 /nfs/dbraw/zinc/64/76/03/483647603.db2.gz CXBRXQJTJSDUPZ-OLZOCXBDSA-N 2 1 355.439 -2.159 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567125186 483646292 /nfs/dbraw/zinc/64/62/92/483646292.db2.gz CXBRXQJTJSDUPZ-QWHCGFSZSA-N 2 1 355.439 -2.159 20 0 FAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567125187 483646167 /nfs/dbraw/zinc/64/61/67/483646167.db2.gz CXBRXQJTJSDUPZ-STQMWFEESA-N 2 1 355.439 -2.159 20 0 FAADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000567528392 483650767 /nfs/dbraw/zinc/65/07/67/483650767.db2.gz VTPGKGKZQJMWIM-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000567528392 483650763 /nfs/dbraw/zinc/65/07/63/483650763.db2.gz VTPGKGKZQJMWIM-HNNXBMFYSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000567528393 483649633 /nfs/dbraw/zinc/64/96/33/483649633.db2.gz VTPGKGKZQJMWIM-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567528393 483649627 /nfs/dbraw/zinc/64/96/27/483649627.db2.gz VTPGKGKZQJMWIM-OAHLLOKOSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC[NH+](C)C ZINC000567604321 483649935 /nfs/dbraw/zinc/64/99/35/483649935.db2.gz QALKKJDDKUOGOE-HNNXBMFYSA-N 2 1 356.515 -1.570 20 0 FAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567604321 483649929 /nfs/dbraw/zinc/64/99/29/483649929.db2.gz QALKKJDDKUOGOE-HNNXBMFYSA-N 2 1 356.515 -1.570 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])CC[NH+](C)C ZINC000567604322 483649730 /nfs/dbraw/zinc/64/97/30/483649730.db2.gz QALKKJDDKUOGOE-OAHLLOKOSA-N 2 1 356.515 -1.570 20 0 FAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567604322 483649726 /nfs/dbraw/zinc/64/97/26/483649726.db2.gz QALKKJDDKUOGOE-OAHLLOKOSA-N 2 1 356.515 -1.570 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000567628123 483650285 /nfs/dbraw/zinc/65/02/85/483650285.db2.gz KKZLBCBTEQMBMZ-CHWSQXEVSA-N 2 1 353.423 -2.405 20 0 FAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000567628124 483650332 /nfs/dbraw/zinc/65/03/32/483650332.db2.gz KKZLBCBTEQMBMZ-OLZOCXBDSA-N 2 1 353.423 -2.405 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000567628125 483650739 /nfs/dbraw/zinc/65/07/39/483650739.db2.gz KKZLBCBTEQMBMZ-QWHCGFSZSA-N 2 1 353.423 -2.405 20 0 FAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000567628126 483650401 /nfs/dbraw/zinc/65/04/01/483650401.db2.gz KKZLBCBTEQMBMZ-STQMWFEESA-N 2 1 353.423 -2.405 20 0 FAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567651620 483650803 /nfs/dbraw/zinc/65/08/03/483650803.db2.gz VQNGDYULDYVTAO-HNNXBMFYSA-N 2 1 369.510 -1.096 20 0 FAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567651621 483650519 /nfs/dbraw/zinc/65/05/19/483650519.db2.gz VQNGDYULDYVTAO-OAHLLOKOSA-N 2 1 369.510 -1.096 20 0 FAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000567780686 483651511 /nfs/dbraw/zinc/65/15/11/483651511.db2.gz FTZPQVHKWRMFRH-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000567780686 483651506 /nfs/dbraw/zinc/65/15/06/483651506.db2.gz FTZPQVHKWRMFRH-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000567780687 483651237 /nfs/dbraw/zinc/65/12/37/483651237.db2.gz FTZPQVHKWRMFRH-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000567780687 483651233 /nfs/dbraw/zinc/65/12/33/483651233.db2.gz FTZPQVHKWRMFRH-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000568302587 483655956 /nfs/dbraw/zinc/65/59/56/483655956.db2.gz HNFVGUVOUROEMA-CVEARBPZSA-N 2 1 370.494 -1.014 20 0 FAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000568302588 483656230 /nfs/dbraw/zinc/65/62/30/483656230.db2.gz HNFVGUVOUROEMA-HOTGVXAUSA-N 2 1 370.494 -1.014 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000568302589 483655274 /nfs/dbraw/zinc/65/52/74/483655274.db2.gz HNFVGUVOUROEMA-HZPDHXFCSA-N 2 1 370.494 -1.014 20 0 FAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000568302590 483656029 /nfs/dbraw/zinc/65/60/29/483656029.db2.gz HNFVGUVOUROEMA-JKSUJKDBSA-N 2 1 370.494 -1.014 20 0 FAADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000568783555 483658149 /nfs/dbraw/zinc/65/81/49/483658149.db2.gz XLBWBZLQIOOJGC-HZSPNIEDSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000568783556 483658481 /nfs/dbraw/zinc/65/84/81/483658481.db2.gz XLBWBZLQIOOJGC-MCIONIFRSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000568783557 483658575 /nfs/dbraw/zinc/65/85/75/483658575.db2.gz XLBWBZLQIOOJGC-MGPQQGTHSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000568783558 483658695 /nfs/dbraw/zinc/65/86/95/483658695.db2.gz XLBWBZLQIOOJGC-RDBSUJKOSA-N 2 1 351.451 -1.395 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000568975928 483660199 /nfs/dbraw/zinc/66/01/99/483660199.db2.gz YPEMJTDHTIPBEG-CYBMUJFWSA-N 2 1 355.439 -1.303 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000568975928 483660198 /nfs/dbraw/zinc/66/01/98/483660198.db2.gz YPEMJTDHTIPBEG-CYBMUJFWSA-N 2 1 355.439 -1.303 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000568975929 483660131 /nfs/dbraw/zinc/66/01/31/483660131.db2.gz YPEMJTDHTIPBEG-ZDUSSCGKSA-N 2 1 355.439 -1.303 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000568975929 483660125 /nfs/dbraw/zinc/66/01/25/483660125.db2.gz YPEMJTDHTIPBEG-ZDUSSCGKSA-N 2 1 355.439 -1.303 20 0 FAADMP [NH3+]C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000569003171 483659377 /nfs/dbraw/zinc/65/93/77/483659377.db2.gz VJSBMTGHGYOJQJ-CABCVRRESA-N 2 1 354.451 -1.114 20 0 FAADMP [NH3+]C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000569003174 483659867 /nfs/dbraw/zinc/65/98/67/483659867.db2.gz VJSBMTGHGYOJQJ-GJZGRUSLSA-N 2 1 354.451 -1.114 20 0 FAADMP [NH3+]C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000569003175 483660364 /nfs/dbraw/zinc/66/03/64/483660364.db2.gz VJSBMTGHGYOJQJ-HUUCEWRRSA-N 2 1 354.451 -1.114 20 0 FAADMP [NH3+]C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000569003176 483660430 /nfs/dbraw/zinc/66/04/30/483660430.db2.gz VJSBMTGHGYOJQJ-LSDHHAIUSA-N 2 1 354.451 -1.114 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238105 483661022 /nfs/dbraw/zinc/66/10/22/483661022.db2.gz OWHVATUWWDFCMY-AEGPPILISA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238110 483661328 /nfs/dbraw/zinc/66/13/28/483661328.db2.gz OWHVATUWWDFCMY-BPLDGKMQSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238111 483661532 /nfs/dbraw/zinc/66/15/32/483661532.db2.gz OWHVATUWWDFCMY-NWANDNLSSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238113 483661122 /nfs/dbraw/zinc/66/11/22/483661122.db2.gz OWHVATUWWDFCMY-VHDGCEQUSA-N 2 1 363.462 -1.110 20 0 FAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000569335734 482588332 /nfs/dbraw/zinc/58/83/32/482588332.db2.gz OVSHXIALSOGNGF-CABCVRRESA-N 2 1 352.483 -1.162 20 0 FAADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000569335735 482587688 /nfs/dbraw/zinc/58/76/88/482587688.db2.gz OVSHXIALSOGNGF-GJZGRUSLSA-N 2 1 352.483 -1.162 20 0 FAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000569335736 482587669 /nfs/dbraw/zinc/58/76/69/482587669.db2.gz OVSHXIALSOGNGF-HUUCEWRRSA-N 2 1 352.483 -1.162 20 0 FAADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000569335737 482588275 /nfs/dbraw/zinc/58/82/75/482588275.db2.gz OVSHXIALSOGNGF-LSDHHAIUSA-N 2 1 352.483 -1.162 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1)N1CC[NH2+]CC1 ZINC000569341418 482602504 /nfs/dbraw/zinc/60/25/04/482602504.db2.gz XBGSPMLTHPSFKP-UHFFFAOYSA-N 2 1 365.434 -1.899 20 0 FAADMP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569603636 482650114 /nfs/dbraw/zinc/65/01/14/482650114.db2.gz UZHGSLZPBAFJBP-LLVKDONJSA-N 2 1 368.463 -1.454 20 0 FAADMP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569603643 482649368 /nfs/dbraw/zinc/64/93/68/482649368.db2.gz UZHGSLZPBAFJBP-NSHDSACASA-N 2 1 368.463 -1.454 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CCCC1 ZINC000569625275 482685462 /nfs/dbraw/zinc/68/54/62/482685462.db2.gz OSYAQDXOESCWIV-KBPBESRZSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CCCC1 ZINC000569625279 482686602 /nfs/dbraw/zinc/68/66/02/482686602.db2.gz OSYAQDXOESCWIV-KGLIPLIRSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCCC1 ZINC000569625280 482686292 /nfs/dbraw/zinc/68/62/92/482686292.db2.gz OSYAQDXOESCWIV-UONOGXRCSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCCC1 ZINC000569625281 482687062 /nfs/dbraw/zinc/68/70/62/482687062.db2.gz OSYAQDXOESCWIV-ZIAGYGMSSA-N 2 1 351.451 -1.253 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000570207082 482719022 /nfs/dbraw/zinc/71/90/22/482719022.db2.gz IGOKYDHKRMNWFZ-AWEZNQCLSA-N 2 1 353.467 -1.039 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000570207085 482719016 /nfs/dbraw/zinc/71/90/16/482719016.db2.gz IGOKYDHKRMNWFZ-CQSZACIVSA-N 2 1 353.467 -1.039 20 0 FAADMP [NH3+]C1CCC(OCC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000570331094 482720811 /nfs/dbraw/zinc/72/08/11/482720811.db2.gz WPBUSJIFEREXHP-UHFFFAOYSA-N 2 1 360.480 -1.281 20 0 FAADMP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367081 482720092 /nfs/dbraw/zinc/72/00/92/482720092.db2.gz MCRYDEHJUMMVOZ-QZTJIDSGSA-N 2 1 370.538 -1.125 20 0 FAADMP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](O)C1)C1CC1 ZINC000570367082 482720155 /nfs/dbraw/zinc/72/01/55/482720155.db2.gz MCRYDEHJUMMVOZ-REPLKXPHSA-N 2 1 370.538 -1.125 20 0 FAADMP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](O)C1)C1CC1 ZINC000570367082 482720153 /nfs/dbraw/zinc/72/01/53/482720153.db2.gz MCRYDEHJUMMVOZ-REPLKXPHSA-N 2 1 370.538 -1.125 20 0 FAADMP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](O)C1)C1CC1 ZINC000570367082 482720150 /nfs/dbraw/zinc/72/01/50/482720150.db2.gz MCRYDEHJUMMVOZ-REPLKXPHSA-N 2 1 370.538 -1.125 20 0 FAADMP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367083 482720509 /nfs/dbraw/zinc/72/05/09/482720509.db2.gz MCRYDEHJUMMVOZ-ROUUACIJSA-N 2 1 370.538 -1.125 20 0 FAADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570429486 482721606 /nfs/dbraw/zinc/72/16/06/482721606.db2.gz KBORIERLJSVWDJ-OKILXGFUSA-N 2 1 353.467 -1.087 20 0 FAADMP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000570449720 482721973 /nfs/dbraw/zinc/72/19/73/482721973.db2.gz WDJLOCUUBSNIRR-BBRMVZONSA-N 2 1 374.507 -1.035 20 0 FAADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000570449721 482721759 /nfs/dbraw/zinc/72/17/59/482721759.db2.gz WDJLOCUUBSNIRR-CJNGLKHVSA-N 2 1 374.507 -1.035 20 0 FAADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000570449722 482721592 /nfs/dbraw/zinc/72/15/92/482721592.db2.gz WDJLOCUUBSNIRR-CZUORRHYSA-N 2 1 374.507 -1.035 20 0 FAADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000570449723 482722055 /nfs/dbraw/zinc/72/20/55/482722055.db2.gz WDJLOCUUBSNIRR-XJKSGUPXSA-N 2 1 374.507 -1.035 20 0 FAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000570722508 482727545 /nfs/dbraw/zinc/72/75/45/482727545.db2.gz LGDMZQFJHGOCQQ-CVEARBPZSA-N 2 1 367.494 -1.281 20 0 FAADMP CN1CC[NH2+]C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000570722509 482727927 /nfs/dbraw/zinc/72/79/27/482727927.db2.gz LGDMZQFJHGOCQQ-HOTGVXAUSA-N 2 1 367.494 -1.281 20 0 FAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000570722510 482727339 /nfs/dbraw/zinc/72/73/39/482727339.db2.gz LGDMZQFJHGOCQQ-HZPDHXFCSA-N 2 1 367.494 -1.281 20 0 FAADMP CN1CC[NH2+]C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000570722511 482727304 /nfs/dbraw/zinc/72/73/04/482727304.db2.gz LGDMZQFJHGOCQQ-JKSUJKDBSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000570865869 482729967 /nfs/dbraw/zinc/72/99/67/482729967.db2.gz DCRYHZAQLTYMMK-KBPBESRZSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000570865871 482729306 /nfs/dbraw/zinc/72/93/06/482729306.db2.gz DCRYHZAQLTYMMK-KGLIPLIRSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000570865872 482729731 /nfs/dbraw/zinc/72/97/31/482729731.db2.gz DCRYHZAQLTYMMK-UONOGXRCSA-N 2 1 351.451 -1.253 20 0 FAADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000570865873 482729955 /nfs/dbraw/zinc/72/99/55/482729955.db2.gz DCRYHZAQLTYMMK-ZIAGYGMSSA-N 2 1 351.451 -1.253 20 0 FAADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000570912825 482731487 /nfs/dbraw/zinc/73/14/87/482731487.db2.gz HIEVVNPDWAUIEW-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000570912826 482731255 /nfs/dbraw/zinc/73/12/55/482731255.db2.gz HIEVVNPDWAUIEW-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000571395079 482960455 /nfs/dbraw/zinc/96/04/55/482960455.db2.gz WQCFVNLJVQHDIM-QLFBSQMISA-N 2 1 363.462 -1.571 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000571395080 482960404 /nfs/dbraw/zinc/96/04/04/482960404.db2.gz WQCFVNLJVQHDIM-ZNMIVQPWSA-N 2 1 363.462 -1.571 20 0 FAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572118934 483305229 /nfs/dbraw/zinc/30/52/29/483305229.db2.gz CKUATGMEXNODHI-KBPBESRZSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572118937 483305817 /nfs/dbraw/zinc/30/58/17/483305817.db2.gz CKUATGMEXNODHI-KGLIPLIRSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572118940 483305767 /nfs/dbraw/zinc/30/57/67/483305767.db2.gz CKUATGMEXNODHI-UONOGXRCSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572118943 483305840 /nfs/dbraw/zinc/30/58/40/483305840.db2.gz CKUATGMEXNODHI-ZIAGYGMSSA-N 2 1 351.451 -1.333 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000572503076 483382323 /nfs/dbraw/zinc/38/23/23/483382323.db2.gz GJPFMNOAQXFGHU-GFCCVEGCSA-N 2 1 353.467 -1.088 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000572503076 483382320 /nfs/dbraw/zinc/38/23/20/483382320.db2.gz GJPFMNOAQXFGHU-GFCCVEGCSA-N 2 1 353.467 -1.088 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000572503077 483382413 /nfs/dbraw/zinc/38/24/13/483382413.db2.gz GJPFMNOAQXFGHU-LBPRGKRZSA-N 2 1 353.467 -1.088 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000572503077 483382408 /nfs/dbraw/zinc/38/24/08/483382408.db2.gz GJPFMNOAQXFGHU-LBPRGKRZSA-N 2 1 353.467 -1.088 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000572945507 483662463 /nfs/dbraw/zinc/66/24/63/483662463.db2.gz XUNQCKWBAFPLBB-KBPBESRZSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000572945508 483662135 /nfs/dbraw/zinc/66/21/35/483662135.db2.gz XUNQCKWBAFPLBB-KGLIPLIRSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000572945509 483662388 /nfs/dbraw/zinc/66/23/88/483662388.db2.gz XUNQCKWBAFPLBB-UONOGXRCSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000572945510 483662317 /nfs/dbraw/zinc/66/23/17/483662317.db2.gz XUNQCKWBAFPLBB-ZIAGYGMSSA-N 2 1 351.451 -1.380 20 0 FAADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000573028475 483662328 /nfs/dbraw/zinc/66/23/28/483662328.db2.gz RPLKUXJAPPMCQW-UHFFFAOYSA-N 2 1 353.467 -1.087 20 0 FAADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000573028475 483662326 /nfs/dbraw/zinc/66/23/26/483662326.db2.gz RPLKUXJAPPMCQW-UHFFFAOYSA-N 2 1 353.467 -1.087 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000573140939 483662811 /nfs/dbraw/zinc/66/28/11/483662811.db2.gz LGYHQQPWDLUMRI-KBPBESRZSA-N 2 1 352.483 -1.034 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000573140940 483662906 /nfs/dbraw/zinc/66/29/06/483662906.db2.gz LGYHQQPWDLUMRI-KGLIPLIRSA-N 2 1 352.483 -1.034 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000573140941 483663198 /nfs/dbraw/zinc/66/31/98/483663198.db2.gz LGYHQQPWDLUMRI-UONOGXRCSA-N 2 1 352.483 -1.034 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000573140942 483663163 /nfs/dbraw/zinc/66/31/63/483663163.db2.gz LGYHQQPWDLUMRI-ZIAGYGMSSA-N 2 1 352.483 -1.034 20 0 FAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCO[C@H](C[NH3+])C1)c(=O)n2C ZINC000573253880 483662865 /nfs/dbraw/zinc/66/28/65/483662865.db2.gz IBFBVRACNYMFCM-GFCCVEGCSA-N 2 1 350.423 -1.127 20 0 FAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCO[C@H](C[NH3+])C1)c(=O)n2C ZINC000573253880 483662863 /nfs/dbraw/zinc/66/28/63/483662863.db2.gz IBFBVRACNYMFCM-GFCCVEGCSA-N 2 1 350.423 -1.127 20 0 FAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCO[C@@H](C[NH3+])C1)c(=O)n2C ZINC000573253881 483662744 /nfs/dbraw/zinc/66/27/44/483662744.db2.gz IBFBVRACNYMFCM-LBPRGKRZSA-N 2 1 350.423 -1.127 20 0 FAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1)c(=O)n2C ZINC000573253881 483662741 /nfs/dbraw/zinc/66/27/41/483662741.db2.gz IBFBVRACNYMFCM-LBPRGKRZSA-N 2 1 350.423 -1.127 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000573467633 483663554 /nfs/dbraw/zinc/66/35/54/483663554.db2.gz NSOWENDZMMTPEI-CYBMUJFWSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000573467633 483663553 /nfs/dbraw/zinc/66/35/53/483663553.db2.gz NSOWENDZMMTPEI-CYBMUJFWSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000573467634 483663605 /nfs/dbraw/zinc/66/36/05/483663605.db2.gz NSOWENDZMMTPEI-ZDUSSCGKSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000573467634 483663601 /nfs/dbraw/zinc/66/36/01/483663601.db2.gz NSOWENDZMMTPEI-ZDUSSCGKSA-N 2 1 369.466 -2.162 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000573496911 483663393 /nfs/dbraw/zinc/66/33/93/483663393.db2.gz ORSAGWVAOKBLON-UHFFFAOYSA-N 2 1 371.482 -1.650 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000573670435 483664674 /nfs/dbraw/zinc/66/46/74/483664674.db2.gz AAEIWINKSFRFRQ-AWEZNQCLSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000573670436 483664721 /nfs/dbraw/zinc/66/47/21/483664721.db2.gz AAEIWINKSFRFRQ-CQSZACIVSA-N 2 1 356.467 -1.262 20 0 FAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573743440 483664652 /nfs/dbraw/zinc/66/46/52/483664652.db2.gz NLIJFRCDPAEHJT-AWEZNQCLSA-N 2 1 361.450 -1.417 20 0 FAADMP CN(C(=O)COC1C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573805003 483664637 /nfs/dbraw/zinc/66/46/37/483664637.db2.gz XABMTKIAKMKAJL-UHFFFAOYSA-N 2 1 367.494 -1.328 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574093189 483665187 /nfs/dbraw/zinc/66/51/87/483665187.db2.gz KMSPDGGDRPBINI-HNNXBMFYSA-N 2 1 356.467 -1.139 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574093191 483665290 /nfs/dbraw/zinc/66/52/90/483665290.db2.gz KMSPDGGDRPBINI-OAHLLOKOSA-N 2 1 356.467 -1.139 20 0 FAADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574220335 483665894 /nfs/dbraw/zinc/66/58/94/483665894.db2.gz GQSNELXEDGAWKU-BNOWGMLFSA-N 2 1 362.434 -1.286 20 0 FAADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574220336 483666371 /nfs/dbraw/zinc/66/63/71/483666371.db2.gz GQSNELXEDGAWKU-KWCYVHTRSA-N 2 1 362.434 -1.286 20 0 FAADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574220337 483665665 /nfs/dbraw/zinc/66/56/65/483665665.db2.gz GQSNELXEDGAWKU-MRVWCRGKSA-N 2 1 362.434 -1.286 20 0 FAADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574220338 483665677 /nfs/dbraw/zinc/66/56/77/483665677.db2.gz GQSNELXEDGAWKU-XBFCOCLRSA-N 2 1 362.434 -1.286 20 0 FAADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574340878 483666146 /nfs/dbraw/zinc/66/61/46/483666146.db2.gz ZKTMZUKXBDSDFR-IHRRRGAJSA-N 2 1 365.478 -1.007 20 0 FAADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574340879 483665856 /nfs/dbraw/zinc/66/58/56/483665856.db2.gz ZKTMZUKXBDSDFR-MCIONIFRSA-N 2 1 365.478 -1.007 20 0 FAADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574340880 483665864 /nfs/dbraw/zinc/66/58/64/483665864.db2.gz ZKTMZUKXBDSDFR-MJBXVCDLSA-N 2 1 365.478 -1.007 20 0 FAADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574340881 483665782 /nfs/dbraw/zinc/66/57/82/483665782.db2.gz ZKTMZUKXBDSDFR-RDBSUJKOSA-N 2 1 365.478 -1.007 20 0 FAADMP CO[C@@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000574878049 483668128 /nfs/dbraw/zinc/66/81/28/483668128.db2.gz RWCANGDFGKSUDV-HNNXBMFYSA-N 2 1 355.483 -1.343 20 0 FAADMP CO[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000574878056 483668403 /nfs/dbraw/zinc/66/84/03/483668403.db2.gz RWCANGDFGKSUDV-OAHLLOKOSA-N 2 1 355.483 -1.343 20 0 FAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574981598 482781236 /nfs/dbraw/zinc/78/12/36/482781236.db2.gz SSXLSOTUKLHRJF-INIZCTEOSA-N 3 1 368.526 -1.428 20 0 FAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574981598 482781232 /nfs/dbraw/zinc/78/12/32/482781232.db2.gz SSXLSOTUKLHRJF-INIZCTEOSA-N 3 1 368.526 -1.428 20 0 FAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574981602 482781716 /nfs/dbraw/zinc/78/17/16/482781716.db2.gz SSXLSOTUKLHRJF-MRXNPFEDSA-N 3 1 368.526 -1.428 20 0 FAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574981602 482781710 /nfs/dbraw/zinc/78/17/10/482781710.db2.gz SSXLSOTUKLHRJF-MRXNPFEDSA-N 3 1 368.526 -1.428 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000574981607 482782039 /nfs/dbraw/zinc/78/20/39/482782039.db2.gz UGLGBIULNIJPRU-ILXRZTDVSA-N 2 1 363.462 -1.428 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000574981608 482781686 /nfs/dbraw/zinc/78/16/86/482781686.db2.gz UGLGBIULNIJPRU-KFWWJZLASA-N 2 1 363.462 -1.428 20 0 FAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903497 483669156 /nfs/dbraw/zinc/66/91/56/483669156.db2.gz GMGHVEIBHLFGJI-DZGCQCFKSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903497 483669154 /nfs/dbraw/zinc/66/91/54/483669154.db2.gz GMGHVEIBHLFGJI-DZGCQCFKSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903498 483668780 /nfs/dbraw/zinc/66/87/80/483668780.db2.gz GMGHVEIBHLFGJI-HIFRSBDPSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903498 483668777 /nfs/dbraw/zinc/66/87/77/483668777.db2.gz GMGHVEIBHLFGJI-HIFRSBDPSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903499 483668828 /nfs/dbraw/zinc/66/88/28/483668828.db2.gz GMGHVEIBHLFGJI-UKRRQHHQSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903499 483668826 /nfs/dbraw/zinc/66/88/26/483668826.db2.gz GMGHVEIBHLFGJI-UKRRQHHQSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903500 483669193 /nfs/dbraw/zinc/66/91/93/483669193.db2.gz GMGHVEIBHLFGJI-ZFWWWQNUSA-N 2 1 365.478 -1.134 20 0 FAADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575903500 483669192 /nfs/dbraw/zinc/66/91/92/483669192.db2.gz GMGHVEIBHLFGJI-ZFWWWQNUSA-N 2 1 365.478 -1.134 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000576034028 483669650 /nfs/dbraw/zinc/66/96/50/483669650.db2.gz JFTSGTXFESDWRN-KBPBESRZSA-N 2 1 353.467 -1.052 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000576034029 483669634 /nfs/dbraw/zinc/66/96/34/483669634.db2.gz JFTSGTXFESDWRN-KGLIPLIRSA-N 2 1 353.467 -1.052 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000576034030 483669646 /nfs/dbraw/zinc/66/96/46/483669646.db2.gz JFTSGTXFESDWRN-UONOGXRCSA-N 2 1 353.467 -1.052 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000576034031 483669756 /nfs/dbraw/zinc/66/97/56/483669756.db2.gz JFTSGTXFESDWRN-ZIAGYGMSSA-N 2 1 353.467 -1.052 20 0 FAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576850126 483671451 /nfs/dbraw/zinc/67/14/51/483671451.db2.gz DPMITZPOFLOLIQ-CYBMUJFWSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576850126 483671449 /nfs/dbraw/zinc/67/14/49/483671449.db2.gz DPMITZPOFLOLIQ-CYBMUJFWSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576850127 483671127 /nfs/dbraw/zinc/67/11/27/483671127.db2.gz DPMITZPOFLOLIQ-ZDUSSCGKSA-N 2 1 369.466 -2.162 20 0 FAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576850127 483671122 /nfs/dbraw/zinc/67/11/22/483671122.db2.gz DPMITZPOFLOLIQ-ZDUSSCGKSA-N 2 1 369.466 -2.162 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000576928984 483671876 /nfs/dbraw/zinc/67/18/76/483671876.db2.gz NKDWUIZCJMYVOW-INIZCTEOSA-N 2 1 373.457 -1.075 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000576928987 483671635 /nfs/dbraw/zinc/67/16/35/483671635.db2.gz NKDWUIZCJMYVOW-MRXNPFEDSA-N 2 1 373.457 -1.075 20 0 FAADMP Cc1ccc(NCCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[nH+]c1 ZINC000576929055 483773679 /nfs/dbraw/zinc/77/36/79/483773679.db2.gz YDUIUZZQQRIGPX-UHFFFAOYSA-N 2 1 362.434 -1.144 20 0 FAADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577412601 483673525 /nfs/dbraw/zinc/67/35/25/483673525.db2.gz UOZKOPINIWZFFV-CABCVRRESA-N 2 1 352.483 -1.034 20 0 FAADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000577412611 483673481 /nfs/dbraw/zinc/67/34/81/483673481.db2.gz UOZKOPINIWZFFV-GJZGRUSLSA-N 2 1 352.483 -1.034 20 0 FAADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577412613 483673429 /nfs/dbraw/zinc/67/34/29/483673429.db2.gz UOZKOPINIWZFFV-HUUCEWRRSA-N 2 1 352.483 -1.034 20 0 FAADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000577412619 483673332 /nfs/dbraw/zinc/67/33/32/483673332.db2.gz UOZKOPINIWZFFV-LSDHHAIUSA-N 2 1 352.483 -1.034 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000577530666 483673563 /nfs/dbraw/zinc/67/35/63/483673563.db2.gz PRXKGICNKHYOSB-AVGNSLFASA-N 2 1 353.423 -2.406 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000577530667 483673345 /nfs/dbraw/zinc/67/33/45/483673345.db2.gz PRXKGICNKHYOSB-RWMBFGLXSA-N 2 1 353.423 -2.406 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000577530668 483673362 /nfs/dbraw/zinc/67/33/62/483673362.db2.gz PRXKGICNKHYOSB-XQQFMLRXSA-N 2 1 353.423 -2.406 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000577530669 483673299 /nfs/dbraw/zinc/67/32/99/483673299.db2.gz PRXKGICNKHYOSB-YNEHKIRRSA-N 2 1 353.423 -2.406 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578380951 483680238 /nfs/dbraw/zinc/68/02/38/483680238.db2.gz LMNKZAOFSTUAQT-BARDWOONSA-N 2 1 365.478 -1.007 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578380952 483680200 /nfs/dbraw/zinc/68/02/00/483680200.db2.gz LMNKZAOFSTUAQT-CBBWQLFWSA-N 2 1 365.478 -1.007 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578380953 483680191 /nfs/dbraw/zinc/68/01/91/483680191.db2.gz LMNKZAOFSTUAQT-LXTVHRRPSA-N 2 1 365.478 -1.007 20 0 FAADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578380954 483679819 /nfs/dbraw/zinc/67/98/19/483679819.db2.gz LMNKZAOFSTUAQT-QPSCCSFWSA-N 2 1 365.478 -1.007 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579000304 483681670 /nfs/dbraw/zinc/68/16/70/483681670.db2.gz HMOJFCHBDODOLB-KBPBESRZSA-N 2 1 353.467 -1.087 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000579000316 483681347 /nfs/dbraw/zinc/68/13/47/483681347.db2.gz HMOJFCHBDODOLB-KGLIPLIRSA-N 2 1 353.467 -1.087 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579000317 483681500 /nfs/dbraw/zinc/68/15/00/483681500.db2.gz HMOJFCHBDODOLB-UONOGXRCSA-N 2 1 353.467 -1.087 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000579000318 483681697 /nfs/dbraw/zinc/68/16/97/483681697.db2.gz HMOJFCHBDODOLB-ZIAGYGMSSA-N 2 1 353.467 -1.087 20 0 FAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579215787 483681307 /nfs/dbraw/zinc/68/13/07/483681307.db2.gz DSDWLXZPEZVXMA-GFCCVEGCSA-N 2 1 357.480 -1.148 20 0 FAADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579215787 483681304 /nfs/dbraw/zinc/68/13/04/483681304.db2.gz DSDWLXZPEZVXMA-GFCCVEGCSA-N 2 1 357.480 -1.148 20 0 FAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579215788 483681679 /nfs/dbraw/zinc/68/16/79/483681679.db2.gz DSDWLXZPEZVXMA-LBPRGKRZSA-N 2 1 357.480 -1.148 20 0 FAADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579215788 483681677 /nfs/dbraw/zinc/68/16/77/483681677.db2.gz DSDWLXZPEZVXMA-LBPRGKRZSA-N 2 1 357.480 -1.148 20 0 FAADMP COCC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000579950664 483683987 /nfs/dbraw/zinc/68/39/87/483683987.db2.gz NBOBNHGXJYUAHH-UHFFFAOYSA-N 2 1 360.480 -1.552 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000580096431 482735398 /nfs/dbraw/zinc/73/53/98/482735398.db2.gz DWMOYZVPLVNXEJ-ARFHVFGLSA-N 2 1 367.494 -1.297 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000580096432 482734975 /nfs/dbraw/zinc/73/49/75/482734975.db2.gz DWMOYZVPLVNXEJ-BZUAXINKSA-N 2 1 367.494 -1.297 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000580096433 482734718 /nfs/dbraw/zinc/73/47/18/482734718.db2.gz DWMOYZVPLVNXEJ-OAGGEKHMSA-N 2 1 367.494 -1.297 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000580096434 482735465 /nfs/dbraw/zinc/73/54/65/482735465.db2.gz DWMOYZVPLVNXEJ-XHSDSOJGSA-N 2 1 367.494 -1.297 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580098058 482734557 /nfs/dbraw/zinc/73/45/57/482734557.db2.gz ZBAGGLCFPXJDKG-HZSPNIEDSA-N 2 1 367.450 -2.016 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580098059 482734107 /nfs/dbraw/zinc/73/41/07/482734107.db2.gz ZBAGGLCFPXJDKG-MCIONIFRSA-N 2 1 367.450 -2.016 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580098060 482735257 /nfs/dbraw/zinc/73/52/57/482735257.db2.gz ZBAGGLCFPXJDKG-MGPQQGTHSA-N 2 1 367.450 -2.016 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580098061 482735124 /nfs/dbraw/zinc/73/51/24/482735124.db2.gz ZBAGGLCFPXJDKG-RDBSUJKOSA-N 2 1 367.450 -2.016 20 0 FAADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000580533972 483668935 /nfs/dbraw/zinc/66/89/35/483668935.db2.gz DUHYRZVKQBPUQT-UHFFFAOYSA-N 2 1 353.467 -1.133 20 0 FAADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000581073085 483685515 /nfs/dbraw/zinc/68/55/15/483685515.db2.gz AKMCEEFQSXJQFV-CABCVRRESA-N 2 1 365.478 -1.133 20 0 FAADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000581073090 483685094 /nfs/dbraw/zinc/68/50/94/483685094.db2.gz AKMCEEFQSXJQFV-GJZGRUSLSA-N 2 1 365.478 -1.133 20 0 FAADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000581073093 483685252 /nfs/dbraw/zinc/68/52/52/483685252.db2.gz AKMCEEFQSXJQFV-HUUCEWRRSA-N 2 1 365.478 -1.133 20 0 FAADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000581073096 483685347 /nfs/dbraw/zinc/68/53/47/483685347.db2.gz AKMCEEFQSXJQFV-LSDHHAIUSA-N 2 1 365.478 -1.133 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581143432 483684953 /nfs/dbraw/zinc/68/49/53/483684953.db2.gz OYKIEWKCTFPFSS-CHWSQXEVSA-N 2 1 355.439 -2.159 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581143437 483685494 /nfs/dbraw/zinc/68/54/94/483685494.db2.gz OYKIEWKCTFPFSS-OLZOCXBDSA-N 2 1 355.439 -2.159 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581143439 483685216 /nfs/dbraw/zinc/68/52/16/483685216.db2.gz OYKIEWKCTFPFSS-QWHCGFSZSA-N 2 1 355.439 -2.159 20 0 FAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581143440 483685147 /nfs/dbraw/zinc/68/51/47/483685147.db2.gz OYKIEWKCTFPFSS-STQMWFEESA-N 2 1 355.439 -2.159 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000581904579 483688033 /nfs/dbraw/zinc/68/80/33/483688033.db2.gz RSTRHNHBUXATOQ-UHFFFAOYSA-N 2 1 371.482 -1.697 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000581933496 483689244 /nfs/dbraw/zinc/68/92/44/483689244.db2.gz ASGHCZVCSAQTMI-AWEZNQCLSA-N 2 1 366.466 -1.634 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000581933497 483688732 /nfs/dbraw/zinc/68/87/32/483688732.db2.gz ASGHCZVCSAQTMI-CQSZACIVSA-N 2 1 366.466 -1.634 20 0 FAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582421928 483243067 /nfs/dbraw/zinc/24/30/67/483243067.db2.gz WDONZUPVXWBAIA-ZDUSSCGKSA-N 2 1 361.468 -2.468 20 0 FAADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000582677166 483265291 /nfs/dbraw/zinc/26/52/91/483265291.db2.gz OXADOWDXVTXXBL-HNNXBMFYSA-N 2 1 365.478 -1.133 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C[NH+]1CCOCC1 ZINC000582677561 483264296 /nfs/dbraw/zinc/26/42/96/483264296.db2.gz ZYDZETRJWXXNFH-HZSPNIEDSA-N 2 1 367.450 -2.159 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000582677562 483265213 /nfs/dbraw/zinc/26/52/13/483265213.db2.gz ZYDZETRJWXXNFH-MCIONIFRSA-N 2 1 367.450 -2.159 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000582677565 483264424 /nfs/dbraw/zinc/26/44/24/483264424.db2.gz ZYDZETRJWXXNFH-MGPQQGTHSA-N 2 1 367.450 -2.159 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C[NH+]1CCOCC1 ZINC000582677567 483265174 /nfs/dbraw/zinc/26/51/74/483265174.db2.gz ZYDZETRJWXXNFH-RDBSUJKOSA-N 2 1 367.450 -2.159 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000583015284 483269423 /nfs/dbraw/zinc/26/94/23/483269423.db2.gz VXKRXTAWPUPIAD-CYBMUJFWSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000583015284 483269418 /nfs/dbraw/zinc/26/94/18/483269418.db2.gz VXKRXTAWPUPIAD-CYBMUJFWSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000583015285 483270135 /nfs/dbraw/zinc/27/01/35/483270135.db2.gz VXKRXTAWPUPIAD-ZDUSSCGKSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000583015285 483270131 /nfs/dbraw/zinc/27/01/31/483270131.db2.gz VXKRXTAWPUPIAD-ZDUSSCGKSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000583036343 483269435 /nfs/dbraw/zinc/26/94/35/483269435.db2.gz LUJPZBXSPMZQDO-HZSPNIEDSA-N 2 1 351.451 -1.395 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000583036344 483269478 /nfs/dbraw/zinc/26/94/78/483269478.db2.gz LUJPZBXSPMZQDO-MCIONIFRSA-N 2 1 351.451 -1.395 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000583036345 483270364 /nfs/dbraw/zinc/27/03/64/483270364.db2.gz LUJPZBXSPMZQDO-MGPQQGTHSA-N 2 1 351.451 -1.395 20 0 FAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000583036346 483269159 /nfs/dbraw/zinc/26/91/59/483269159.db2.gz LUJPZBXSPMZQDO-RDBSUJKOSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)C[C@@H]21 ZINC000583138191 483271158 /nfs/dbraw/zinc/27/11/58/483271158.db2.gz XSFCWVVXRKNKTC-ILXRZTDVSA-N 2 1 363.462 -1.428 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCNCC4=O)C3)C[C@@H]21 ZINC000583138191 483271152 /nfs/dbraw/zinc/27/11/52/483271152.db2.gz XSFCWVVXRKNKTC-ILXRZTDVSA-N 2 1 363.462 -1.428 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)C[C@@H]21 ZINC000583138194 483271615 /nfs/dbraw/zinc/27/16/15/483271615.db2.gz XSFCWVVXRKNKTC-KFWWJZLASA-N 2 1 363.462 -1.428 20 0 FAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)C[C@@H]21 ZINC000583138194 483271606 /nfs/dbraw/zinc/27/16/06/483271606.db2.gz XSFCWVVXRKNKTC-KFWWJZLASA-N 2 1 363.462 -1.428 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000583257870 483272715 /nfs/dbraw/zinc/27/27/15/483272715.db2.gz BTQQFJAQWNYWGG-AWEZNQCLSA-N 2 1 355.483 -1.343 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000583257879 483272378 /nfs/dbraw/zinc/27/23/78/483272378.db2.gz BTQQFJAQWNYWGG-CQSZACIVSA-N 2 1 355.483 -1.343 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000583503858 483132259 /nfs/dbraw/zinc/13/22/59/483132259.db2.gz SKKDJQWXWFMKPM-CABCVRRESA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000583503858 483132253 /nfs/dbraw/zinc/13/22/53/483132253.db2.gz SKKDJQWXWFMKPM-CABCVRRESA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000583503859 483131642 /nfs/dbraw/zinc/13/16/42/483131642.db2.gz SKKDJQWXWFMKPM-GJZGRUSLSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000583503859 483131639 /nfs/dbraw/zinc/13/16/39/483131639.db2.gz SKKDJQWXWFMKPM-GJZGRUSLSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000583503860 483131693 /nfs/dbraw/zinc/13/16/93/483131693.db2.gz SKKDJQWXWFMKPM-HUUCEWRRSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000583503860 483131690 /nfs/dbraw/zinc/13/16/90/483131690.db2.gz SKKDJQWXWFMKPM-HUUCEWRRSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000583503861 483132063 /nfs/dbraw/zinc/13/20/63/483132063.db2.gz SKKDJQWXWFMKPM-LSDHHAIUSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000583503861 483132057 /nfs/dbraw/zinc/13/20/57/483132057.db2.gz SKKDJQWXWFMKPM-LSDHHAIUSA-N 2 1 365.478 -1.181 20 0 FAADMP O=C(CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000583683096 483202363 /nfs/dbraw/zinc/20/23/63/483202363.db2.gz MLAVCMGBIVECBX-UHFFFAOYSA-N 2 1 374.467 -2.953 20 0 FAADMP C[NH+](C)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1O ZINC000583899783 483282346 /nfs/dbraw/zinc/28/23/46/483282346.db2.gz FLMTXGNNNDFAFR-HRCADAONSA-N 2 1 368.478 -1.167 20 0 FAADMP C[NH+](C)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1O ZINC000583899784 483282011 /nfs/dbraw/zinc/28/20/11/483282011.db2.gz FLMTXGNNNDFAFR-JYJNAYRXSA-N 2 1 368.478 -1.167 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000584067158 482562026 /nfs/dbraw/zinc/56/20/26/482562026.db2.gz FKWQOKPIAUSHJP-INIZCTEOSA-N 2 1 369.510 -1.035 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000584067159 482562610 /nfs/dbraw/zinc/56/26/10/482562610.db2.gz FKWQOKPIAUSHJP-MRXNPFEDSA-N 2 1 369.510 -1.035 20 0 FAADMP [NH3+]CCc1nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000584722616 483282881 /nfs/dbraw/zinc/28/28/81/483282881.db2.gz RSZCYRFEDPTQEQ-UHFFFAOYSA-N 2 1 359.477 -1.296 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)CCN2C1=O ZINC000595240732 482825402 /nfs/dbraw/zinc/82/54/02/482825402.db2.gz YVXWDICQUFULIV-CHWSQXEVSA-N 2 1 369.385 -1.024 20 0 FAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)CCN2C1=O ZINC000595240733 482825550 /nfs/dbraw/zinc/82/55/50/482825550.db2.gz YVXWDICQUFULIV-OLZOCXBDSA-N 2 1 369.385 -1.024 20 0 FAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)CCN2C1=O ZINC000595240734 482825496 /nfs/dbraw/zinc/82/54/96/482825496.db2.gz YVXWDICQUFULIV-QWHCGFSZSA-N 2 1 369.385 -1.024 20 0 FAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)CCN2C1=O ZINC000595240735 482826461 /nfs/dbraw/zinc/82/64/61/482826461.db2.gz YVXWDICQUFULIV-STQMWFEESA-N 2 1 369.385 -1.024 20 0 FAADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595278430 482828219 /nfs/dbraw/zinc/82/82/19/482828219.db2.gz RNJHEHMAYFXJEP-ILXRZTDVSA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595278431 482827436 /nfs/dbraw/zinc/82/74/36/482827436.db2.gz RNJHEHMAYFXJEP-KFWWJZLASA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595278432 482827724 /nfs/dbraw/zinc/82/77/24/482827724.db2.gz RNJHEHMAYFXJEP-QLFBSQMISA-N 2 1 365.478 -1.007 20 0 FAADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595278433 482827594 /nfs/dbraw/zinc/82/75/94/482827594.db2.gz RNJHEHMAYFXJEP-RBSFLKMASA-N 2 1 365.478 -1.007 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000595279559 482828114 /nfs/dbraw/zinc/82/81/14/482828114.db2.gz NJKNXMUKAOSRTR-LOWDOPEQSA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000595279559 482828109 /nfs/dbraw/zinc/82/81/09/482828109.db2.gz NJKNXMUKAOSRTR-LOWDOPEQSA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000595279560 482827306 /nfs/dbraw/zinc/82/73/06/482827306.db2.gz NJKNXMUKAOSRTR-RVMXOQNASA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000595279560 482827301 /nfs/dbraw/zinc/82/73/01/482827301.db2.gz NJKNXMUKAOSRTR-RVMXOQNASA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000595279561 482828638 /nfs/dbraw/zinc/82/86/38/482828638.db2.gz NJKNXMUKAOSRTR-UMSGYPCISA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000595279561 482828631 /nfs/dbraw/zinc/82/86/31/482828631.db2.gz NJKNXMUKAOSRTR-UMSGYPCISA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000595279562 482828488 /nfs/dbraw/zinc/82/84/88/482828488.db2.gz NJKNXMUKAOSRTR-WUHRBBMRSA-N 2 1 353.423 -2.408 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000595279562 482828483 /nfs/dbraw/zinc/82/84/83/482828483.db2.gz NJKNXMUKAOSRTR-WUHRBBMRSA-N 2 1 353.423 -2.408 20 0 FAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595279847 482827219 /nfs/dbraw/zinc/82/72/19/482827219.db2.gz XDEXPOLQBYQVKY-HZSPNIEDSA-N 2 1 351.451 -1.253 20 0 FAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595279848 482828293 /nfs/dbraw/zinc/82/82/93/482828293.db2.gz XDEXPOLQBYQVKY-MCIONIFRSA-N 2 1 351.451 -1.253 20 0 FAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595279849 482827875 /nfs/dbraw/zinc/82/78/75/482827875.db2.gz XDEXPOLQBYQVKY-MGPQQGTHSA-N 2 1 351.451 -1.253 20 0 FAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595279850 482828042 /nfs/dbraw/zinc/82/80/42/482828042.db2.gz XDEXPOLQBYQVKY-RDBSUJKOSA-N 2 1 351.451 -1.253 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284488 482829765 /nfs/dbraw/zinc/82/97/65/482829765.db2.gz RXZJWIWTSSTIBI-APIJFGDWSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284489 482830620 /nfs/dbraw/zinc/83/06/20/482830620.db2.gz RXZJWIWTSSTIBI-KBUPBQIOSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284490 482830376 /nfs/dbraw/zinc/83/03/76/482830376.db2.gz RXZJWIWTSSTIBI-KBXIAJHMSA-N 2 1 363.462 -1.110 20 0 FAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284491 482829934 /nfs/dbraw/zinc/82/99/34/482829934.db2.gz RXZJWIWTSSTIBI-TUVASFSCSA-N 2 1 363.462 -1.110 20 0 FAADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595285062 482829265 /nfs/dbraw/zinc/82/92/65/482829265.db2.gz ZLSSBPNZYOMZJO-KBPBESRZSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595285064 482829808 /nfs/dbraw/zinc/82/98/08/482829808.db2.gz ZLSSBPNZYOMZJO-KGLIPLIRSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595285066 482830212 /nfs/dbraw/zinc/83/02/12/482830212.db2.gz ZLSSBPNZYOMZJO-UONOGXRCSA-N 2 1 353.467 -1.149 20 0 FAADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595285068 482830571 /nfs/dbraw/zinc/83/05/71/482830571.db2.gz ZLSSBPNZYOMZJO-ZIAGYGMSSA-N 2 1 353.467 -1.149 20 0 FAADMP COC(=O)c1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1CN1C[C@@H](O)[C@@H](O)C1 ZINC000595338316 482829541 /nfs/dbraw/zinc/82/95/41/482829541.db2.gz QHUBXWQXNWLNPE-WNKDZCFJSA-N 2 1 366.414 -1.452 20 0 FAADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1CN1C[C@@H](O)[C@@H](O)C1 ZINC000595338316 482829536 /nfs/dbraw/zinc/82/95/36/482829536.db2.gz QHUBXWQXNWLNPE-WNKDZCFJSA-N 2 1 366.414 -1.452 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000595979399 482833624 /nfs/dbraw/zinc/83/36/24/482833624.db2.gz DKTSJKLVWRTZHC-IHRRRGAJSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000595979399 482833616 /nfs/dbraw/zinc/83/36/16/482833616.db2.gz DKTSJKLVWRTZHC-IHRRRGAJSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000595979400 482833230 /nfs/dbraw/zinc/83/32/30/482833230.db2.gz DKTSJKLVWRTZHC-MCIONIFRSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000595979400 482833226 /nfs/dbraw/zinc/83/32/26/482833226.db2.gz DKTSJKLVWRTZHC-MCIONIFRSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1C ZINC000595979401 482835968 /nfs/dbraw/zinc/83/59/68/482835968.db2.gz DKTSJKLVWRTZHC-MJBXVCDLSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C ZINC000595979401 482835962 /nfs/dbraw/zinc/83/59/62/482835962.db2.gz DKTSJKLVWRTZHC-MJBXVCDLSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C ZINC000595979402 482835083 /nfs/dbraw/zinc/83/50/83/482835083.db2.gz DKTSJKLVWRTZHC-RDBSUJKOSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C ZINC000595979402 482835076 /nfs/dbraw/zinc/83/50/76/482835076.db2.gz DKTSJKLVWRTZHC-RDBSUJKOSA-N 2 1 351.451 -1.445 20 0 FAADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979433 482835661 /nfs/dbraw/zinc/83/56/61/482835661.db2.gz DSEQCRROQWFFFB-APIJFGDWSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595979434 482835164 /nfs/dbraw/zinc/83/51/64/482835164.db2.gz DSEQCRROQWFFFB-CBBWQLFWSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979435 482835008 /nfs/dbraw/zinc/83/50/08/482835008.db2.gz DSEQCRROQWFFFB-KBUPBQIOSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595979436 482835185 /nfs/dbraw/zinc/83/51/85/482835185.db2.gz DSEQCRROQWFFFB-LXTVHRRPSA-N 2 1 363.462 -1.301 20 0 FAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981004 482835043 /nfs/dbraw/zinc/83/50/43/482835043.db2.gz MPIVCINRYRUREX-BFHYXJOUSA-N 2 1 351.451 -1.443 20 0 FAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595981005 482836014 /nfs/dbraw/zinc/83/60/14/482836014.db2.gz MPIVCINRYRUREX-IHRRRGAJSA-N 2 1 351.451 -1.443 20 0 FAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595981006 482836095 /nfs/dbraw/zinc/83/60/95/482836095.db2.gz MPIVCINRYRUREX-MELADBBJSA-N 2 1 351.451 -1.443 20 0 FAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981007 482835890 /nfs/dbraw/zinc/83/58/90/482835890.db2.gz MPIVCINRYRUREX-MJBXVCDLSA-N 2 1 351.451 -1.443 20 0 FAADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595981014 482835277 /nfs/dbraw/zinc/83/52/77/482835277.db2.gz MTGVHMBSTPSRHT-KKUMJFAQSA-N 2 1 365.478 -1.053 20 0 FAADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981015 482836062 /nfs/dbraw/zinc/83/60/62/482836062.db2.gz MTGVHMBSTPSRHT-RRFJBIMHSA-N 2 1 365.478 -1.053 20 0 FAADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595981016 482835941 /nfs/dbraw/zinc/83/59/41/482835941.db2.gz MTGVHMBSTPSRHT-SOUVJXGZSA-N 2 1 365.478 -1.053 20 0 FAADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981017 482836113 /nfs/dbraw/zinc/83/61/13/482836113.db2.gz MTGVHMBSTPSRHT-ZNMIVQPWSA-N 2 1 365.478 -1.053 20 0 FAADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981757 482836973 /nfs/dbraw/zinc/83/69/73/482836973.db2.gz QMZLPRLLTHQGSS-KBPBESRZSA-N 2 1 362.434 -1.190 20 0 FAADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981758 482837319 /nfs/dbraw/zinc/83/73/19/482837319.db2.gz QMZLPRLLTHQGSS-KGLIPLIRSA-N 2 1 362.434 -1.190 20 0 FAADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981759 482837568 /nfs/dbraw/zinc/83/75/68/482837568.db2.gz QMZLPRLLTHQGSS-UONOGXRCSA-N 2 1 362.434 -1.190 20 0 FAADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981760 482837386 /nfs/dbraw/zinc/83/73/86/482837386.db2.gz QMZLPRLLTHQGSS-ZIAGYGMSSA-N 2 1 362.434 -1.190 20 0 FAADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981765 482837787 /nfs/dbraw/zinc/83/77/87/482837787.db2.gz PEBVZGCUPMGIBR-KBPBESRZSA-N 2 1 351.451 -1.301 20 0 FAADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981766 482837684 /nfs/dbraw/zinc/83/76/84/482837684.db2.gz PEBVZGCUPMGIBR-KGLIPLIRSA-N 2 1 351.451 -1.301 20 0 FAADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981767 482837553 /nfs/dbraw/zinc/83/75/53/482837553.db2.gz PEBVZGCUPMGIBR-UONOGXRCSA-N 2 1 351.451 -1.301 20 0 FAADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981768 482836734 /nfs/dbraw/zinc/83/67/34/482836734.db2.gz PEBVZGCUPMGIBR-ZIAGYGMSSA-N 2 1 351.451 -1.301 20 0 FAADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982048 482837032 /nfs/dbraw/zinc/83/70/32/482837032.db2.gz QXCTXBVRPABAMW-KKUMJFAQSA-N 2 1 374.445 -1.047 20 0 FAADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982051 482837436 /nfs/dbraw/zinc/83/74/36/482837436.db2.gz QXCTXBVRPABAMW-RRFJBIMHSA-N 2 1 374.445 -1.047 20 0 FAADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982054 482836908 /nfs/dbraw/zinc/83/69/08/482836908.db2.gz QXCTXBVRPABAMW-SOUVJXGZSA-N 2 1 374.445 -1.047 20 0 FAADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982056 482837231 /nfs/dbraw/zinc/83/72/31/482837231.db2.gz QXCTXBVRPABAMW-ZNMIVQPWSA-N 2 1 374.445 -1.047 20 0 FAADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982568 482837579 /nfs/dbraw/zinc/83/75/79/482837579.db2.gz URYTTWSXCIISEW-BARDWOONSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982569 482837153 /nfs/dbraw/zinc/83/71/53/482837153.db2.gz URYTTWSXCIISEW-CBBWQLFWSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982570 482837079 /nfs/dbraw/zinc/83/70/79/482837079.db2.gz URYTTWSXCIISEW-LXTVHRRPSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982571 482837642 /nfs/dbraw/zinc/83/76/42/482837642.db2.gz URYTTWSXCIISEW-QPSCCSFWSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H](C)C1 ZINC000595983370 482837772 /nfs/dbraw/zinc/83/77/72/482837772.db2.gz XTDFEJMRVDTEAK-BARDWOONSA-N 2 1 365.478 -1.055 20 0 FAADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H](C)C1 ZINC000595983371 482837404 /nfs/dbraw/zinc/83/74/04/482837404.db2.gz XTDFEJMRVDTEAK-TUVASFSCSA-N 2 1 365.478 -1.055 20 0 FAADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H](C)C1 ZINC000595983372 482837261 /nfs/dbraw/zinc/83/72/61/482837261.db2.gz XTDFEJMRVDTEAK-XQLPTFJDSA-N 2 1 365.478 -1.055 20 0 FAADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H](C)C1 ZINC000595983373 482837875 /nfs/dbraw/zinc/83/78/75/482837875.db2.gz XTDFEJMRVDTEAK-YJNKXOJESA-N 2 1 365.478 -1.055 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595984330 482838858 /nfs/dbraw/zinc/83/88/58/482838858.db2.gz ANRUEKYTFQPLGA-CHWSQXEVSA-N 2 1 367.450 -2.328 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595984331 482839212 /nfs/dbraw/zinc/83/92/12/482839212.db2.gz ANRUEKYTFQPLGA-OLZOCXBDSA-N 2 1 367.450 -2.328 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595984332 482839789 /nfs/dbraw/zinc/83/97/89/482839789.db2.gz ANRUEKYTFQPLGA-QWHCGFSZSA-N 2 1 367.450 -2.328 20 0 FAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595984333 482839697 /nfs/dbraw/zinc/83/96/97/482839697.db2.gz ANRUEKYTFQPLGA-STQMWFEESA-N 2 1 367.450 -2.328 20 0 FAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595986235 482838458 /nfs/dbraw/zinc/83/84/58/482838458.db2.gz GJOYGOFPVJUSNT-IHRRRGAJSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595986235 482838451 /nfs/dbraw/zinc/83/84/51/482838451.db2.gz GJOYGOFPVJUSNT-IHRRRGAJSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595986236 482839626 /nfs/dbraw/zinc/83/96/26/482839626.db2.gz GJOYGOFPVJUSNT-MCIONIFRSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595986236 482839625 /nfs/dbraw/zinc/83/96/25/482839625.db2.gz GJOYGOFPVJUSNT-MCIONIFRSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595986237 482839869 /nfs/dbraw/zinc/83/98/69/482839869.db2.gz GJOYGOFPVJUSNT-MJBXVCDLSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595986237 482839865 /nfs/dbraw/zinc/83/98/65/482839865.db2.gz GJOYGOFPVJUSNT-MJBXVCDLSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595986238 482839949 /nfs/dbraw/zinc/83/99/49/482839949.db2.gz GJOYGOFPVJUSNT-RDBSUJKOSA-N 2 1 351.451 -1.445 20 0 FAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595986238 482839943 /nfs/dbraw/zinc/83/99/43/482839943.db2.gz GJOYGOFPVJUSNT-RDBSUJKOSA-N 2 1 351.451 -1.445 20 0 FAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595987162 482838893 /nfs/dbraw/zinc/83/88/93/482838893.db2.gz JXEIYALFQHISQL-BFHYXJOUSA-N 2 1 351.451 -1.443 20 0 FAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595987164 482838482 /nfs/dbraw/zinc/83/84/82/482838482.db2.gz JXEIYALFQHISQL-IHRRRGAJSA-N 2 1 351.451 -1.443 20 0 FAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595987167 482838533 /nfs/dbraw/zinc/83/85/33/482838533.db2.gz JXEIYALFQHISQL-MELADBBJSA-N 2 1 351.451 -1.443 20 0 FAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595987169 482839154 /nfs/dbraw/zinc/83/91/54/482839154.db2.gz JXEIYALFQHISQL-MJBXVCDLSA-N 2 1 351.451 -1.443 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595987235 482839385 /nfs/dbraw/zinc/83/93/85/482839385.db2.gz KTAHHWCQLGUNNC-KBPBESRZSA-N 2 1 351.451 -1.443 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595987236 482839577 /nfs/dbraw/zinc/83/95/77/482839577.db2.gz KTAHHWCQLGUNNC-KGLIPLIRSA-N 2 1 351.451 -1.443 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595987237 482838841 /nfs/dbraw/zinc/83/88/41/482838841.db2.gz KTAHHWCQLGUNNC-UONOGXRCSA-N 2 1 351.451 -1.443 20 0 FAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595987238 482838412 /nfs/dbraw/zinc/83/84/12/482838412.db2.gz KTAHHWCQLGUNNC-ZIAGYGMSSA-N 2 1 351.451 -1.443 20 0 FAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC[C@@H]21 ZINC000595989347 482841097 /nfs/dbraw/zinc/84/10/97/482841097.db2.gz KELLTYYZPCBUNO-BARDWOONSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC[C@H]21 ZINC000595989348 482840704 /nfs/dbraw/zinc/84/07/04/482840704.db2.gz KELLTYYZPCBUNO-KBUPBQIOSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC[C@H]21 ZINC000595989349 482841320 /nfs/dbraw/zinc/84/13/20/482841320.db2.gz KELLTYYZPCBUNO-LXTVHRRPSA-N 2 1 363.462 -1.301 20 0 FAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC[C@@H]21 ZINC000595989350 482841770 /nfs/dbraw/zinc/84/17/70/482841770.db2.gz KELLTYYZPCBUNO-TUVASFSCSA-N 2 1 363.462 -1.301 20 0 FAADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595992058 482843999 /nfs/dbraw/zinc/84/39/99/482843999.db2.gz PSUAXPACYWYTDX-APIJFGDWSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595992060 482843229 /nfs/dbraw/zinc/84/32/29/482843229.db2.gz PSUAXPACYWYTDX-KBUPBQIOSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595992062 482843325 /nfs/dbraw/zinc/84/33/25/482843325.db2.gz PSUAXPACYWYTDX-KBXIAJHMSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595992063 482843369 /nfs/dbraw/zinc/84/33/69/482843369.db2.gz PSUAXPACYWYTDX-TUVASFSCSA-N 2 1 363.462 -1.158 20 0 FAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595994737 482843823 /nfs/dbraw/zinc/84/38/23/482843823.db2.gz VHQQCYFXLMFLAD-IGQOVBAYSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595994737 482843814 /nfs/dbraw/zinc/84/38/14/482843814.db2.gz VHQQCYFXLMFLAD-IGQOVBAYSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595994738 482843985 /nfs/dbraw/zinc/84/39/85/482843985.db2.gz VHQQCYFXLMFLAD-XDQVBPFNSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595994738 482843978 /nfs/dbraw/zinc/84/39/78/482843978.db2.gz VHQQCYFXLMFLAD-XDQVBPFNSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595994739 482842642 /nfs/dbraw/zinc/84/26/42/482842642.db2.gz VHQQCYFXLMFLAD-XJFOESAGSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595994739 482842637 /nfs/dbraw/zinc/84/26/37/482842637.db2.gz VHQQCYFXLMFLAD-XJFOESAGSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595994741 482842562 /nfs/dbraw/zinc/84/25/62/482842562.db2.gz VHQQCYFXLMFLAD-ZOBORPQBSA-N 2 1 351.451 -1.302 20 0 FAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595994741 482842557 /nfs/dbraw/zinc/84/25/57/482842557.db2.gz VHQQCYFXLMFLAD-ZOBORPQBSA-N 2 1 351.451 -1.302 20 0 FAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[N@@H+](C)C1 ZINC000595999194 482843108 /nfs/dbraw/zinc/84/31/08/482843108.db2.gz MVEGWDJNXONJLG-CRWXNKLISA-N 2 1 367.450 -2.066 20 0 FAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[N@@H+](C)C1 ZINC000595999195 482843155 /nfs/dbraw/zinc/84/31/55/482843155.db2.gz MVEGWDJNXONJLG-RFQIPJPRSA-N 2 1 367.450 -2.066 20 0 FAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[N@@H+](C)C1 ZINC000595999196 482843882 /nfs/dbraw/zinc/84/38/82/482843882.db2.gz MVEGWDJNXONJLG-XDQVBPFNSA-N 2 1 367.450 -2.066 20 0 FAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[N@@H+](C)C1 ZINC000595999197 482843449 /nfs/dbraw/zinc/84/34/49/482843449.db2.gz MVEGWDJNXONJLG-XUXIUFHCSA-N 2 1 367.450 -2.066 20 0 FAADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000596000691 482834275 /nfs/dbraw/zinc/83/42/75/482834275.db2.gz NMHAXVFZEVHROF-DEYYWGMASA-N 2 1 363.462 -1.299 20 0 FAADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000596000693 482833745 /nfs/dbraw/zinc/83/37/45/482833745.db2.gz NMHAXVFZEVHROF-GLJUWKHASA-N 2 1 363.462 -1.299 20 0 FAADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000596000694 482834352 /nfs/dbraw/zinc/83/43/52/482834352.db2.gz NMHAXVFZEVHROF-IYOUNJFTSA-N 2 1 363.462 -1.299 20 0 FAADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000596000695 482833863 /nfs/dbraw/zinc/83/38/63/482833863.db2.gz NMHAXVFZEVHROF-LBTNJELSSA-N 2 1 363.462 -1.299 20 0 FAADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000596001995 482834249 /nfs/dbraw/zinc/83/42/49/482834249.db2.gz QFBQXKDNHUCHIT-BFHYXJOUSA-N 2 1 351.451 -1.301 20 0 FAADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000596001997 482833258 /nfs/dbraw/zinc/83/32/58/482833258.db2.gz QFBQXKDNHUCHIT-IHRRRGAJSA-N 2 1 351.451 -1.301 20 0 FAADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000596001998 482833712 /nfs/dbraw/zinc/83/37/12/482833712.db2.gz QFBQXKDNHUCHIT-MELADBBJSA-N 2 1 351.451 -1.301 20 0 FAADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000596002000 482833276 /nfs/dbraw/zinc/83/32/76/482833276.db2.gz QFBQXKDNHUCHIT-MJBXVCDLSA-N 2 1 351.451 -1.301 20 0 FAADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600715027 482648204 /nfs/dbraw/zinc/64/82/04/482648204.db2.gz XETJMMFAFONRGU-UHFFFAOYSA-N 2 1 355.439 -1.349 20 0 FAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000612543349 483339445 /nfs/dbraw/zinc/33/94/45/483339445.db2.gz PAYVWHYIVKIJIG-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000612543350 483339276 /nfs/dbraw/zinc/33/92/76/483339276.db2.gz PAYVWHYIVKIJIG-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000612992369 483342159 /nfs/dbraw/zinc/34/21/59/483342159.db2.gz DRFUDOQVLCBGKG-CYBMUJFWSA-N 2 1 357.480 -1.243 20 0 FAADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000612992370 483341898 /nfs/dbraw/zinc/34/18/98/483341898.db2.gz DRFUDOQVLCBGKG-ZDUSSCGKSA-N 2 1 357.480 -1.243 20 0 FAADMP CC1[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000613522985 483538256 /nfs/dbraw/zinc/53/82/56/483538256.db2.gz PVHKJVOAJHVXLM-LBTBCDHLSA-N 2 1 368.478 -1.766 20 0 FAADMP C[C@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000613522986 483537901 /nfs/dbraw/zinc/53/79/01/483537901.db2.gz PVHKJVOAJHVXLM-PUMWCKSCSA-N 2 1 368.478 -1.766 20 0 FAADMP C[C@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000613522986 483537893 /nfs/dbraw/zinc/53/78/93/483537893.db2.gz PVHKJVOAJHVXLM-PUMWCKSCSA-N 2 1 368.478 -1.766 20 0 FAADMP C[C@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000613522986 483537887 /nfs/dbraw/zinc/53/78/87/483537887.db2.gz PVHKJVOAJHVXLM-PUMWCKSCSA-N 2 1 368.478 -1.766 20 0 FAADMP CC1[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000613522987 483538210 /nfs/dbraw/zinc/53/82/10/483538210.db2.gz PVHKJVOAJHVXLM-USJZOSNVSA-N 2 1 368.478 -1.766 20 0 FAADMP C[NH+](C)C[C@H](CO)NC(=O)c1cc(C(=O)N[C@H](CO)C[NH+](C)C)n[nH]1 ZINC000614857726 483561224 /nfs/dbraw/zinc/56/12/24/483561224.db2.gz CYOOHJZUNZNQOU-PHIMTYICSA-N 2 1 356.427 -2.286 20 0 FAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000617505020 483130790 /nfs/dbraw/zinc/13/07/90/483130790.db2.gz UARWOGIDXNIAAM-LBPRGKRZSA-N 2 1 360.484 -1.081 20 0 FAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000617505020 483130784 /nfs/dbraw/zinc/13/07/84/483130784.db2.gz UARWOGIDXNIAAM-LBPRGKRZSA-N 2 1 360.484 -1.081 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621837543 483710226 /nfs/dbraw/zinc/71/02/26/483710226.db2.gz KLWGPRWNRLBJGA-ACJLOTCBSA-N 2 1 365.478 -1.005 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621837544 483710029 /nfs/dbraw/zinc/71/00/29/483710029.db2.gz KLWGPRWNRLBJGA-FZKQIMNGSA-N 2 1 365.478 -1.005 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621837545 483709883 /nfs/dbraw/zinc/70/98/83/483709883.db2.gz KLWGPRWNRLBJGA-SCLBCKFNSA-N 2 1 365.478 -1.005 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621837546 483709985 /nfs/dbraw/zinc/70/99/85/483709985.db2.gz KLWGPRWNRLBJGA-UGSOOPFHSA-N 2 1 365.478 -1.005 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840792 483709815 /nfs/dbraw/zinc/70/98/15/483709815.db2.gz NAGOBHAWDBRPQI-CXAGYDPISA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840793 483710320 /nfs/dbraw/zinc/71/03/20/483710320.db2.gz NAGOBHAWDBRPQI-DYVFJYSZSA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840794 483710052 /nfs/dbraw/zinc/71/00/52/483710052.db2.gz NAGOBHAWDBRPQI-GUYCJALGSA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840795 483709980 /nfs/dbraw/zinc/70/99/80/483709980.db2.gz NAGOBHAWDBRPQI-SUMWQHHRSA-N 2 1 351.451 -1.394 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843597 483710905 /nfs/dbraw/zinc/71/09/05/483710905.db2.gz ICUXFJQHKNTZJA-PXAZEXFGSA-N 2 1 351.451 -1.347 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843598 483710633 /nfs/dbraw/zinc/71/06/33/483710633.db2.gz ICUXFJQHKNTZJA-SJCJKPOMSA-N 2 1 351.451 -1.347 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843599 483711090 /nfs/dbraw/zinc/71/10/90/483711090.db2.gz ICUXFJQHKNTZJA-SJKOYZFVSA-N 2 1 351.451 -1.347 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843600 483710579 /nfs/dbraw/zinc/71/05/79/483710579.db2.gz ICUXFJQHKNTZJA-YVEFUNNKSA-N 2 1 351.451 -1.347 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028972 483711508 /nfs/dbraw/zinc/71/15/08/483711508.db2.gz YKRDWPFFLYYQTR-KBXCAEBGSA-N 2 1 365.478 -1.051 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028973 483711297 /nfs/dbraw/zinc/71/12/97/483711297.db2.gz YKRDWPFFLYYQTR-KDOFPFPSSA-N 2 1 365.478 -1.051 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028974 483711706 /nfs/dbraw/zinc/71/17/06/483711706.db2.gz YKRDWPFFLYYQTR-KSSFIOAISA-N 2 1 365.478 -1.051 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028975 483711251 /nfs/dbraw/zinc/71/12/51/483711251.db2.gz YKRDWPFFLYYQTR-RDTXWAMCSA-N 2 1 365.478 -1.051 20 0 FAADMP O[C@@H]1CC[NH+](CCNc2ncc(Cl)c(NCC[N@H+]3CC[C@@H](O)C3)n2)C1 ZINC000624677286 482539136 /nfs/dbraw/zinc/53/91/36/482539136.db2.gz BTTCJUQAUWTJBU-CHWSQXEVSA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@@H]1CC[NH+](CCNc2ncc(Cl)c(NCC[N@@H+]3CC[C@@H](O)C3)n2)C1 ZINC000624677286 482539132 /nfs/dbraw/zinc/53/91/32/482539132.db2.gz BTTCJUQAUWTJBU-CHWSQXEVSA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@@H]1CC[NH+](CCNc2nc(NCC[N@@H+]3CC[C@@H](O)C3)ncc2Cl)C1 ZINC000624677286 482539129 /nfs/dbraw/zinc/53/91/29/482539129.db2.gz BTTCJUQAUWTJBU-CHWSQXEVSA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@@H]1CC[NH+](CCNc2nc(NCC[N@H+]3CC[C@@H](O)C3)ncc2Cl)C1 ZINC000624677286 482539125 /nfs/dbraw/zinc/53/91/25/482539125.db2.gz BTTCJUQAUWTJBU-CHWSQXEVSA-N 2 1 370.885 -1.069 20 0 FAADMP COc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624677318 482539679 /nfs/dbraw/zinc/53/96/79/482539679.db2.gz FBBWHXHFCHKVTG-CHWSQXEVSA-N 2 1 367.454 -2.319 20 0 FAADMP CNc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624677949 482538245 /nfs/dbraw/zinc/53/82/45/482538245.db2.gz BKFYFZQJONHWNE-CHWSQXEVSA-N 2 1 366.470 -2.864 20 0 FAADMP Cc1cnc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624677958 482538424 /nfs/dbraw/zinc/53/84/24/482538424.db2.gz LXRVXGJVSLERMN-HUUCEWRRSA-N 2 1 350.467 -1.414 20 0 FAADMP Cc1cnc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624677958 482538417 /nfs/dbraw/zinc/53/84/17/482538417.db2.gz LXRVXGJVSLERMN-HUUCEWRRSA-N 2 1 350.467 -1.414 20 0 FAADMP Cc1cnc(NCC[N@H+]2CC[C@@H](O)C2)nc1NCC[NH+]1CC[C@@H](O)C1 ZINC000624677958 482538411 /nfs/dbraw/zinc/53/84/11/482538411.db2.gz LXRVXGJVSLERMN-HUUCEWRRSA-N 2 1 350.467 -1.414 20 0 FAADMP COc1cnc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624678774 482539434 /nfs/dbraw/zinc/53/94/34/482539434.db2.gz FKEUGZSQNVALCA-ZIAGYGMSSA-N 2 1 366.466 -1.714 20 0 FAADMP COc1cnc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624678774 482539429 /nfs/dbraw/zinc/53/94/29/482539429.db2.gz FKEUGZSQNVALCA-ZIAGYGMSSA-N 2 1 366.466 -1.714 20 0 FAADMP COc1cnc(NCC[N@H+]2CC[C@@H](O)C2)nc1NCC[NH+]1CC[C@@H](O)C1 ZINC000624678774 482539424 /nfs/dbraw/zinc/53/94/24/482539424.db2.gz FKEUGZSQNVALCA-ZIAGYGMSSA-N 2 1 366.466 -1.714 20 0 FAADMP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)c1F ZINC000624681267 482538550 /nfs/dbraw/zinc/53/85/50/482538550.db2.gz OORJWPUEBMJOEW-ZIAGYGMSSA-N 2 1 368.457 -1.275 20 0 FAADMP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@@H+]2CC[C@@H](O)C2)c1F ZINC000624681267 482538540 /nfs/dbraw/zinc/53/85/40/482538540.db2.gz OORJWPUEBMJOEW-ZIAGYGMSSA-N 2 1 368.457 -1.275 20 0 FAADMP Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)nc(NCC[NH+]2CC[C@@H](O)C2)c1F ZINC000624681267 482538531 /nfs/dbraw/zinc/53/85/31/482538531.db2.gz OORJWPUEBMJOEW-ZIAGYGMSSA-N 2 1 368.457 -1.275 20 0 FAADMP CNc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000624772652 482538684 /nfs/dbraw/zinc/53/86/84/482538684.db2.gz BKFYFZQJONHWNE-STQMWFEESA-N 2 1 366.470 -2.864 20 0 FAADMP O[C@H]1CC[NH+](CCNc2ncc(Cl)c(NCC[N@H+]3CC[C@H](O)C3)n2)C1 ZINC000624772664 482539250 /nfs/dbraw/zinc/53/92/50/482539250.db2.gz BTTCJUQAUWTJBU-STQMWFEESA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@H]1CC[NH+](CCNc2ncc(Cl)c(NCC[N@@H+]3CC[C@H](O)C3)n2)C1 ZINC000624772664 482539247 /nfs/dbraw/zinc/53/92/47/482539247.db2.gz BTTCJUQAUWTJBU-STQMWFEESA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@H]1CC[NH+](CCNc2nc(NCC[N@@H+]3CC[C@H](O)C3)ncc2Cl)C1 ZINC000624772664 482539244 /nfs/dbraw/zinc/53/92/44/482539244.db2.gz BTTCJUQAUWTJBU-STQMWFEESA-N 2 1 370.885 -1.069 20 0 FAADMP O[C@H]1CC[NH+](CCNc2nc(NCC[N@H+]3CC[C@H](O)C3)ncc2Cl)C1 ZINC000624772664 482539242 /nfs/dbraw/zinc/53/92/42/482539242.db2.gz BTTCJUQAUWTJBU-STQMWFEESA-N 2 1 370.885 -1.069 20 0 FAADMP COc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000624772739 482539996 /nfs/dbraw/zinc/53/99/96/482539996.db2.gz FBBWHXHFCHKVTG-STQMWFEESA-N 2 1 367.454 -2.319 20 0 FAADMP COc1cnc(NCC[NH+]2CC[C@H](O)C2)nc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624773223 482539077 /nfs/dbraw/zinc/53/90/77/482539077.db2.gz FKEUGZSQNVALCA-KBPBESRZSA-N 2 1 366.466 -1.714 20 0 FAADMP COc1cnc(NCC[NH+]2CC[C@H](O)C2)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624773223 482539073 /nfs/dbraw/zinc/53/90/73/482539073.db2.gz FKEUGZSQNVALCA-KBPBESRZSA-N 2 1 366.466 -1.714 20 0 FAADMP COc1cnc(NCC[N@H+]2CC[C@H](O)C2)nc1NCC[NH+]1CC[C@H](O)C1 ZINC000624773223 482539069 /nfs/dbraw/zinc/53/90/69/482539069.db2.gz FKEUGZSQNVALCA-KBPBESRZSA-N 2 1 366.466 -1.714 20 0 FAADMP Cc1cnc(NCC[NH+]2CC[C@H](O)C2)nc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624773983 482538746 /nfs/dbraw/zinc/53/87/46/482538746.db2.gz LXRVXGJVSLERMN-GJZGRUSLSA-N 2 1 350.467 -1.414 20 0 FAADMP Cc1cnc(NCC[NH+]2CC[C@H](O)C2)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624773983 482538741 /nfs/dbraw/zinc/53/87/41/482538741.db2.gz LXRVXGJVSLERMN-GJZGRUSLSA-N 2 1 350.467 -1.414 20 0 FAADMP Cc1cnc(NCC[N@H+]2CC[C@H](O)C2)nc1NCC[NH+]1CC[C@H](O)C1 ZINC000624773983 482538736 /nfs/dbraw/zinc/53/87/36/482538736.db2.gz LXRVXGJVSLERMN-GJZGRUSLSA-N 2 1 350.467 -1.414 20 0 FAADMP Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@H+]2CC[C@H](O)C2)c1F ZINC000624774477 482540118 /nfs/dbraw/zinc/54/01/18/482540118.db2.gz OORJWPUEBMJOEW-KBPBESRZSA-N 2 1 368.457 -1.275 20 0 FAADMP Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@@H+]2CC[C@H](O)C2)c1F ZINC000624774477 482540111 /nfs/dbraw/zinc/54/01/11/482540111.db2.gz OORJWPUEBMJOEW-KBPBESRZSA-N 2 1 368.457 -1.275 20 0 FAADMP Cc1nc(NCC[N@H+]2CC[C@H](O)C2)nc(NCC[NH+]2CC[C@H](O)C2)c1F ZINC000624774477 482540102 /nfs/dbraw/zinc/54/01/02/482540102.db2.gz OORJWPUEBMJOEW-KBPBESRZSA-N 2 1 368.457 -1.275 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626966208 483518540 /nfs/dbraw/zinc/51/85/40/483518540.db2.gz SGLIRBMRGVENOL-UHFFFAOYSA-N 2 1 356.471 -1.083 20 0 FAADMP [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000627147135 483534532 /nfs/dbraw/zinc/53/45/32/483534532.db2.gz DWVOVPUGHXABCC-UHFFFAOYSA-N 2 1 361.468 -1.877 20 0 FAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000627288142 483694828 /nfs/dbraw/zinc/69/48/28/483694828.db2.gz OGBKEDSPSASZAO-UONOGXRCSA-N 2 1 353.467 -1.088 20 0 FAADMP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627288159 483695086 /nfs/dbraw/zinc/69/50/86/483695086.db2.gz OSCDPYNZGTXMIQ-GXTWGEPZSA-N 2 1 353.467 -1.088 20 0 FAADMP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627288160 483694643 /nfs/dbraw/zinc/69/46/43/483694643.db2.gz OSCDPYNZGTXMIQ-JSGCOSHPSA-N 2 1 353.467 -1.088 20 0 FAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627288161 483694671 /nfs/dbraw/zinc/69/46/71/483694671.db2.gz OSCDPYNZGTXMIQ-OCCSQVGLSA-N 2 1 353.467 -1.088 20 0 FAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627288162 483694975 /nfs/dbraw/zinc/69/49/75/483694975.db2.gz OSCDPYNZGTXMIQ-TZMCWYRMSA-N 2 1 353.467 -1.088 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313577 483707401 /nfs/dbraw/zinc/70/74/01/483707401.db2.gz ISTAFOCXJUDNTI-AWEZNQCLSA-N 2 1 355.483 -1.295 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313577 483707399 /nfs/dbraw/zinc/70/73/99/483707399.db2.gz ISTAFOCXJUDNTI-AWEZNQCLSA-N 2 1 355.483 -1.295 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313578 483706738 /nfs/dbraw/zinc/70/67/38/483706738.db2.gz ISTAFOCXJUDNTI-CQSZACIVSA-N 2 1 355.483 -1.295 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313578 483706735 /nfs/dbraw/zinc/70/67/35/483706735.db2.gz ISTAFOCXJUDNTI-CQSZACIVSA-N 2 1 355.483 -1.295 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313720 483707522 /nfs/dbraw/zinc/70/75/22/483707522.db2.gz LDUQHTFYFVQHME-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313720 483707519 /nfs/dbraw/zinc/70/75/19/483707519.db2.gz LDUQHTFYFVQHME-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627313721 483707111 /nfs/dbraw/zinc/70/71/11/483707111.db2.gz LDUQHTFYFVQHME-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627313721 483707108 /nfs/dbraw/zinc/70/71/08/483707108.db2.gz LDUQHTFYFVQHME-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314305 483706948 /nfs/dbraw/zinc/70/69/48/483706948.db2.gz ZMFNOGCEMPYONK-AWEZNQCLSA-N 2 1 355.483 -1.247 20 0 FAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314305 483706947 /nfs/dbraw/zinc/70/69/47/483706947.db2.gz ZMFNOGCEMPYONK-AWEZNQCLSA-N 2 1 355.483 -1.247 20 0 FAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314306 483707002 /nfs/dbraw/zinc/70/70/02/483707002.db2.gz ZMFNOGCEMPYONK-CQSZACIVSA-N 2 1 355.483 -1.247 20 0 FAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314306 483707000 /nfs/dbraw/zinc/70/70/00/483707000.db2.gz ZMFNOGCEMPYONK-CQSZACIVSA-N 2 1 355.483 -1.247 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000627319528 483707875 /nfs/dbraw/zinc/70/78/75/483707875.db2.gz WEISISBUCNFLOZ-UHFFFAOYSA-N 2 1 366.466 -1.634 20 0 FAADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000627324535 483707803 /nfs/dbraw/zinc/70/78/03/483707803.db2.gz DRAQSGZQRYPPBC-HNNXBMFYSA-N 2 1 357.499 -1.192 20 0 FAADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000627324536 483708012 /nfs/dbraw/zinc/70/80/12/483708012.db2.gz DRAQSGZQRYPPBC-OAHLLOKOSA-N 2 1 357.499 -1.192 20 0 FAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627329567 483709088 /nfs/dbraw/zinc/70/90/88/483709088.db2.gz NLIJFRCDPAEHJT-CQSZACIVSA-N 2 1 361.450 -1.417 20 0 FAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000627329895 483709051 /nfs/dbraw/zinc/70/90/51/483709051.db2.gz YDDJJLXIBMULQN-UHFFFAOYSA-N 2 1 363.466 -1.088 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334335 483709636 /nfs/dbraw/zinc/70/96/36/483709636.db2.gz NJCODGFVDGINSE-UHFFFAOYSA-N 2 1 357.499 -1.177 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351009 658834752 /nfs/dbraw/zinc/83/47/52/658834752.db2.gz HWKXGEURHJALCP-UHFFFAOYSA-N 2 1 357.455 -2.039 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627351247 658834050 /nfs/dbraw/zinc/83/40/50/658834050.db2.gz MXMGNCOKIONAMU-CYBMUJFWSA-N 2 1 351.451 -1.333 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627351248 658833579 /nfs/dbraw/zinc/83/35/79/658833579.db2.gz MXMGNCOKIONAMU-ZDUSSCGKSA-N 2 1 351.451 -1.333 20 0 FAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627351719 658834545 /nfs/dbraw/zinc/83/45/45/658834545.db2.gz AUNFQZRHIJZAHO-HZSPNIEDSA-N 2 1 353.467 -1.053 20 0 FAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000627351720 658834853 /nfs/dbraw/zinc/83/48/53/658834853.db2.gz AUNFQZRHIJZAHO-MELADBBJSA-N 2 1 353.467 -1.053 20 0 FAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[NH2+]1 ZINC000627351831 658834810 /nfs/dbraw/zinc/83/48/10/658834810.db2.gz DOGOJYCOHQYJHY-HZSPNIEDSA-N 2 1 353.467 -1.053 20 0 FAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[NH2+]1 ZINC000627351832 658834686 /nfs/dbraw/zinc/83/46/86/658834686.db2.gz DOGOJYCOHQYJHY-MCIONIFRSA-N 2 1 353.467 -1.053 20 0 FAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[NH2+]1 ZINC000627351833 658834415 /nfs/dbraw/zinc/83/44/15/658834415.db2.gz DOGOJYCOHQYJHY-MGPQQGTHSA-N 2 1 353.467 -1.053 20 0 FAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[NH2+]1 ZINC000627351834 658383369 /nfs/dbraw/zinc/38/33/69/658383369.db2.gz DOGOJYCOHQYJHY-RDBSUJKOSA-N 2 1 353.467 -1.053 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627365211 483716927 /nfs/dbraw/zinc/71/69/27/483716927.db2.gz IYNHQKVHNKNGNA-HDICACEKSA-N 2 1 365.478 -1.229 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000627366314 483716630 /nfs/dbraw/zinc/71/66/30/483716630.db2.gz OTCMYENUXQWYGF-BFHYXJOUSA-N 2 1 353.467 -1.088 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000627366315 483716586 /nfs/dbraw/zinc/71/65/86/483716586.db2.gz OTCMYENUXQWYGF-MJBXVCDLSA-N 2 1 353.467 -1.088 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366514 483716745 /nfs/dbraw/zinc/71/67/45/483716745.db2.gz TXQQKZIJKCDEJR-KBPBESRZSA-N 2 1 369.466 -1.850 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366515 483716860 /nfs/dbraw/zinc/71/68/60/483716860.db2.gz TXQQKZIJKCDEJR-KGLIPLIRSA-N 2 1 369.466 -1.850 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366516 483716647 /nfs/dbraw/zinc/71/66/47/483716647.db2.gz TXQQKZIJKCDEJR-UONOGXRCSA-N 2 1 369.466 -1.850 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366517 483716554 /nfs/dbraw/zinc/71/65/54/483716554.db2.gz TXQQKZIJKCDEJR-ZIAGYGMSSA-N 2 1 369.466 -1.850 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627371221 483716811 /nfs/dbraw/zinc/71/68/11/483716811.db2.gz YQECBARHSJXVQR-GXTWGEPZSA-N 2 1 353.467 -1.040 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454062 483718703 /nfs/dbraw/zinc/71/87/03/483718703.db2.gz FYNCQEOPRGXDAF-UHFFFAOYSA-N 2 1 369.466 -1.767 20 0 FAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454472 483718504 /nfs/dbraw/zinc/71/85/04/483718504.db2.gz QHICPPFPYWQRHQ-CYBMUJFWSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454472 483718501 /nfs/dbraw/zinc/71/85/01/483718501.db2.gz QHICPPFPYWQRHQ-CYBMUJFWSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454473 483718691 /nfs/dbraw/zinc/71/86/91/483718691.db2.gz QHICPPFPYWQRHQ-ZDUSSCGKSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454473 483718688 /nfs/dbraw/zinc/71/86/88/483718688.db2.gz QHICPPFPYWQRHQ-ZDUSSCGKSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000627454797 483718835 /nfs/dbraw/zinc/71/88/35/483718835.db2.gz ZQNXXAJAIUGVQQ-CYBMUJFWSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000627454797 483718833 /nfs/dbraw/zinc/71/88/33/483718833.db2.gz ZQNXXAJAIUGVQQ-CYBMUJFWSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000627454798 483718800 /nfs/dbraw/zinc/71/88/00/483718800.db2.gz ZQNXXAJAIUGVQQ-ZDUSSCGKSA-N 2 1 356.467 -1.086 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000627454798 483718798 /nfs/dbraw/zinc/71/87/98/483718798.db2.gz ZQNXXAJAIUGVQQ-ZDUSSCGKSA-N 2 1 356.467 -1.086 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCOCC1 ZINC000627454973 483718725 /nfs/dbraw/zinc/71/87/25/483718725.db2.gz GJQAZBLAPQTUNH-AWEZNQCLSA-N 2 1 354.451 -1.209 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCOCC1 ZINC000627454974 483718685 /nfs/dbraw/zinc/71/86/85/483718685.db2.gz GJQAZBLAPQTUNH-CQSZACIVSA-N 2 1 354.451 -1.209 20 0 FAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627455028 483718730 /nfs/dbraw/zinc/71/87/30/483718730.db2.gz IICVJTFYKJGNLR-HNNXBMFYSA-N 2 1 367.494 -1.151 20 0 FAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627455029 483718790 /nfs/dbraw/zinc/71/87/90/483718790.db2.gz IICVJTFYKJGNLR-OAHLLOKOSA-N 2 1 367.494 -1.151 20 0 FAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000627459664 483718455 /nfs/dbraw/zinc/71/84/55/483718455.db2.gz ORBHCMADMSZZGT-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627461267 483718852 /nfs/dbraw/zinc/71/88/52/483718852.db2.gz KLRMXWTWPWVJMA-INIZCTEOSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627461267 483718849 /nfs/dbraw/zinc/71/88/49/483718849.db2.gz KLRMXWTWPWVJMA-INIZCTEOSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627461268 483718804 /nfs/dbraw/zinc/71/88/04/483718804.db2.gz KLRMXWTWPWVJMA-MRXNPFEDSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627461268 483718803 /nfs/dbraw/zinc/71/88/03/483718803.db2.gz KLRMXWTWPWVJMA-MRXNPFEDSA-N 2 1 369.510 -1.035 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000627462880 483718575 /nfs/dbraw/zinc/71/85/75/483718575.db2.gz HJKGRDHCWMKEKA-AWEZNQCLSA-N 2 1 369.466 -1.896 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000627462881 483718534 /nfs/dbraw/zinc/71/85/34/483718534.db2.gz HJKGRDHCWMKEKA-CQSZACIVSA-N 2 1 369.466 -1.896 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000627463178 483344367 /nfs/dbraw/zinc/34/43/67/483344367.db2.gz PLUNNHMGBOIKAQ-UHFFFAOYSA-N 2 1 357.455 -2.039 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000627464015 483718816 /nfs/dbraw/zinc/71/88/16/483718816.db2.gz OWFNIAOAANHFBL-HNNXBMFYSA-N 2 1 355.483 -1.423 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000627464016 483718786 /nfs/dbraw/zinc/71/87/86/483718786.db2.gz OWFNIAOAANHFBL-OAHLLOKOSA-N 2 1 355.483 -1.423 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000627464409 483719498 /nfs/dbraw/zinc/71/94/98/483719498.db2.gz AIFLTCZIDYQJOL-INIZCTEOSA-N 2 1 369.510 -1.033 20 0 FAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000627464410 483719091 /nfs/dbraw/zinc/71/90/91/483719091.db2.gz AIFLTCZIDYQJOL-MRXNPFEDSA-N 2 1 369.510 -1.033 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627469106 483719278 /nfs/dbraw/zinc/71/92/78/483719278.db2.gz LXHAHWMIXKICRI-CVEARBPZSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627469107 483719381 /nfs/dbraw/zinc/71/93/81/483719381.db2.gz LXHAHWMIXKICRI-HOTGVXAUSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627469108 483719655 /nfs/dbraw/zinc/71/96/55/483719655.db2.gz LXHAHWMIXKICRI-HZPDHXFCSA-N 2 1 367.494 -1.281 20 0 FAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627469109 483719555 /nfs/dbraw/zinc/71/95/55/483719555.db2.gz LXHAHWMIXKICRI-JKSUJKDBSA-N 2 1 367.494 -1.281 20 0 FAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470118 483719503 /nfs/dbraw/zinc/71/95/03/483719503.db2.gz LRISTLNVKCPIJM-KBPBESRZSA-N 2 1 354.451 -1.197 20 0 FAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470119 483719463 /nfs/dbraw/zinc/71/94/63/483719463.db2.gz LRISTLNVKCPIJM-KGLIPLIRSA-N 2 1 354.451 -1.197 20 0 FAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470120 483719517 /nfs/dbraw/zinc/71/95/17/483719517.db2.gz LRISTLNVKCPIJM-UONOGXRCSA-N 2 1 354.451 -1.197 20 0 FAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470121 483719615 /nfs/dbraw/zinc/71/96/15/483719615.db2.gz LRISTLNVKCPIJM-ZIAGYGMSSA-N 2 1 354.451 -1.197 20 0 FAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000627470664 483719116 /nfs/dbraw/zinc/71/91/16/483719116.db2.gz WWEFRKLSXVCOMA-CABCVRRESA-N 2 1 353.467 -1.671 20 0 FAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)C1 ZINC000627470665 483719767 /nfs/dbraw/zinc/71/97/67/483719767.db2.gz WWEFRKLSXVCOMA-GJZGRUSLSA-N 2 1 353.467 -1.671 20 0 FAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000627470666 483719624 /nfs/dbraw/zinc/71/96/24/483719624.db2.gz WWEFRKLSXVCOMA-HUUCEWRRSA-N 2 1 353.467 -1.671 20 0 FAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)C1 ZINC000627470667 483719610 /nfs/dbraw/zinc/71/96/10/483719610.db2.gz WWEFRKLSXVCOMA-LSDHHAIUSA-N 2 1 353.467 -1.671 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627472701 483719701 /nfs/dbraw/zinc/71/97/01/483719701.db2.gz WPACERRMUKDYNW-KBPBESRZSA-N 2 1 367.450 -2.144 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627472702 483719185 /nfs/dbraw/zinc/71/91/85/483719185.db2.gz WPACERRMUKDYNW-KGLIPLIRSA-N 2 1 367.450 -2.144 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627472703 483719443 /nfs/dbraw/zinc/71/94/43/483719443.db2.gz WPACERRMUKDYNW-UONOGXRCSA-N 2 1 367.450 -2.144 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627472704 483719425 /nfs/dbraw/zinc/71/94/25/483719425.db2.gz WPACERRMUKDYNW-ZIAGYGMSSA-N 2 1 367.450 -2.144 20 0 FAADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627479690 483721298 /nfs/dbraw/zinc/72/12/98/483721298.db2.gz FUARPEGLPBYASW-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627479691 483721127 /nfs/dbraw/zinc/72/11/27/483721127.db2.gz FUARPEGLPBYASW-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627479692 483721139 /nfs/dbraw/zinc/72/11/39/483721139.db2.gz FUARPEGLPBYASW-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627479693 483720936 /nfs/dbraw/zinc/72/09/36/483720936.db2.gz FUARPEGLPBYASW-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627486094 483721311 /nfs/dbraw/zinc/72/13/11/483721311.db2.gz RQBWPIHHQGBCQN-HNNXBMFYSA-N 2 1 355.483 -1.294 20 0 FAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627486095 483720966 /nfs/dbraw/zinc/72/09/66/483720966.db2.gz RQBWPIHHQGBCQN-OAHLLOKOSA-N 2 1 355.483 -1.294 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486675 483721174 /nfs/dbraw/zinc/72/11/74/483721174.db2.gz ISXJDHMFZPTOTQ-AWEZNQCLSA-N 2 1 369.466 -1.767 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486676 483720831 /nfs/dbraw/zinc/72/08/31/483720831.db2.gz ISXJDHMFZPTOTQ-CQSZACIVSA-N 2 1 369.466 -1.767 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486890 483721123 /nfs/dbraw/zinc/72/11/23/483721123.db2.gz NUCJQGSEYAFATN-UHFFFAOYSA-N 2 1 357.455 -1.910 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000627500988 483720990 /nfs/dbraw/zinc/72/09/90/483720990.db2.gz STQBQXDCILWJLX-BFHYXJOUSA-N 2 1 351.451 -1.382 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000627500989 483721159 /nfs/dbraw/zinc/72/11/59/483721159.db2.gz STQBQXDCILWJLX-MJBXVCDLSA-N 2 1 351.451 -1.382 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000627501530 483721037 /nfs/dbraw/zinc/72/10/37/483721037.db2.gz OEFOHFAOFBPSBM-DZGCQCFKSA-N 2 1 365.478 -1.134 20 0 FAADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627504963 483721718 /nfs/dbraw/zinc/72/17/18/483721718.db2.gz OXADOWDXVTXXBL-OAHLLOKOSA-N 2 1 365.478 -1.133 20 0 FAADMP CC1[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629164917 483368385 /nfs/dbraw/zinc/36/83/85/483368385.db2.gz DSOHTRMCWQYEDC-WCVJEAGWSA-N 2 1 368.478 -1.766 20 0 FAADMP CC(CC(=O)NCC[NH+]1CC[C@@H](O)C1)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629168688 483368313 /nfs/dbraw/zinc/36/83/13/483368313.db2.gz DWMPPFRXNAGUSW-HZPDHXFCSA-N 2 1 370.494 -1.232 20 0 FAADMP C[C@H](C(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170074 483368099 /nfs/dbraw/zinc/36/80/99/483368099.db2.gz RBDCBDTUEPLZGX-CAOSSQGBSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170075 483368361 /nfs/dbraw/zinc/36/83/61/483368361.db2.gz RBDCBDTUEPLZGX-KLHDSHLOSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170076 483368332 /nfs/dbraw/zinc/36/83/32/483368332.db2.gz RBDCBDTUEPLZGX-QKPAOTATSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170076 483368329 /nfs/dbraw/zinc/36/83/29/483368329.db2.gz RBDCBDTUEPLZGX-QKPAOTATSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H](C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629170076 483368326 /nfs/dbraw/zinc/36/83/26/483368326.db2.gz RBDCBDTUEPLZGX-QKPAOTATSA-N 2 1 370.494 -1.376 20 0 FAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)C1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000629173562 483368952 /nfs/dbraw/zinc/36/89/52/483368952.db2.gz MXFBZSUBTPUZHM-HUUCEWRRSA-N 2 1 368.478 -1.478 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629175713 483368865 /nfs/dbraw/zinc/36/88/65/483368865.db2.gz XUDXZKQQLATBCM-CVEARBPZSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175713 483368862 /nfs/dbraw/zinc/36/88/62/483368862.db2.gz XUDXZKQQLATBCM-CVEARBPZSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629175719 483368773 /nfs/dbraw/zinc/36/87/73/483368773.db2.gz XUDXZKQQLATBCM-HZPDHXFCSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175719 483368769 /nfs/dbraw/zinc/36/87/69/483368769.db2.gz XUDXZKQQLATBCM-HZPDHXFCSA-N 2 1 368.478 -1.118 20 0 FAADMP C[NH2+]CCOCC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000629571537 483389244 /nfs/dbraw/zinc/38/92/44/483389244.db2.gz NWFLSJQAXAIVMG-UHFFFAOYSA-N 2 1 352.439 -1.008 20 0 FAADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000629578172 483389110 /nfs/dbraw/zinc/38/91/10/483389110.db2.gz NQNGJHGFQKGOHH-UHFFFAOYSA-N 2 1 357.499 -1.048 20 0 FAADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000629578172 483389108 /nfs/dbraw/zinc/38/91/08/483389108.db2.gz NQNGJHGFQKGOHH-UHFFFAOYSA-N 2 1 357.499 -1.048 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000629791885 483391934 /nfs/dbraw/zinc/39/19/34/483391934.db2.gz RWRQELIAQCXLFX-UHFFFAOYSA-N 2 1 357.499 -1.096 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000629791885 483391931 /nfs/dbraw/zinc/39/19/31/483391931.db2.gz RWRQELIAQCXLFX-UHFFFAOYSA-N 2 1 357.499 -1.096 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000629795343 483391691 /nfs/dbraw/zinc/39/16/91/483391691.db2.gz BXPUHZXWWVWJSK-HNNXBMFYSA-N 2 1 355.483 -1.342 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000629795347 483391453 /nfs/dbraw/zinc/39/14/53/483391453.db2.gz BXPUHZXWWVWJSK-OAHLLOKOSA-N 2 1 355.483 -1.342 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000629798464 483391742 /nfs/dbraw/zinc/39/17/42/483391742.db2.gz WUHBVNDQNKODKS-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000629798467 483391550 /nfs/dbraw/zinc/39/15/50/483391550.db2.gz WUHBVNDQNKODKS-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629799769 483392466 /nfs/dbraw/zinc/39/24/66/483392466.db2.gz LOTKWBJJDLGESJ-UHFFFAOYSA-N 2 1 357.455 -1.957 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000629800405 483392543 /nfs/dbraw/zinc/39/25/43/483392543.db2.gz RVEMCHCNLXIVAB-UHFFFAOYSA-N 2 1 371.482 -1.697 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000629801411 483392407 /nfs/dbraw/zinc/39/24/07/483392407.db2.gz LWUNFEXCHMVPJC-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000629801411 483392404 /nfs/dbraw/zinc/39/24/04/483392404.db2.gz LWUNFEXCHMVPJC-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000629801412 483392600 /nfs/dbraw/zinc/39/26/00/483392600.db2.gz LWUNFEXCHMVPJC-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000629801412 483392598 /nfs/dbraw/zinc/39/25/98/483392598.db2.gz LWUNFEXCHMVPJC-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000629801501 483392550 /nfs/dbraw/zinc/39/25/50/483392550.db2.gz GWQBQFSXKWMKTF-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000629801501 483392548 /nfs/dbraw/zinc/39/25/48/483392548.db2.gz GWQBQFSXKWMKTF-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000629801502 483392723 /nfs/dbraw/zinc/39/27/23/483392723.db2.gz GWQBQFSXKWMKTF-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000629801502 483392721 /nfs/dbraw/zinc/39/27/21/483392721.db2.gz GWQBQFSXKWMKTF-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000629801655 483392438 /nfs/dbraw/zinc/39/24/38/483392438.db2.gz NOWCBMTUAXAAHD-HNNXBMFYSA-N 2 1 356.467 -1.139 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000629801658 483392571 /nfs/dbraw/zinc/39/25/71/483392571.db2.gz NOWCBMTUAXAAHD-OAHLLOKOSA-N 2 1 356.467 -1.139 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000629802156 483392783 /nfs/dbraw/zinc/39/27/83/483392783.db2.gz RTMDYYMYGJYINP-AWEZNQCLSA-N 2 1 369.466 -1.815 20 0 FAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000629802158 483392609 /nfs/dbraw/zinc/39/26/09/483392609.db2.gz RTMDYYMYGJYINP-CQSZACIVSA-N 2 1 369.466 -1.815 20 0 FAADMP CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629810034 483394203 /nfs/dbraw/zinc/39/42/03/483394203.db2.gz OGAOGQGMXDWZSA-UHFFFAOYSA-N 2 1 363.422 -1.463 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914196 483395992 /nfs/dbraw/zinc/39/59/92/483395992.db2.gz XUDXZKQQLATBCM-HOTGVXAUSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914196 483395988 /nfs/dbraw/zinc/39/59/88/483395988.db2.gz XUDXZKQQLATBCM-HOTGVXAUSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914197 483396276 /nfs/dbraw/zinc/39/62/76/483396276.db2.gz XUDXZKQQLATBCM-JKSUJKDBSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914197 483396273 /nfs/dbraw/zinc/39/62/73/483396273.db2.gz XUDXZKQQLATBCM-JKSUJKDBSA-N 2 1 368.478 -1.118 20 0 FAADMP O=C(NCC[NH+]1CC[C@H](O)C1)C1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000629914287 483395930 /nfs/dbraw/zinc/39/59/30/483395930.db2.gz MXFBZSUBTPUZHM-GJZGRUSLSA-N 2 1 368.478 -1.478 20 0 FAADMP CC(CC(=O)NCC[NH+]1CC[C@H](O)C1)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915915 483397560 /nfs/dbraw/zinc/39/75/60/483397560.db2.gz DWMPPFRXNAGUSW-HOTGVXAUSA-N 2 1 370.494 -1.232 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@H](O)C1)[C@H](C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916353 483397481 /nfs/dbraw/zinc/39/74/81/483397481.db2.gz RBDCBDTUEPLZGX-FZKCQIBNSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@H](O)C1)[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916353 483397479 /nfs/dbraw/zinc/39/74/79/483397479.db2.gz RBDCBDTUEPLZGX-FZKCQIBNSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H](C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629916353 483397476 /nfs/dbraw/zinc/39/74/76/483397476.db2.gz RBDCBDTUEPLZGX-FZKCQIBNSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@H](C(=O)NCC[NH+]1CC[C@H](O)C1)[C@H](C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916354 483397462 /nfs/dbraw/zinc/39/74/62/483397462.db2.gz RBDCBDTUEPLZGX-VGWMRTNUSA-N 2 1 370.494 -1.376 20 0 FAADMP C[C@@H](C(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H](C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916355 483396851 /nfs/dbraw/zinc/39/68/51/483396851.db2.gz RBDCBDTUEPLZGX-WCVJEAGWSA-N 2 1 370.494 -1.376 20 0 FAADMP CC1[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917519 483396988 /nfs/dbraw/zinc/39/69/88/483396988.db2.gz DSOHTRMCWQYEDC-VGWMRTNUSA-N 2 1 368.478 -1.766 20 0 FAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383682 483573666 /nfs/dbraw/zinc/57/36/66/483573666.db2.gz OWEBNKXBDQJKPS-CHWSQXEVSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383682 483573662 /nfs/dbraw/zinc/57/36/62/483573662.db2.gz OWEBNKXBDQJKPS-CHWSQXEVSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383683 483573464 /nfs/dbraw/zinc/57/34/64/483573464.db2.gz OWEBNKXBDQJKPS-OLZOCXBDSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383683 483573458 /nfs/dbraw/zinc/57/34/58/483573458.db2.gz OWEBNKXBDQJKPS-OLZOCXBDSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383684 483573928 /nfs/dbraw/zinc/57/39/28/483573928.db2.gz OWEBNKXBDQJKPS-QWHCGFSZSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383684 483573924 /nfs/dbraw/zinc/57/39/24/483573924.db2.gz OWEBNKXBDQJKPS-QWHCGFSZSA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383685 483573854 /nfs/dbraw/zinc/57/38/54/483573854.db2.gz OWEBNKXBDQJKPS-STQMWFEESA-N 2 1 360.480 -1.063 20 0 FAADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000630383685 483573847 /nfs/dbraw/zinc/57/38/47/483573847.db2.gz OWEBNKXBDQJKPS-STQMWFEESA-N 2 1 360.480 -1.063 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916674 483726145 /nfs/dbraw/zinc/72/61/45/483726145.db2.gz BGTNMQCHFVDTKM-KBPBESRZSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916674 483726144 /nfs/dbraw/zinc/72/61/44/483726144.db2.gz BGTNMQCHFVDTKM-KBPBESRZSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916675 483725928 /nfs/dbraw/zinc/72/59/28/483725928.db2.gz BGTNMQCHFVDTKM-KGLIPLIRSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916675 483725925 /nfs/dbraw/zinc/72/59/25/483725925.db2.gz BGTNMQCHFVDTKM-KGLIPLIRSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916676 483725783 /nfs/dbraw/zinc/72/57/83/483725783.db2.gz BGTNMQCHFVDTKM-UONOGXRCSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916676 483725781 /nfs/dbraw/zinc/72/57/81/483725781.db2.gz BGTNMQCHFVDTKM-UONOGXRCSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916677 483726040 /nfs/dbraw/zinc/72/60/40/483726040.db2.gz BGTNMQCHFVDTKM-ZIAGYGMSSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916677 483726039 /nfs/dbraw/zinc/72/60/39/483726039.db2.gz BGTNMQCHFVDTKM-ZIAGYGMSSA-N 2 1 362.496 -1.163 20 0 FAADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631929629 483725890 /nfs/dbraw/zinc/72/58/90/483725890.db2.gz KNXONRKIAPWWMT-AWEZNQCLSA-N 2 1 359.496 -1.189 20 0 FAADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631929630 483726190 /nfs/dbraw/zinc/72/61/90/483726190.db2.gz KNXONRKIAPWWMT-CQSZACIVSA-N 2 1 359.496 -1.189 20 0 FAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633078668 483730129 /nfs/dbraw/zinc/73/01/29/483730129.db2.gz MCJRCRPUFJBFDI-GJZGRUSLSA-N 2 1 363.462 -1.428 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633096359 483730878 /nfs/dbraw/zinc/73/08/78/483730878.db2.gz FEWYVYYVGKQDKR-OKILXGFUSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000633102331 483731053 /nfs/dbraw/zinc/73/10/53/483731053.db2.gz SEAYCROVZCXRMU-KFWWJZLASA-N 2 1 365.478 -1.195 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000633102339 483731005 /nfs/dbraw/zinc/73/10/05/483731005.db2.gz SEAYCROVZCXRMU-RBSFLKMASA-N 2 1 365.478 -1.195 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633102380 483731111 /nfs/dbraw/zinc/73/11/11/483731111.db2.gz SJIDMFPAKXGYRZ-QLFBSQMISA-N 2 1 363.462 -1.286 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633102382 483730654 /nfs/dbraw/zinc/73/06/54/483730654.db2.gz SJIDMFPAKXGYRZ-ZNMIVQPWSA-N 2 1 363.462 -1.286 20 0 FAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000633146948 483731506 /nfs/dbraw/zinc/73/15/06/483731506.db2.gz PWECSDANHTUYPU-HZSPNIEDSA-N 2 1 351.451 -1.301 20 0 FAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000633146949 483731547 /nfs/dbraw/zinc/73/15/47/483731547.db2.gz PWECSDANHTUYPU-MCIONIFRSA-N 2 1 351.451 -1.301 20 0 FAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000633146950 483731276 /nfs/dbraw/zinc/73/12/76/483731276.db2.gz PWECSDANHTUYPU-MGPQQGTHSA-N 2 1 351.451 -1.301 20 0 FAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000633146951 483731423 /nfs/dbraw/zinc/73/14/23/483731423.db2.gz PWECSDANHTUYPU-RDBSUJKOSA-N 2 1 351.451 -1.301 20 0 FAADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000636317544 482729765 /nfs/dbraw/zinc/72/97/65/482729765.db2.gz IHXPVJXPFKPPTO-AWEZNQCLSA-N 2 1 353.467 -1.371 20 0 FAADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000636317545 482729845 /nfs/dbraw/zinc/72/98/45/482729845.db2.gz IHXPVJXPFKPPTO-CQSZACIVSA-N 2 1 353.467 -1.371 20 0 FAADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000636797896 482883888 /nfs/dbraw/zinc/88/38/88/482883888.db2.gz VSVLNMGXOMSNPU-CVEARBPZSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000636797896 482883883 /nfs/dbraw/zinc/88/38/83/482883883.db2.gz VSVLNMGXOMSNPU-CVEARBPZSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000636797896 482883876 /nfs/dbraw/zinc/88/38/76/482883876.db2.gz VSVLNMGXOMSNPU-CVEARBPZSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000636797897 482884040 /nfs/dbraw/zinc/88/40/40/482884040.db2.gz VSVLNMGXOMSNPU-HOTGVXAUSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000636797897 482884033 /nfs/dbraw/zinc/88/40/33/482884033.db2.gz VSVLNMGXOMSNPU-HOTGVXAUSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000636797897 482884026 /nfs/dbraw/zinc/88/40/26/482884026.db2.gz VSVLNMGXOMSNPU-HOTGVXAUSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000636797898 482883549 /nfs/dbraw/zinc/88/35/49/482883549.db2.gz VSVLNMGXOMSNPU-HZPDHXFCSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000636797898 482883543 /nfs/dbraw/zinc/88/35/43/482883543.db2.gz VSVLNMGXOMSNPU-HZPDHXFCSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000636797898 482883537 /nfs/dbraw/zinc/88/35/37/482883537.db2.gz VSVLNMGXOMSNPU-HZPDHXFCSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000636797899 482884105 /nfs/dbraw/zinc/88/41/05/482884105.db2.gz VSVLNMGXOMSNPU-JKSUJKDBSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000636797899 482884099 /nfs/dbraw/zinc/88/40/99/482884099.db2.gz VSVLNMGXOMSNPU-JKSUJKDBSA-N 2 1 355.483 -1.241 20 0 FAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000636797899 482884095 /nfs/dbraw/zinc/88/40/95/482884095.db2.gz VSVLNMGXOMSNPU-JKSUJKDBSA-N 2 1 355.483 -1.241 20 0 FAADMP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638276431 483067834 /nfs/dbraw/zinc/06/78/34/483067834.db2.gz FEUWOOORNVOAKT-DOTOQJQBSA-N 2 1 367.494 -1.201 20 0 FAADMP C[NH+](C)CCn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000638348779 483071689 /nfs/dbraw/zinc/07/16/89/483071689.db2.gz CINITCCHOWFNAD-UHFFFAOYSA-N 2 1 370.479 -1.496 20 0 FAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349393 483073910 /nfs/dbraw/zinc/07/39/10/483073910.db2.gz KVZQEIPLXLQBAY-UHFFFAOYSA-N 2 1 374.507 -1.209 20 0 FAADMP COC[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000638349499 483073670 /nfs/dbraw/zinc/07/36/70/483073670.db2.gz NXPYFKKVMOBRGR-HNNXBMFYSA-N 2 1 360.480 -1.409 20 0 FAADMP COC[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000638349500 483073057 /nfs/dbraw/zinc/07/30/57/483073057.db2.gz NXPYFKKVMOBRGR-OAHLLOKOSA-N 2 1 360.480 -1.409 20 0 FAADMP CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638480363 483079084 /nfs/dbraw/zinc/07/90/84/483079084.db2.gz MUAXOFSGXJUPDD-UHFFFAOYSA-N 2 1 368.482 -1.388 20 0 FAADMP CCN1C(=O)CO[C@H](C(=O)NC[C@H]2COCCN2)[C@H]1c1nccn1C ZINC000638610070 483084592 /nfs/dbraw/zinc/08/45/92/483084592.db2.gz AJLVEUIWLPCYFK-UBHSHLNASA-N 2 1 351.407 -1.187 20 0 FAADMP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2COCCN2)[C@H]1c1nccn1C ZINC000638610072 483084994 /nfs/dbraw/zinc/08/49/94/483084994.db2.gz AJLVEUIWLPCYFK-XBFCOCLRSA-N 2 1 351.407 -1.187 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638617515 483085327 /nfs/dbraw/zinc/08/53/27/483085327.db2.gz VMICHGRFMCMBOB-CABCVRRESA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1COCCN1 ZINC000638617515 483085321 /nfs/dbraw/zinc/08/53/21/483085321.db2.gz VMICHGRFMCMBOB-CABCVRRESA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000638617516 483087075 /nfs/dbraw/zinc/08/70/75/483087075.db2.gz VMICHGRFMCMBOB-GJZGRUSLSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638617517 483086464 /nfs/dbraw/zinc/08/64/64/483086464.db2.gz VMICHGRFMCMBOB-HUUCEWRRSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000638617518 483086281 /nfs/dbraw/zinc/08/62/81/483086281.db2.gz VMICHGRFMCMBOB-LSDHHAIUSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(C[NH+]1C[C@@H]2C[C@]2(O)C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474757 483383200 /nfs/dbraw/zinc/38/32/00/483383200.db2.gz BCJJXZMQZWCALO-USJZOSNVSA-N 2 1 364.446 -2.210 20 0 FAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000641825702 483451553 /nfs/dbraw/zinc/45/15/53/483451553.db2.gz WLHFNPZOZZENCU-CYBMUJFWSA-N 2 1 353.467 -1.148 20 0 FAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000641825702 483451548 /nfs/dbraw/zinc/45/15/48/483451548.db2.gz WLHFNPZOZZENCU-CYBMUJFWSA-N 2 1 353.467 -1.148 20 0 FAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000641825703 483451431 /nfs/dbraw/zinc/45/14/31/483451431.db2.gz WLHFNPZOZZENCU-ZDUSSCGKSA-N 2 1 353.467 -1.148 20 0 FAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000641825703 483451423 /nfs/dbraw/zinc/45/14/23/483451423.db2.gz WLHFNPZOZZENCU-ZDUSSCGKSA-N 2 1 353.467 -1.148 20 0 FAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000642190905 483479892 /nfs/dbraw/zinc/47/98/92/483479892.db2.gz DPZSKDLTTHHHGG-CABCVRRESA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000642190906 483480018 /nfs/dbraw/zinc/48/00/18/483480018.db2.gz DPZSKDLTTHHHGG-GJZGRUSLSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000642190907 483479855 /nfs/dbraw/zinc/47/98/55/483479855.db2.gz DPZSKDLTTHHHGG-HUUCEWRRSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000642190908 483479779 /nfs/dbraw/zinc/47/97/79/483479779.db2.gz DPZSKDLTTHHHGG-LSDHHAIUSA-N 2 1 355.483 -1.295 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642222755 483494763 /nfs/dbraw/zinc/49/47/63/483494763.db2.gz ZYCULKOGGSOWDN-CABCVRRESA-N 2 1 355.483 -1.439 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642222756 483495593 /nfs/dbraw/zinc/49/55/93/483495593.db2.gz ZYCULKOGGSOWDN-GJZGRUSLSA-N 2 1 355.483 -1.439 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642222758 483495822 /nfs/dbraw/zinc/49/58/22/483495822.db2.gz ZYCULKOGGSOWDN-HUUCEWRRSA-N 2 1 355.483 -1.439 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642222759 483494816 /nfs/dbraw/zinc/49/48/16/483494816.db2.gz ZYCULKOGGSOWDN-LSDHHAIUSA-N 2 1 355.483 -1.439 20 0 FAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000642722216 482552019 /nfs/dbraw/zinc/55/20/19/482552019.db2.gz PZKCQXNYFYHKES-CQSZACIVSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000642722492 482552511 /nfs/dbraw/zinc/55/25/11/482552511.db2.gz DQVAORYPZGQWHE-KKUMJFAQSA-N 2 1 365.478 -1.148 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000642722495 482551823 /nfs/dbraw/zinc/55/18/23/482551823.db2.gz DQVAORYPZGQWHE-RRFJBIMHSA-N 2 1 365.478 -1.148 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000642722496 482552156 /nfs/dbraw/zinc/55/21/56/482552156.db2.gz DQVAORYPZGQWHE-SOUVJXGZSA-N 2 1 365.478 -1.148 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000642722497 482551618 /nfs/dbraw/zinc/55/16/18/482551618.db2.gz DQVAORYPZGQWHE-ZNMIVQPWSA-N 2 1 365.478 -1.148 20 0 FAADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000642899398 482669262 /nfs/dbraw/zinc/66/92/62/482669262.db2.gz HIOWYVSPXZQMOI-UHFFFAOYSA-N 2 1 374.445 -1.413 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642904472 482671867 /nfs/dbraw/zinc/67/18/67/482671867.db2.gz XLBGQNQQFKOULZ-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642904473 482671915 /nfs/dbraw/zinc/67/19/15/482671915.db2.gz XLBGQNQQFKOULZ-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918078 482673735 /nfs/dbraw/zinc/67/37/35/482673735.db2.gz LYAFXWJTBPTWKM-AWEZNQCLSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918079 482673230 /nfs/dbraw/zinc/67/32/30/482673230.db2.gz LYAFXWJTBPTWKM-CQSZACIVSA-N 2 1 351.451 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978011 482756165 /nfs/dbraw/zinc/75/61/65/482756165.db2.gz VESVJNQOHINAGG-CYBMUJFWSA-N 2 1 351.451 -1.251 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978012 482755656 /nfs/dbraw/zinc/75/56/56/482755656.db2.gz VESVJNQOHINAGG-ZDUSSCGKSA-N 2 1 351.451 -1.251 20 0 FAADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000643513368 483352994 /nfs/dbraw/zinc/35/29/94/483352994.db2.gz GDVKEOPEMUKEQA-CABCVRRESA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643513368 483352990 /nfs/dbraw/zinc/35/29/90/483352990.db2.gz GDVKEOPEMUKEQA-CABCVRRESA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000643513369 483353248 /nfs/dbraw/zinc/35/32/48/483353248.db2.gz GDVKEOPEMUKEQA-GJZGRUSLSA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000643513369 483353245 /nfs/dbraw/zinc/35/32/45/483353245.db2.gz GDVKEOPEMUKEQA-GJZGRUSLSA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000643513370 483353647 /nfs/dbraw/zinc/35/36/47/483353647.db2.gz GDVKEOPEMUKEQA-HUUCEWRRSA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643513370 483353643 /nfs/dbraw/zinc/35/36/43/483353643.db2.gz GDVKEOPEMUKEQA-HUUCEWRRSA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000643513371 483353685 /nfs/dbraw/zinc/35/36/85/483353685.db2.gz GDVKEOPEMUKEQA-LSDHHAIUSA-N 2 1 363.462 -1.284 20 0 FAADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000643513371 483353682 /nfs/dbraw/zinc/35/36/82/483353682.db2.gz GDVKEOPEMUKEQA-LSDHHAIUSA-N 2 1 363.462 -1.284 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000643540400 483361283 /nfs/dbraw/zinc/36/12/83/483361283.db2.gz DCUMWJZDXCVPBF-HZSPNIEDSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000643540400 483361281 /nfs/dbraw/zinc/36/12/81/483361281.db2.gz DCUMWJZDXCVPBF-HZSPNIEDSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000643540401 483361172 /nfs/dbraw/zinc/36/11/72/483361172.db2.gz DCUMWJZDXCVPBF-IHRRRGAJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000643540401 483361170 /nfs/dbraw/zinc/36/11/70/483361170.db2.gz DCUMWJZDXCVPBF-IHRRRGAJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000643540402 483360894 /nfs/dbraw/zinc/36/08/94/483360894.db2.gz DCUMWJZDXCVPBF-MELADBBJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000643540402 483360889 /nfs/dbraw/zinc/36/08/89/483360889.db2.gz DCUMWJZDXCVPBF-MELADBBJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000643540403 483361000 /nfs/dbraw/zinc/36/10/00/483361000.db2.gz DCUMWJZDXCVPBF-RDBSUJKOSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000643540403 483360997 /nfs/dbraw/zinc/36/09/97/483360997.db2.gz DCUMWJZDXCVPBF-RDBSUJKOSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000643546793 482530741 /nfs/dbraw/zinc/53/07/41/482530741.db2.gz VCNMAWOMGJVBBW-HZSPNIEDSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000643546793 482530736 /nfs/dbraw/zinc/53/07/36/482530736.db2.gz VCNMAWOMGJVBBW-HZSPNIEDSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000643546794 482530230 /nfs/dbraw/zinc/53/02/30/482530230.db2.gz VCNMAWOMGJVBBW-IHRRRGAJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000643546794 482530223 /nfs/dbraw/zinc/53/02/23/482530223.db2.gz VCNMAWOMGJVBBW-IHRRRGAJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000643546795 482530963 /nfs/dbraw/zinc/53/09/63/482530963.db2.gz VCNMAWOMGJVBBW-MELADBBJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000643546795 482530958 /nfs/dbraw/zinc/53/09/58/482530958.db2.gz VCNMAWOMGJVBBW-MELADBBJSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000643546796 482531185 /nfs/dbraw/zinc/53/11/85/482531185.db2.gz VCNMAWOMGJVBBW-RDBSUJKOSA-N 2 1 356.467 -1.135 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000643546796 482531180 /nfs/dbraw/zinc/53/11/80/482531180.db2.gz VCNMAWOMGJVBBW-RDBSUJKOSA-N 2 1 356.467 -1.135 20 0 FAADMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643569950 482535073 /nfs/dbraw/zinc/53/50/73/482535073.db2.gz VKVIQBRNQAYAGL-GFCCVEGCSA-N 2 1 373.479 -2.405 20 0 FAADMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643569951 482535651 /nfs/dbraw/zinc/53/56/51/482535651.db2.gz VKVIQBRNQAYAGL-LBPRGKRZSA-N 2 1 373.479 -2.405 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000643576875 482535234 /nfs/dbraw/zinc/53/52/34/482535234.db2.gz GWZNBYUKYDEGFD-CABCVRRESA-N 2 1 353.467 -1.732 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000643576876 482535790 /nfs/dbraw/zinc/53/57/90/482535790.db2.gz GWZNBYUKYDEGFD-GJZGRUSLSA-N 2 1 353.467 -1.732 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000643576877 482535774 /nfs/dbraw/zinc/53/57/74/482535774.db2.gz GWZNBYUKYDEGFD-HUUCEWRRSA-N 2 1 353.467 -1.732 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000643576878 482535976 /nfs/dbraw/zinc/53/59/76/482535976.db2.gz GWZNBYUKYDEGFD-LSDHHAIUSA-N 2 1 353.467 -1.732 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@@H](C[NH3+])C1 ZINC000643576967 482535176 /nfs/dbraw/zinc/53/51/76/482535176.db2.gz UHAPLYBTWMBALI-CVEARBPZSA-N 2 1 366.510 -1.674 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H](C[NH3+])C1 ZINC000643576968 482536080 /nfs/dbraw/zinc/53/60/80/482536080.db2.gz UHAPLYBTWMBALI-HOTGVXAUSA-N 2 1 366.510 -1.674 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000643576969 482536019 /nfs/dbraw/zinc/53/60/19/482536019.db2.gz UHAPLYBTWMBALI-HZPDHXFCSA-N 2 1 366.510 -1.674 20 0 FAADMP CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000643576970 482535262 /nfs/dbraw/zinc/53/52/62/482535262.db2.gz UHAPLYBTWMBALI-JKSUJKDBSA-N 2 1 366.510 -1.674 20 0 FAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000643577467 482535116 /nfs/dbraw/zinc/53/51/16/482535116.db2.gz JOPJXRYRMDORJJ-CABCVRRESA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCO1 ZINC000643577467 482535112 /nfs/dbraw/zinc/53/51/12/482535112.db2.gz JOPJXRYRMDORJJ-CABCVRRESA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000643577471 482535686 /nfs/dbraw/zinc/53/56/86/482535686.db2.gz JOPJXRYRMDORJJ-GJZGRUSLSA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCO1 ZINC000643577471 482535681 /nfs/dbraw/zinc/53/56/81/482535681.db2.gz JOPJXRYRMDORJJ-GJZGRUSLSA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000643577473 482535005 /nfs/dbraw/zinc/53/50/05/482535005.db2.gz JOPJXRYRMDORJJ-HUUCEWRRSA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCO1 ZINC000643577473 482535000 /nfs/dbraw/zinc/53/50/00/482535000.db2.gz JOPJXRYRMDORJJ-HUUCEWRRSA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000643577474 482535089 /nfs/dbraw/zinc/53/50/89/482535089.db2.gz JOPJXRYRMDORJJ-LSDHHAIUSA-N 2 1 357.499 -1.097 20 0 FAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCO1 ZINC000643577474 482535084 /nfs/dbraw/zinc/53/50/84/482535084.db2.gz JOPJXRYRMDORJJ-LSDHHAIUSA-N 2 1 357.499 -1.097 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580955 482535623 /nfs/dbraw/zinc/53/56/23/482535623.db2.gz CCLSAZMONNMWJK-AWEZNQCLSA-N 2 1 351.451 -1.427 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580956 482535370 /nfs/dbraw/zinc/53/53/70/482535370.db2.gz CCLSAZMONNMWJK-CQSZACIVSA-N 2 1 351.451 -1.427 20 0 FAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000643594514 482537111 /nfs/dbraw/zinc/53/71/11/482537111.db2.gz LDUUWVMKCMNNRF-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000643594514 482537107 /nfs/dbraw/zinc/53/71/07/482537107.db2.gz LDUUWVMKCMNNRF-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000643594515 482537769 /nfs/dbraw/zinc/53/77/69/482537769.db2.gz LDUUWVMKCMNNRF-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000643594515 482537763 /nfs/dbraw/zinc/53/77/63/482537763.db2.gz LDUUWVMKCMNNRF-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000643594516 482537044 /nfs/dbraw/zinc/53/70/44/482537044.db2.gz LDUUWVMKCMNNRF-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000643594516 482537037 /nfs/dbraw/zinc/53/70/37/482537037.db2.gz LDUUWVMKCMNNRF-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000643594517 482536856 /nfs/dbraw/zinc/53/68/56/482536856.db2.gz LDUUWVMKCMNNRF-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000643594517 482536853 /nfs/dbraw/zinc/53/68/53/482536853.db2.gz LDUUWVMKCMNNRF-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000644894338 482920731 /nfs/dbraw/zinc/92/07/31/482920731.db2.gz SPBSXJCHLYLJAA-HNNXBMFYSA-N 2 1 355.483 -1.471 20 0 FAADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000644894338 482920727 /nfs/dbraw/zinc/92/07/27/482920727.db2.gz SPBSXJCHLYLJAA-HNNXBMFYSA-N 2 1 355.483 -1.471 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000644894340 482919618 /nfs/dbraw/zinc/91/96/18/482919618.db2.gz SPBSXJCHLYLJAA-OAHLLOKOSA-N 2 1 355.483 -1.471 20 0 FAADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000644894340 482919611 /nfs/dbraw/zinc/91/96/11/482919611.db2.gz SPBSXJCHLYLJAA-OAHLLOKOSA-N 2 1 355.483 -1.471 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000645135459 482954888 /nfs/dbraw/zinc/95/48/88/482954888.db2.gz HBXUIVXTLAVRGV-CYBMUJFWSA-N 2 1 368.482 -1.042 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000645135460 482954967 /nfs/dbraw/zinc/95/49/67/482954967.db2.gz HBXUIVXTLAVRGV-ZDUSSCGKSA-N 2 1 368.482 -1.042 20 0 FAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009610 483415173 /nfs/dbraw/zinc/41/51/73/483415173.db2.gz WZHFGUNRDMATAF-CVEARBPZSA-N 2 1 367.494 -1.233 20 0 FAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009611 483415114 /nfs/dbraw/zinc/41/51/14/483415114.db2.gz WZHFGUNRDMATAF-HOTGVXAUSA-N 2 1 367.494 -1.233 20 0 FAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009612 483414617 /nfs/dbraw/zinc/41/46/17/483414617.db2.gz WZHFGUNRDMATAF-HZPDHXFCSA-N 2 1 367.494 -1.233 20 0 FAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009613 483415322 /nfs/dbraw/zinc/41/53/22/483415322.db2.gz WZHFGUNRDMATAF-JKSUJKDBSA-N 2 1 367.494 -1.233 20 0 FAADMP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647710139 482820577 /nfs/dbraw/zinc/82/05/77/482820577.db2.gz OUBRBBOZXZKXPX-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647710140 482820911 /nfs/dbraw/zinc/82/09/11/482820911.db2.gz OUBRBBOZXZKXPX-GJZGRUSLSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647710141 482819822 /nfs/dbraw/zinc/81/98/22/482819822.db2.gz OUBRBBOZXZKXPX-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647710142 482820479 /nfs/dbraw/zinc/82/04/79/482820479.db2.gz OUBRBBOZXZKXPX-LSDHHAIUSA-N 2 1 356.467 -1.262 20 0 FAADMP C[C@@H]1C[N@@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000647916647 483008899 /nfs/dbraw/zinc/00/88/99/483008899.db2.gz PQJPLGVYGGAADM-GDBMZVCRSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@@H]1C[N@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000647916647 483008891 /nfs/dbraw/zinc/00/88/91/483008891.db2.gz PQJPLGVYGGAADM-GDBMZVCRSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@H]1C[N@@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000647916648 483009483 /nfs/dbraw/zinc/00/94/83/483009483.db2.gz PQJPLGVYGGAADM-GOEBONIOSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@H]1C[N@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000647916648 483009479 /nfs/dbraw/zinc/00/94/79/483009479.db2.gz PQJPLGVYGGAADM-GOEBONIOSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@H]1C[N@@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000647916649 483008962 /nfs/dbraw/zinc/00/89/62/483008962.db2.gz PQJPLGVYGGAADM-HOCLYGCPSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@H]1C[N@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000647916649 483008953 /nfs/dbraw/zinc/00/89/53/483008953.db2.gz PQJPLGVYGGAADM-HOCLYGCPSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@@H]1C[N@@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000647916650 483009406 /nfs/dbraw/zinc/00/94/06/483009406.db2.gz PQJPLGVYGGAADM-ZBFHGGJFSA-N 2 1 365.478 -1.031 20 0 FAADMP C[C@@H]1C[N@H+](CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000647916650 483009405 /nfs/dbraw/zinc/00/94/05/483009405.db2.gz PQJPLGVYGGAADM-ZBFHGGJFSA-N 2 1 365.478 -1.031 20 0 FAADMP O=C(CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000647988744 483124469 /nfs/dbraw/zinc/12/44/69/483124469.db2.gz GYPDZECMJCWSJP-HNNXBMFYSA-N 2 1 374.507 -1.065 20 0 FAADMP O=C(CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000647988745 483123138 /nfs/dbraw/zinc/12/31/38/483123138.db2.gz GYPDZECMJCWSJP-OAHLLOKOSA-N 2 1 374.507 -1.065 20 0 FAADMP CN(C(=O)COCC[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152476 482590978 /nfs/dbraw/zinc/59/09/78/482590978.db2.gz NLFHPUCJTOGBIV-UHFFFAOYSA-N 2 1 355.483 -1.342 20 0 FAADMP [NH3+]C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000648178289 482691368 /nfs/dbraw/zinc/69/13/68/482691368.db2.gz MSIDFTXAAPYCOZ-UHFFFAOYSA-N 2 1 364.471 -1.072 20 0 FAADMP [NH3+][C@@H]1CCCCN(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000648178304 482691348 /nfs/dbraw/zinc/69/13/48/482691348.db2.gz OQPIWJLZBOYKTM-CYBMUJFWSA-N 2 1 373.479 -2.228 20 0 FAADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000648178305 482691700 /nfs/dbraw/zinc/69/17/00/482691700.db2.gz OQPIWJLZBOYKTM-ZDUSSCGKSA-N 2 1 373.479 -2.228 20 0 FAADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178376 482691171 /nfs/dbraw/zinc/69/11/71/482691171.db2.gz WVJOXZNVGHRCKI-LLVKDONJSA-N 2 1 352.407 -1.323 20 0 FAADMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178377 482690907 /nfs/dbraw/zinc/69/09/07/482690907.db2.gz WVJOXZNVGHRCKI-NSHDSACASA-N 2 1 352.407 -1.323 20 0 FAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335447 483601308 /nfs/dbraw/zinc/60/13/08/483601308.db2.gz AUCUEPBLKCUQSA-HOCLYGCPSA-N 2 1 355.483 -1.391 20 0 FAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335448 483601832 /nfs/dbraw/zinc/60/18/32/483601832.db2.gz AUCUEPBLKCUQSA-ZBFHGGJFSA-N 2 1 355.483 -1.391 20 0 FAADMP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000649335732 483601903 /nfs/dbraw/zinc/60/19/03/483601903.db2.gz VQBWWOPMQOYTTR-CVEARBPZSA-N 2 1 367.494 -1.151 20 0 FAADMP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000649335733 483602594 /nfs/dbraw/zinc/60/25/94/483602594.db2.gz VQBWWOPMQOYTTR-HOTGVXAUSA-N 2 1 367.494 -1.151 20 0 FAADMP [NH3+][C@@H]1CCCCN(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000649335734 483602651 /nfs/dbraw/zinc/60/26/51/483602651.db2.gz VQBWWOPMQOYTTR-HZPDHXFCSA-N 2 1 367.494 -1.151 20 0 FAADMP [NH3+][C@@H]1CCCCN(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000649335735 483601535 /nfs/dbraw/zinc/60/15/35/483601535.db2.gz VQBWWOPMQOYTTR-JKSUJKDBSA-N 2 1 367.494 -1.151 20 0 FAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CCN1CC[NH2+]CC1)c(=O)n2C ZINC000649409630 483608207 /nfs/dbraw/zinc/60/82/07/483608207.db2.gz GFCDDKTYEPWZAJ-UHFFFAOYSA-N 2 1 363.466 -1.339 20 0 FAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000649409680 483608494 /nfs/dbraw/zinc/60/84/94/483608494.db2.gz MJHHSJWIVMGMTG-UHFFFAOYSA-N 2 1 354.499 -1.944 20 0 FAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000649409680 483608490 /nfs/dbraw/zinc/60/84/90/483608490.db2.gz MJHHSJWIVMGMTG-UHFFFAOYSA-N 2 1 354.499 -1.944 20 0 FAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650879284 482707219 /nfs/dbraw/zinc/70/72/19/482707219.db2.gz MTLRVMUFWVOUOL-DOTOQJQBSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650879284 482707215 /nfs/dbraw/zinc/70/72/15/482707215.db2.gz MTLRVMUFWVOUOL-DOTOQJQBSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650879284 482707208 /nfs/dbraw/zinc/70/72/08/482707208.db2.gz MTLRVMUFWVOUOL-DOTOQJQBSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650879284 482707201 /nfs/dbraw/zinc/70/72/01/482707201.db2.gz MTLRVMUFWVOUOL-DOTOQJQBSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650879285 482707161 /nfs/dbraw/zinc/70/71/61/482707161.db2.gz MTLRVMUFWVOUOL-NVXWUHKLSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650879285 482707154 /nfs/dbraw/zinc/70/71/54/482707154.db2.gz MTLRVMUFWVOUOL-NVXWUHKLSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650879285 482707147 /nfs/dbraw/zinc/70/71/47/482707147.db2.gz MTLRVMUFWVOUOL-NVXWUHKLSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650879285 482707142 /nfs/dbraw/zinc/70/71/42/482707142.db2.gz MTLRVMUFWVOUOL-NVXWUHKLSA-N 2 1 367.494 -1.147 20 0 FAADMP O[C@@H]1CC[NH+](C2CN(c3nccnc3N3CC([N@H+]4CC[C@@H](O)C4)C3)C2)C1 ZINC000651450464 482781923 /nfs/dbraw/zinc/78/19/23/482781923.db2.gz AAZJCFNHZRQVFB-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1CC[NH+](C2CN(c3nccnc3N3CC([N@@H+]4CC[C@@H](O)C4)C3)C2)C1 ZINC000651450464 482781915 /nfs/dbraw/zinc/78/19/15/482781915.db2.gz AAZJCFNHZRQVFB-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1CCN(C2CN(c3nccnc3N3CC([N@H+]4CC[C@@H](O)C4)C3)C2)C1 ZINC000651450464 482781906 /nfs/dbraw/zinc/78/19/06/482781906.db2.gz AAZJCFNHZRQVFB-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1CCN(C2CN(c3nccnc3N3CC([N@@H+]4CC[C@@H](O)C4)C3)C2)C1 ZINC000651450464 482781896 /nfs/dbraw/zinc/78/18/96/482781896.db2.gz AAZJCFNHZRQVFB-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1CC[NH+](C2CN(c3cc(N4CC([N@H+]5CC[C@@H](O)C5)C4)ncn3)C2)C1 ZINC000651450829 482781269 /nfs/dbraw/zinc/78/12/69/482781269.db2.gz HDLTYFBNDRDCTB-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1CC[NH+](C2CN(c3cncc(N4CC([N@H+]5CC[C@@H](O)C5)C4)n3)C2)C1 ZINC000651451336 482781571 /nfs/dbraw/zinc/78/15/71/482781571.db2.gz MKFMQQPJUASWFM-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP CCO[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000652356888 482855463 /nfs/dbraw/zinc/85/54/63/482855463.db2.gz NNNTUPWOOLPBST-VXGBXAGGSA-N 2 1 350.423 -1.271 20 0 FAADMP CCO[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000652356888 482855460 /nfs/dbraw/zinc/85/54/60/482855460.db2.gz NNNTUPWOOLPBST-VXGBXAGGSA-N 2 1 350.423 -1.271 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000652409596 482857194 /nfs/dbraw/zinc/85/71/94/482857194.db2.gz SQWIOYPOIOFTRC-UHFFFAOYSA-N 2 1 365.478 -1.227 20 0 FAADMP CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000652433991 482858147 /nfs/dbraw/zinc/85/81/47/482858147.db2.gz MPKGIJPRWNDSCY-HNNXBMFYSA-N 2 1 365.478 -1.086 20 0 FAADMP CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000652433992 482858296 /nfs/dbraw/zinc/85/82/96/482858296.db2.gz MPKGIJPRWNDSCY-OAHLLOKOSA-N 2 1 365.478 -1.086 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1=O ZINC000652447135 482858050 /nfs/dbraw/zinc/85/80/50/482858050.db2.gz QXUSIWNBYDYHFD-UHFFFAOYSA-N 2 1 365.478 -1.085 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000652459425 482859969 /nfs/dbraw/zinc/85/99/69/482859969.db2.gz QGJCYEKCAOQQMX-CABCVRRESA-N 2 1 365.478 -1.086 20 0 FAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652473405 482861622 /nfs/dbraw/zinc/86/16/22/482861622.db2.gz GBTMGOHNQMILJK-UHFFFAOYSA-N 2 1 353.467 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000652480460 482862555 /nfs/dbraw/zinc/86/25/55/482862555.db2.gz GCXFTVFRHKHTCK-CABCVRRESA-N 2 1 365.478 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000652480461 482862118 /nfs/dbraw/zinc/86/21/18/482862118.db2.gz GCXFTVFRHKHTCK-GJZGRUSLSA-N 2 1 365.478 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000652480462 482862270 /nfs/dbraw/zinc/86/22/70/482862270.db2.gz GCXFTVFRHKHTCK-HUUCEWRRSA-N 2 1 365.478 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000652480463 482861988 /nfs/dbraw/zinc/86/19/88/482861988.db2.gz GCXFTVFRHKHTCK-LSDHHAIUSA-N 2 1 365.478 -1.229 20 0 FAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652490872 482863398 /nfs/dbraw/zinc/86/33/98/482863398.db2.gz DTMCIQQGTXPIQC-AWEZNQCLSA-N 2 1 353.467 -1.229 20 0 FAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652490873 482863669 /nfs/dbraw/zinc/86/36/69/482863669.db2.gz DTMCIQQGTXPIQC-CQSZACIVSA-N 2 1 353.467 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000652505382 482865570 /nfs/dbraw/zinc/86/55/70/482865570.db2.gz JVQXZBXUAVOVQM-UONOGXRCSA-N 2 1 351.451 -1.619 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)[N@@H+]1C ZINC000652505414 482865404 /nfs/dbraw/zinc/86/54/04/482865404.db2.gz OQHJWTPEYREPNZ-OKILXGFUSA-N 2 1 353.467 -1.230 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)[N@H+]1C ZINC000652505414 482865402 /nfs/dbraw/zinc/86/54/02/482865402.db2.gz OQHJWTPEYREPNZ-OKILXGFUSA-N 2 1 353.467 -1.230 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000652505430 482865737 /nfs/dbraw/zinc/86/57/37/482865737.db2.gz QEMUKDKSJYKESL-GOSISDBHSA-N 2 1 365.478 -1.227 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000652505431 482865328 /nfs/dbraw/zinc/86/53/28/482865328.db2.gz QEMUKDKSJYKESL-SFHVURJKSA-N 2 1 365.478 -1.227 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000652505447 482865251 /nfs/dbraw/zinc/86/52/51/482865251.db2.gz SJQPCLHVDALGAG-LSDHHAIUSA-N 2 1 365.478 -1.229 20 0 FAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652505469 482865167 /nfs/dbraw/zinc/86/51/67/482865167.db2.gz WLYURUGFDXIKIV-UHFFFAOYSA-N 2 1 353.467 -1.229 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C[C@H]1C[NH3+] ZINC000652636400 482876400 /nfs/dbraw/zinc/87/64/00/482876400.db2.gz HVBHYSGJPSOJCQ-CHWSQXEVSA-N 2 1 352.439 -1.373 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C[NH3+] ZINC000652667763 482895221 /nfs/dbraw/zinc/89/52/21/482895221.db2.gz BTXCPCGHEXRPSI-DGCLKSJQSA-N 2 1 352.439 -1.076 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000652679090 482905688 /nfs/dbraw/zinc/90/56/88/482905688.db2.gz WNJHRSGOZQWCEC-GDBMZVCRSA-N 2 1 369.510 -1.049 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652679156 482905511 /nfs/dbraw/zinc/90/55/11/482905511.db2.gz YXDAMSHEFQTFGL-HUUCEWRRSA-N 2 1 369.510 -1.049 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652680903 482905918 /nfs/dbraw/zinc/90/59/18/482905918.db2.gz UPJHXKCMCWJRSJ-RBSFLKMASA-N 2 1 356.467 -1.107 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652680904 482905235 /nfs/dbraw/zinc/90/52/35/482905235.db2.gz UPJHXKCMCWJRSJ-RRFJBIMHSA-N 2 1 356.467 -1.107 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652681896 482907373 /nfs/dbraw/zinc/90/73/73/482907373.db2.gz XCBFOSVKCGMDRI-UHFFFAOYSA-N 2 1 353.467 -1.227 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652681918 482907203 /nfs/dbraw/zinc/90/72/03/482907203.db2.gz XSLYTVYESMPDIT-ZIAGYGMSSA-N 2 1 369.466 -1.911 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652683785 482907024 /nfs/dbraw/zinc/90/70/24/482907024.db2.gz XUSVOKCOIHEUSP-HZPDHXFCSA-N 2 1 369.510 -1.048 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652694462 482832028 /nfs/dbraw/zinc/83/20/28/482832028.db2.gz XYPDITQVHWDVML-ARFHVFGLSA-N 2 1 369.510 -1.192 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652694463 482831761 /nfs/dbraw/zinc/83/17/61/482831761.db2.gz XYPDITQVHWDVML-BZUAXINKSA-N 2 1 369.510 -1.192 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712314 482962859 /nfs/dbraw/zinc/96/28/59/482962859.db2.gz OJEBQRYPISGNKJ-UHFFFAOYSA-N 2 1 353.467 -1.146 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712631 482963972 /nfs/dbraw/zinc/96/39/72/482963972.db2.gz XEJXMZRFPWMKAH-AWEZNQCLSA-N 2 1 365.478 -1.003 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712632 482963233 /nfs/dbraw/zinc/96/32/33/482963233.db2.gz XEJXMZRFPWMKAH-CQSZACIVSA-N 2 1 365.478 -1.003 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C[NH3+] ZINC000652728363 483010163 /nfs/dbraw/zinc/01/01/63/483010163.db2.gz HJVSXBUBYXPDLN-ZIAGYGMSSA-N 2 1 356.467 -1.276 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652728775 483013065 /nfs/dbraw/zinc/01/30/65/483013065.db2.gz AATOYAQBVBXBKK-HZPDHXFCSA-N 2 1 369.510 -1.096 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000652730865 483045311 /nfs/dbraw/zinc/04/53/11/483045311.db2.gz SKBRFMWIORXPLZ-ARFHVFGLSA-N 2 1 368.478 -1.011 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000652730866 483044564 /nfs/dbraw/zinc/04/45/64/483044564.db2.gz SKBRFMWIORXPLZ-BZUAXINKSA-N 2 1 368.478 -1.011 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652736317 483076595 /nfs/dbraw/zinc/07/65/95/483076595.db2.gz DAQPUNNNWRAOPG-LXTVHRRPSA-N 2 1 356.467 -1.278 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652736317 483076590 /nfs/dbraw/zinc/07/65/90/483076590.db2.gz DAQPUNNNWRAOPG-LXTVHRRPSA-N 2 1 356.467 -1.278 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652736517 483076647 /nfs/dbraw/zinc/07/66/47/483076647.db2.gz HPYLDHLLSFUOQU-ZIAGYGMSSA-N 2 1 356.467 -1.276 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652736517 483076641 /nfs/dbraw/zinc/07/66/41/483076641.db2.gz HPYLDHLLSFUOQU-ZIAGYGMSSA-N 2 1 356.467 -1.276 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000653350267 482994957 /nfs/dbraw/zinc/99/49/57/482994957.db2.gz PEPXKXPZROQVNA-UHFFFAOYSA-N 2 1 369.466 -1.943 20 0 FAADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653369323 483082734 /nfs/dbraw/zinc/08/27/34/483082734.db2.gz PXKUECIHVYBNEI-UHFFFAOYSA-N 2 1 364.450 -1.070 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000653373080 483082948 /nfs/dbraw/zinc/08/29/48/483082948.db2.gz CKCPPKFIGNLTIJ-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000653373081 483083237 /nfs/dbraw/zinc/08/32/37/483083237.db2.gz CKCPPKFIGNLTIJ-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373082 483082543 /nfs/dbraw/zinc/08/25/43/483082543.db2.gz CKCPPKFIGNLTIJ-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373083 483083375 /nfs/dbraw/zinc/08/33/75/483083375.db2.gz CKCPPKFIGNLTIJ-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653374893 483085428 /nfs/dbraw/zinc/08/54/28/483085428.db2.gz RSUCARQJRVGPRK-AWEZNQCLSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653374894 483084218 /nfs/dbraw/zinc/08/42/18/483084218.db2.gz RSUCARQJRVGPRK-CQSZACIVSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653383426 483086834 /nfs/dbraw/zinc/08/68/34/483086834.db2.gz OMTOEHLZAXEHHS-CYBMUJFWSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653383427 483086559 /nfs/dbraw/zinc/08/65/59/483086559.db2.gz OMTOEHLZAXEHHS-ZDUSSCGKSA-N 2 1 351.451 -1.428 20 0 FAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653386250 483091528 /nfs/dbraw/zinc/09/15/28/483091528.db2.gz UIJKORUUTCRYSY-UHFFFAOYSA-N 2 1 350.423 -1.460 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653386574 483091690 /nfs/dbraw/zinc/09/16/90/483091690.db2.gz DDDVSWCPORYHSK-UHFFFAOYSA-N 2 1 357.455 -2.087 20 0 FAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000653389092 483093065 /nfs/dbraw/zinc/09/30/65/483093065.db2.gz UILKWIFXUNWSTQ-UHFFFAOYSA-N 2 1 353.467 -1.181 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+](C)C1CC1 ZINC000653389577 483092899 /nfs/dbraw/zinc/09/28/99/483092899.db2.gz FMKNLFKKSODKFS-CYBMUJFWSA-N 2 1 353.467 -1.182 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+](C)C1CC1 ZINC000653389578 483092410 /nfs/dbraw/zinc/09/24/10/483092410.db2.gz FMKNLFKKSODKFS-ZDUSSCGKSA-N 2 1 353.467 -1.182 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000653392313 483094269 /nfs/dbraw/zinc/09/42/69/483094269.db2.gz YVVSHZOBADOLSK-HNNXBMFYSA-N 2 1 365.478 -1.181 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000653392314 483094328 /nfs/dbraw/zinc/09/43/28/483094328.db2.gz YVVSHZOBADOLSK-OAHLLOKOSA-N 2 1 365.478 -1.181 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653392779 483093936 /nfs/dbraw/zinc/09/39/36/483093936.db2.gz LJCYKQVAIUMLKL-AWEZNQCLSA-N 2 1 369.466 -1.944 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653392780 483094243 /nfs/dbraw/zinc/09/42/43/483094243.db2.gz LJCYKQVAIUMLKL-CQSZACIVSA-N 2 1 369.466 -1.944 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653396662 483097510 /nfs/dbraw/zinc/09/75/10/483097510.db2.gz DJZIUKSOLGZCJH-AWEZNQCLSA-N 2 1 368.482 -2.419 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653396663 483098021 /nfs/dbraw/zinc/09/80/21/483098021.db2.gz DJZIUKSOLGZCJH-CQSZACIVSA-N 2 1 368.482 -2.419 20 0 FAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C)C(=O)C3)C2)CC1 ZINC000653398965 483099554 /nfs/dbraw/zinc/09/95/54/483099554.db2.gz VIGVRNOYYJAMCC-CYBMUJFWSA-N 2 1 351.451 -1.428 20 0 FAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C)C(=O)C3)C2)CC1 ZINC000653398966 483098763 /nfs/dbraw/zinc/09/87/63/483098763.db2.gz VIGVRNOYYJAMCC-ZDUSSCGKSA-N 2 1 351.451 -1.428 20 0 FAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[N@H+]1C1CC1 ZINC000653425903 483137460 /nfs/dbraw/zinc/13/74/60/483137460.db2.gz GJOVZLMVGRPGQM-KBPBESRZSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[N@H+]1C1CC1 ZINC000653425904 483140558 /nfs/dbraw/zinc/14/05/58/483140558.db2.gz GJOVZLMVGRPGQM-KGLIPLIRSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[N@H+]1C1CC1 ZINC000653425905 483139323 /nfs/dbraw/zinc/13/93/23/483139323.db2.gz GJOVZLMVGRPGQM-UONOGXRCSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[N@H+]1C1CC1 ZINC000653425906 483140717 /nfs/dbraw/zinc/14/07/17/483140717.db2.gz GJOVZLMVGRPGQM-ZIAGYGMSSA-N 2 1 365.478 -1.040 20 0 FAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653426287 483140334 /nfs/dbraw/zinc/14/03/34/483140334.db2.gz NQXSDOIRUGRNIF-DZGCQCFKSA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653426288 483140817 /nfs/dbraw/zinc/14/08/17/483140817.db2.gz NQXSDOIRUGRNIF-HIFRSBDPSA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653426289 483139537 /nfs/dbraw/zinc/13/95/37/483139537.db2.gz NQXSDOIRUGRNIF-UKRRQHHQSA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653426290 483140436 /nfs/dbraw/zinc/14/04/36/483140436.db2.gz NQXSDOIRUGRNIF-ZFWWWQNUSA-N 2 1 365.478 -1.182 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000653427512 483145608 /nfs/dbraw/zinc/14/56/08/483145608.db2.gz MXZCSCFHACOWQF-KBPBESRZSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000653427512 483145601 /nfs/dbraw/zinc/14/56/01/483145601.db2.gz MXZCSCFHACOWQF-KBPBESRZSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000653427513 483145179 /nfs/dbraw/zinc/14/51/79/483145179.db2.gz MXZCSCFHACOWQF-KGLIPLIRSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000653427513 483145176 /nfs/dbraw/zinc/14/51/76/483145176.db2.gz MXZCSCFHACOWQF-KGLIPLIRSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000653427514 483146023 /nfs/dbraw/zinc/14/60/23/483146023.db2.gz MXZCSCFHACOWQF-UONOGXRCSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000653427514 483146018 /nfs/dbraw/zinc/14/60/18/483146018.db2.gz MXZCSCFHACOWQF-UONOGXRCSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000653427515 483145533 /nfs/dbraw/zinc/14/55/33/483145533.db2.gz MXZCSCFHACOWQF-ZIAGYGMSSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000653427515 483145525 /nfs/dbraw/zinc/14/55/25/483145525.db2.gz MXZCSCFHACOWQF-ZIAGYGMSSA-N 2 1 369.466 -1.946 20 0 FAADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1=CC[N@@H+](C)CC1 ZINC000653429930 483146654 /nfs/dbraw/zinc/14/66/54/483146654.db2.gz REHNCLASJUCRBT-AWEZNQCLSA-N 2 1 365.478 -1.015 20 0 FAADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1=CC[N@@H+](C)CC1 ZINC000653429931 483147792 /nfs/dbraw/zinc/14/77/92/483147792.db2.gz REHNCLASJUCRBT-CQSZACIVSA-N 2 1 365.478 -1.015 20 0 FAADMP O[C@@H]1C[C@H]2CN(CCOCCN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829711 483527033 /nfs/dbraw/zinc/52/70/33/483527033.db2.gz TXJOZNCBKULYRH-WNRNVDISSA-N 2 1 354.495 -1.495 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654437191 483684209 /nfs/dbraw/zinc/68/42/09/483684209.db2.gz RAPZUKJTDMIAAP-LSDHHAIUSA-N 2 1 353.467 -1.001 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654437191 483684204 /nfs/dbraw/zinc/68/42/04/483684204.db2.gz RAPZUKJTDMIAAP-LSDHHAIUSA-N 2 1 353.467 -1.001 20 0 FAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654446105 483684375 /nfs/dbraw/zinc/68/43/75/483684375.db2.gz GZYZTRVYNJETDY-IXDOHACOSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654446105 483684372 /nfs/dbraw/zinc/68/43/72/483684372.db2.gz GZYZTRVYNJETDY-IXDOHACOSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654446105 483684370 /nfs/dbraw/zinc/68/43/70/483684370.db2.gz GZYZTRVYNJETDY-IXDOHACOSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654446106 483684755 /nfs/dbraw/zinc/68/47/55/483684755.db2.gz GZYZTRVYNJETDY-YESZJQIVSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654446106 483684752 /nfs/dbraw/zinc/68/47/52/483684752.db2.gz GZYZTRVYNJETDY-YESZJQIVSA-N 2 1 367.494 -1.147 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654446106 483684749 /nfs/dbraw/zinc/68/47/49/483684749.db2.gz GZYZTRVYNJETDY-YESZJQIVSA-N 2 1 367.494 -1.147 20 0 FAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000655969896 483698615 /nfs/dbraw/zinc/69/86/15/483698615.db2.gz CDDNQNCTCORFND-BETUJISGSA-N 2 1 359.496 -1.045 20 0 FAADMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656019223 483699904 /nfs/dbraw/zinc/69/99/04/483699904.db2.gz CQDGROYLJJTCOL-JKSUJKDBSA-N 2 1 361.446 -1.045 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000656020656 483700124 /nfs/dbraw/zinc/70/01/24/483700124.db2.gz VBNINFLEHBEPEL-KBPBESRZSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000656020657 483700344 /nfs/dbraw/zinc/70/03/44/483700344.db2.gz VBNINFLEHBEPEL-KGLIPLIRSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000656020658 483700028 /nfs/dbraw/zinc/70/00/28/483700028.db2.gz VBNINFLEHBEPEL-UONOGXRCSA-N 2 1 351.451 -1.333 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000656020659 483699724 /nfs/dbraw/zinc/69/97/24/483699724.db2.gz VBNINFLEHBEPEL-ZIAGYGMSSA-N 2 1 351.451 -1.333 20 0 FAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000656039718 483699706 /nfs/dbraw/zinc/69/97/06/483699706.db2.gz DTMJSFWTNFXVKW-KFWWJZLASA-N 2 1 365.478 -1.134 20 0 FAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000656039719 483700332 /nfs/dbraw/zinc/70/03/32/483700332.db2.gz DTMJSFWTNFXVKW-SOUVJXGZSA-N 2 1 365.478 -1.134 20 0 FAADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067812 483700177 /nfs/dbraw/zinc/70/01/77/483700177.db2.gz NDEGSCJSJUHSLR-ARFHVFGLSA-N 2 1 368.478 -1.167 20 0 FAADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067813 483699616 /nfs/dbraw/zinc/69/96/16/483699616.db2.gz NDEGSCJSJUHSLR-XHSDSOJGSA-N 2 1 368.478 -1.167 20 0 FAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656069827 483700802 /nfs/dbraw/zinc/70/08/02/483700802.db2.gz QMLDOTSMDDSGQS-LSDHHAIUSA-N 2 1 355.483 -1.784 20 0 FAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069827 483700799 /nfs/dbraw/zinc/70/07/99/483700799.db2.gz QMLDOTSMDDSGQS-LSDHHAIUSA-N 3 1 355.483 -1.784 20 0 FAADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070964 483700476 /nfs/dbraw/zinc/70/04/76/483700476.db2.gz LAWRXPBPCBOOKK-LSDHHAIUSA-N 2 1 368.478 -1.167 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000656075379 483701203 /nfs/dbraw/zinc/70/12/03/483701203.db2.gz KKZODJIYAOUNOW-JKSUJKDBSA-N 2 1 366.462 -1.413 20 0 FAADMP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000656075379 483701200 /nfs/dbraw/zinc/70/12/00/483701200.db2.gz KKZODJIYAOUNOW-JKSUJKDBSA-N 2 1 366.462 -1.413 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656080090 483701880 /nfs/dbraw/zinc/70/18/80/483701880.db2.gz XIIPDJBRISKVQN-HRCADAONSA-N 2 1 366.462 -1.556 20 0 FAADMP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656080090 483701879 /nfs/dbraw/zinc/70/18/79/483701879.db2.gz XIIPDJBRISKVQN-HRCADAONSA-N 2 1 366.462 -1.556 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656080091 483701728 /nfs/dbraw/zinc/70/17/28/483701728.db2.gz XIIPDJBRISKVQN-OWCLPIDISA-N 2 1 366.462 -1.556 20 0 FAADMP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656080091 483701726 /nfs/dbraw/zinc/70/17/26/483701726.db2.gz XIIPDJBRISKVQN-OWCLPIDISA-N 2 1 366.462 -1.556 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000656080397 483701933 /nfs/dbraw/zinc/70/19/33/483701933.db2.gz VKWPBZWAVQPJBI-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000656080397 483701932 /nfs/dbraw/zinc/70/19/32/483701932.db2.gz VKWPBZWAVQPJBI-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000656080397 483701930 /nfs/dbraw/zinc/70/19/30/483701930.db2.gz VKWPBZWAVQPJBI-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000656080397 483701927 /nfs/dbraw/zinc/70/19/27/483701927.db2.gz VKWPBZWAVQPJBI-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000656080398 483701892 /nfs/dbraw/zinc/70/18/92/483701892.db2.gz VKWPBZWAVQPJBI-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000656080398 483701891 /nfs/dbraw/zinc/70/18/91/483701891.db2.gz VKWPBZWAVQPJBI-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000656080398 483701890 /nfs/dbraw/zinc/70/18/90/483701890.db2.gz VKWPBZWAVQPJBI-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000656080398 483701889 /nfs/dbraw/zinc/70/18/89/483701889.db2.gz VKWPBZWAVQPJBI-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656082733 483702563 /nfs/dbraw/zinc/70/25/63/483702563.db2.gz JJLLVZATGOJIME-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656082733 483702562 /nfs/dbraw/zinc/70/25/62/483702562.db2.gz JJLLVZATGOJIME-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656082733 483702558 /nfs/dbraw/zinc/70/25/58/483702558.db2.gz JJLLVZATGOJIME-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656082733 483702555 /nfs/dbraw/zinc/70/25/55/483702555.db2.gz JJLLVZATGOJIME-QLFBSQMISA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656082734 483702649 /nfs/dbraw/zinc/70/26/49/483702649.db2.gz JJLLVZATGOJIME-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656082734 483702646 /nfs/dbraw/zinc/70/26/46/483702646.db2.gz JJLLVZATGOJIME-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656082734 483702643 /nfs/dbraw/zinc/70/26/43/483702643.db2.gz JJLLVZATGOJIME-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656082734 483702642 /nfs/dbraw/zinc/70/26/42/483702642.db2.gz JJLLVZATGOJIME-SOUVJXGZSA-N 2 1 368.478 -1.433 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000656087883 483702770 /nfs/dbraw/zinc/70/27/70/483702770.db2.gz ZFWIIBGRSZMLHT-UONOGXRCSA-N 2 1 367.450 -2.504 20 0 FAADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)CCO2 ZINC000656088840 483702865 /nfs/dbraw/zinc/70/28/65/483702865.db2.gz NLGZVYLFAHSSMQ-LSDHHAIUSA-N 2 1 366.462 -1.413 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)CC[NH+](C)C ZINC000656088994 483702299 /nfs/dbraw/zinc/70/22/99/483702299.db2.gz PNQYHYBRYDERDD-JKSUJKDBSA-N 2 1 369.510 -1.394 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC[NH+](C)C ZINC000656088994 483702295 /nfs/dbraw/zinc/70/22/95/483702295.db2.gz PNQYHYBRYDERDD-JKSUJKDBSA-N 2 1 369.510 -1.394 20 0 FAADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656088994 483702293 /nfs/dbraw/zinc/70/22/93/483702293.db2.gz PNQYHYBRYDERDD-JKSUJKDBSA-N 2 1 369.510 -1.394 20 0 FAADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656088994 483702290 /nfs/dbraw/zinc/70/22/90/483702290.db2.gz PNQYHYBRYDERDD-JKSUJKDBSA-N 2 1 369.510 -1.394 20 0 FAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656088994 483702288 /nfs/dbraw/zinc/70/22/88/483702288.db2.gz PNQYHYBRYDERDD-JKSUJKDBSA-N 2 1 369.510 -1.394 20 0 FAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102241 483703163 /nfs/dbraw/zinc/70/31/63/483703163.db2.gz HETWALGJERTIKC-HZSPNIEDSA-N 2 1 367.450 -2.423 20 0 FAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102242 483703247 /nfs/dbraw/zinc/70/32/47/483703247.db2.gz HETWALGJERTIKC-MELADBBJSA-N 2 1 367.450 -2.423 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000656104195 483703367 /nfs/dbraw/zinc/70/33/67/483703367.db2.gz JZWPHJCLUOTYLR-QLFBSQMISA-N 2 1 351.451 -2.230 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000656104196 483703453 /nfs/dbraw/zinc/70/34/53/483703453.db2.gz JZWPHJCLUOTYLR-SOUVJXGZSA-N 2 1 351.451 -2.230 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000656104272 483703263 /nfs/dbraw/zinc/70/32/63/483703263.db2.gz MQECFMHGCVERNA-QLFBSQMISA-N 2 1 351.451 -2.230 20 0 FAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000656104273 483703135 /nfs/dbraw/zinc/70/31/35/483703135.db2.gz MQECFMHGCVERNA-SOUVJXGZSA-N 2 1 351.451 -2.230 20 0 FAADMP O[C@@H]1C[C@H]2CN(c3nccnc3N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000656218528 483704733 /nfs/dbraw/zinc/70/47/33/483704733.db2.gz BPKPMEQMRAZGQQ-CAOSSQGBSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1C[C@H]2CN(c3cc(N4CC[N@H+]5C[C@H](O)C[C@H]5C4)ncn3)CC[NH+]2C1 ZINC000656218648 483704665 /nfs/dbraw/zinc/70/46/65/483704665.db2.gz DXPRFTFIUWYDJT-CAOSSQGBSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1C[C@H]2CN(c3cncc(N4CC[N@H+]5C[C@H](O)C[C@H]5C4)n3)CC[NH+]2C1 ZINC000656219372 483704977 /nfs/dbraw/zinc/70/49/77/483704977.db2.gz UTKMOSWOJCGOBV-CAOSSQGBSA-N 2 1 360.462 -1.013 20 0 FAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285158 483705606 /nfs/dbraw/zinc/70/56/06/483705606.db2.gz FDRCSKJAVQKYGT-ARFHVFGLSA-N 2 1 368.478 -1.263 20 0 FAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285158 483705605 /nfs/dbraw/zinc/70/56/05/483705605.db2.gz FDRCSKJAVQKYGT-ARFHVFGLSA-N 2 1 368.478 -1.263 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285158 483705602 /nfs/dbraw/zinc/70/56/02/483705602.db2.gz FDRCSKJAVQKYGT-ARFHVFGLSA-N 2 1 368.478 -1.263 20 0 FAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285162 483705206 /nfs/dbraw/zinc/70/52/06/483705206.db2.gz FDRCSKJAVQKYGT-XHSDSOJGSA-N 2 1 368.478 -1.263 20 0 FAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285162 483705202 /nfs/dbraw/zinc/70/52/02/483705202.db2.gz FDRCSKJAVQKYGT-XHSDSOJGSA-N 2 1 368.478 -1.263 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656285162 483705199 /nfs/dbraw/zinc/70/51/99/483705199.db2.gz FDRCSKJAVQKYGT-XHSDSOJGSA-N 2 1 368.478 -1.263 20 0 FAADMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000656291799 483705029 /nfs/dbraw/zinc/70/50/29/483705029.db2.gz NPIVYSUBYIYNDZ-OKILXGFUSA-N 2 1 353.467 -1.277 20 0 FAADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656293874 483705447 /nfs/dbraw/zinc/70/54/47/483705447.db2.gz OEEGWYFFPGKEFV-JKSUJKDBSA-N 2 1 367.494 -1.594 20 0 FAADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296947 483705482 /nfs/dbraw/zinc/70/54/82/483705482.db2.gz PKOSQGLHQNTVCK-LSDHHAIUSA-N 2 1 354.451 -1.508 20 0 FAADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000656298519 483705510 /nfs/dbraw/zinc/70/55/10/483705510.db2.gz GYJBVYHARBXTLJ-WOSRLPQWSA-N 2 1 356.492 -1.183 20 0 FAADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000656298520 483705529 /nfs/dbraw/zinc/70/55/29/483705529.db2.gz GYJBVYHARBXTLJ-ZENOOKHLSA-N 2 1 356.492 -1.183 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000656299564 483705301 /nfs/dbraw/zinc/70/53/01/483705301.db2.gz AIKPMHJSFAKFGN-HRCADAONSA-N 2 1 367.494 -1.737 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000656299565 483705549 /nfs/dbraw/zinc/70/55/49/483705549.db2.gz AIKPMHJSFAKFGN-OWCLPIDISA-N 2 1 367.494 -1.737 20 0 FAADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656303020 483705357 /nfs/dbraw/zinc/70/53/57/483705357.db2.gz YJIYHQXMVPHDFE-LSDHHAIUSA-N 2 1 354.451 -1.509 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000656308013 483704911 /nfs/dbraw/zinc/70/49/11/483704911.db2.gz ZCJBLOOSDUMHPC-QLFBSQMISA-N 2 1 354.451 -1.652 20 0 FAADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000656308013 483704909 /nfs/dbraw/zinc/70/49/09/483704909.db2.gz ZCJBLOOSDUMHPC-QLFBSQMISA-N 2 1 354.451 -1.652 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000656308014 483705141 /nfs/dbraw/zinc/70/51/41/483705141.db2.gz ZCJBLOOSDUMHPC-SOUVJXGZSA-N 2 1 354.451 -1.652 20 0 FAADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000656308014 483705138 /nfs/dbraw/zinc/70/51/38/483705138.db2.gz ZCJBLOOSDUMHPC-SOUVJXGZSA-N 2 1 354.451 -1.652 20 0 FAADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656308369 483705546 /nfs/dbraw/zinc/70/55/46/483705546.db2.gz CXDJWGJWEXDOQY-JKSUJKDBSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309768 483705056 /nfs/dbraw/zinc/70/50/56/483705056.db2.gz VCPVLWHZLBZHDG-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309768 483705055 /nfs/dbraw/zinc/70/50/55/483705055.db2.gz VCPVLWHZLBZHDG-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309768 483705053 /nfs/dbraw/zinc/70/50/53/483705053.db2.gz VCPVLWHZLBZHDG-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309769 483705118 /nfs/dbraw/zinc/70/51/18/483705118.db2.gz VCPVLWHZLBZHDG-SOUVJXGZSA-N 2 1 354.451 -1.509 20 0 FAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309769 483705116 /nfs/dbraw/zinc/70/51/16/483705116.db2.gz VCPVLWHZLBZHDG-SOUVJXGZSA-N 2 1 354.451 -1.509 20 0 FAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309769 483705113 /nfs/dbraw/zinc/70/51/13/483705113.db2.gz VCPVLWHZLBZHDG-SOUVJXGZSA-N 2 1 354.451 -1.509 20 0 FAADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1(C)C ZINC000656316976 483706359 /nfs/dbraw/zinc/70/63/59/483706359.db2.gz AYOGCYPAPAPOAH-LSDHHAIUSA-N 2 1 367.494 -1.594 20 0 FAADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1(C)C ZINC000656316976 483706356 /nfs/dbraw/zinc/70/63/56/483706356.db2.gz AYOGCYPAPAPOAH-LSDHHAIUSA-N 2 1 367.494 -1.594 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1(C)C ZINC000656316976 483706353 /nfs/dbraw/zinc/70/63/53/483706353.db2.gz AYOGCYPAPAPOAH-LSDHHAIUSA-N 2 1 367.494 -1.594 20 0 FAADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327938 483706080 /nfs/dbraw/zinc/70/60/80/483706080.db2.gz YNXLESPFZYYDRL-HRCADAONSA-N 2 1 368.478 -1.119 20 0 FAADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327938 483706077 /nfs/dbraw/zinc/70/60/77/483706077.db2.gz YNXLESPFZYYDRL-HRCADAONSA-N 2 1 368.478 -1.119 20 0 FAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327938 483706076 /nfs/dbraw/zinc/70/60/76/483706076.db2.gz YNXLESPFZYYDRL-HRCADAONSA-N 2 1 368.478 -1.119 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327941 483705989 /nfs/dbraw/zinc/70/59/89/483705989.db2.gz YNXLESPFZYYDRL-OWCLPIDISA-N 2 1 368.478 -1.119 20 0 FAADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327941 483705985 /nfs/dbraw/zinc/70/59/85/483705985.db2.gz YNXLESPFZYYDRL-OWCLPIDISA-N 2 1 368.478 -1.119 20 0 FAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656327941 483705983 /nfs/dbraw/zinc/70/59/83/483705983.db2.gz YNXLESPFZYYDRL-OWCLPIDISA-N 2 1 368.478 -1.119 20 0 FAADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000658676519 483734428 /nfs/dbraw/zinc/73/44/28/483734428.db2.gz HDGRMZZGJWPMDU-HNNXBMFYSA-N 2 1 365.478 -1.229 20 0 FAADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000658676522 483734762 /nfs/dbraw/zinc/73/47/62/483734762.db2.gz HDGRMZZGJWPMDU-OAHLLOKOSA-N 2 1 365.478 -1.229 20 0 FAADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000658785178 483735340 /nfs/dbraw/zinc/73/53/40/483735340.db2.gz LTUARCRKNWVUCT-ARFHVFGLSA-N 2 1 368.478 -1.167 20 0 FAADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000658785180 483692556 /nfs/dbraw/zinc/69/25/56/483692556.db2.gz LTUARCRKNWVUCT-XHSDSOJGSA-N 2 1 368.478 -1.167 20 0 FAADMP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658803241 483735902 /nfs/dbraw/zinc/73/59/02/483735902.db2.gz OTIHTFQHFVNUNT-AWEZNQCLSA-N 2 1 353.467 -1.229 20 0 FAADMP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803242 483735793 /nfs/dbraw/zinc/73/57/93/483735793.db2.gz OTIHTFQHFVNUNT-CQSZACIVSA-N 2 1 353.467 -1.229 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659671530 483738722 /nfs/dbraw/zinc/73/87/22/483738722.db2.gz BBEXBWVTMHTUOC-CHWSQXEVSA-N 2 1 357.430 -1.447 20 0 FAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659687796 483739535 /nfs/dbraw/zinc/73/95/35/483739535.db2.gz NKJMMBQKPSIEAW-AWEZNQCLSA-N 2 1 363.466 -1.171 20 0 FAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659687797 483739661 /nfs/dbraw/zinc/73/96/61/483739661.db2.gz NKJMMBQKPSIEAW-CQSZACIVSA-N 2 1 363.466 -1.171 20 0 FAADMP C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000659694396 483739504 /nfs/dbraw/zinc/73/95/04/483739504.db2.gz IXJCXNBUTHWNQG-KGLIPLIRSA-N 2 1 353.467 -1.148 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659695637 483739414 /nfs/dbraw/zinc/73/94/14/483739414.db2.gz AJJGASRORBUENW-JHJVBQTASA-N 2 1 357.430 -1.412 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659695642 483739194 /nfs/dbraw/zinc/73/91/94/483739194.db2.gz AJJGASRORBUENW-YNEHKIRRSA-N 2 1 357.430 -1.412 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659696749 483739551 /nfs/dbraw/zinc/73/95/51/483739551.db2.gz PWUYPRFRFSVYOX-JZLYGMAVSA-N 2 1 351.451 -1.360 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659696770 483739376 /nfs/dbraw/zinc/73/93/76/483739376.db2.gz PWUYPRFRFSVYOX-UIORMTCPSA-N 2 1 351.451 -1.360 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659697511 483739565 /nfs/dbraw/zinc/73/95/65/483739565.db2.gz XFSZVZUVSBNGRF-JZLYGMAVSA-N 2 1 351.451 -1.442 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659697514 483739246 /nfs/dbraw/zinc/73/92/46/483739246.db2.gz XFSZVZUVSBNGRF-UIORMTCPSA-N 2 1 351.451 -1.442 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659699692 483739516 /nfs/dbraw/zinc/73/95/16/483739516.db2.gz SXFRSBWNEMAFCK-FVRSWCFKSA-N 2 1 365.478 -1.005 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659699693 483739544 /nfs/dbraw/zinc/73/95/44/483739544.db2.gz SXFRSBWNEMAFCK-TXKKKEFDSA-N 2 1 365.478 -1.005 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659699870 483739492 /nfs/dbraw/zinc/73/94/92/483739492.db2.gz WTBBXFCAPGWPBO-MCIONIFRSA-N 2 1 371.457 -1.057 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659699871 483739638 /nfs/dbraw/zinc/73/96/38/483739638.db2.gz WTBBXFCAPGWPBO-MGPQQGTHSA-N 2 1 371.457 -1.057 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659699918 483739449 /nfs/dbraw/zinc/73/94/49/483739449.db2.gz XNNAWSLBUWLZTG-FVRSWCFKSA-N 2 1 365.478 -1.087 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659699920 483739388 /nfs/dbraw/zinc/73/93/88/483739388.db2.gz XNNAWSLBUWLZTG-TXKKKEFDSA-N 2 1 365.478 -1.087 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659700071 483739651 /nfs/dbraw/zinc/73/96/51/483739651.db2.gz ZOPQISHQZCUAPZ-OCCSQVGLSA-N 2 1 353.467 -1.101 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659700939 483739332 /nfs/dbraw/zinc/73/93/32/483739332.db2.gz BOSCDGSFZCBXFL-UHFFFAOYSA-N 2 1 365.478 -1.039 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659702326 483739230 /nfs/dbraw/zinc/73/92/30/483739230.db2.gz PFBYSNZGLALOEY-ZIAGYGMSSA-N 2 1 371.457 -1.009 20 0 FAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659728951 483740399 /nfs/dbraw/zinc/74/03/99/483740399.db2.gz PKHMWAUEVUCYMF-RBSFLKMASA-N 2 1 366.462 -1.149 20 0 FAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659728952 483740674 /nfs/dbraw/zinc/74/06/74/483740674.db2.gz PKHMWAUEVUCYMF-RRFJBIMHSA-N 2 1 366.462 -1.149 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733325 483273843 /nfs/dbraw/zinc/27/38/43/483273843.db2.gz SVQTZMCZZWRDKM-UHFFFAOYSA-N 2 1 353.467 -1.003 20 0 FAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659738622 483740604 /nfs/dbraw/zinc/74/06/04/483740604.db2.gz HGCSADVAZOOYHG-KBPBESRZSA-N 2 1 353.467 -1.100 20 0 FAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659738623 483740382 /nfs/dbraw/zinc/74/03/82/483740382.db2.gz HGCSADVAZOOYHG-KGLIPLIRSA-N 2 1 353.467 -1.100 20 0 FAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659738624 483740517 /nfs/dbraw/zinc/74/05/17/483740517.db2.gz HGCSADVAZOOYHG-UONOGXRCSA-N 2 1 353.467 -1.100 20 0 FAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659738625 483740404 /nfs/dbraw/zinc/74/04/04/483740404.db2.gz HGCSADVAZOOYHG-ZIAGYGMSSA-N 2 1 353.467 -1.100 20 0 FAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739118 483740737 /nfs/dbraw/zinc/74/07/37/483740737.db2.gz NXTNGHANYYZJPD-RBSFLKMASA-N 2 1 366.462 -1.068 20 0 FAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739119 483740374 /nfs/dbraw/zinc/74/03/74/483740374.db2.gz NXTNGHANYYZJPD-RRFJBIMHSA-N 2 1 366.462 -1.068 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659743517 483741306 /nfs/dbraw/zinc/74/13/06/483741306.db2.gz JPKBINYPHPSVML-UHFFFAOYSA-N 2 1 351.451 -1.523 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745716 483741207 /nfs/dbraw/zinc/74/12/07/483741207.db2.gz URRYUKJHHMBGNS-FVRSWCFKSA-N 2 1 363.462 -1.380 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745717 483741080 /nfs/dbraw/zinc/74/10/80/483741080.db2.gz URRYUKJHHMBGNS-TXKKKEFDSA-N 2 1 363.462 -1.380 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253394 483745389 /nfs/dbraw/zinc/74/53/89/483745389.db2.gz XEGIXWMYNAZRNN-AWEZNQCLSA-N 2 1 360.480 -1.298 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253395 483745724 /nfs/dbraw/zinc/74/57/24/483745724.db2.gz XEGIXWMYNAZRNN-CQSZACIVSA-N 2 1 360.480 -1.298 20 0 FAADMP [NH3+]CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)CO ZINC000662287723 483745678 /nfs/dbraw/zinc/74/56/78/483745678.db2.gz HNCUHWPZGKKQGB-KRWDZBQOSA-N 2 1 350.463 -1.055 20 0 FAADMP [NH3+]CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)CO ZINC000662287724 483745602 /nfs/dbraw/zinc/74/56/02/483745602.db2.gz HNCUHWPZGKKQGB-QGZVFWFLSA-N 2 1 350.463 -1.055 20 0 FAADMP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000662377062 483745501 /nfs/dbraw/zinc/74/55/01/483745501.db2.gz ZTWGEOJIFFRNIY-UHFFFAOYSA-N 2 1 359.438 -1.031 20 0 FAADMP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577855 483746450 /nfs/dbraw/zinc/74/64/50/483746450.db2.gz NNXNPVDFCJUATG-LLVKDONJSA-N 2 1 368.463 -1.454 20 0 FAADMP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577856 483746459 /nfs/dbraw/zinc/74/64/59/483746459.db2.gz NNXNPVDFCJUATG-NSHDSACASA-N 2 1 368.463 -1.454 20 0 FAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662817727 483746870 /nfs/dbraw/zinc/74/68/70/483746870.db2.gz VWKSRVGQDJHFMZ-GFCCVEGCSA-N 2 1 370.397 -1.026 20 0 FAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662817729 483746974 /nfs/dbraw/zinc/74/69/74/483746974.db2.gz VWKSRVGQDJHFMZ-LBPRGKRZSA-N 2 1 370.397 -1.026 20 0 FAADMP CC(C)([NH3+])c1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)on1 ZINC000662817978 483747131 /nfs/dbraw/zinc/74/71/31/483747131.db2.gz ZAKAHAIBWSCFNX-UHFFFAOYSA-N 2 1 357.436 -1.072 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662939963 483748291 /nfs/dbraw/zinc/74/82/91/483748291.db2.gz RRDKHMLEWHKRGW-UHFFFAOYSA-N 2 1 351.451 -1.441 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662940946 483748128 /nfs/dbraw/zinc/74/81/28/483748128.db2.gz QSOQJIZCCWZICY-FVRSWCFKSA-N 2 1 363.462 -1.299 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662940949 483748072 /nfs/dbraw/zinc/74/80/72/483748072.db2.gz QSOQJIZCCWZICY-TXKKKEFDSA-N 2 1 363.462 -1.299 20 0 FAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000662941485 483748038 /nfs/dbraw/zinc/74/80/38/483748038.db2.gz WLKXJTGAOPOGSM-CYBMUJFWSA-N 2 1 353.467 -1.053 20 0 FAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000662941488 483748152 /nfs/dbraw/zinc/74/81/52/483748152.db2.gz WLKXJTGAOPOGSM-ZDUSSCGKSA-N 2 1 353.467 -1.053 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662941850 483748873 /nfs/dbraw/zinc/74/88/73/483748873.db2.gz ZNTBFESNVXNWIL-MCIONIFRSA-N 2 1 369.441 -1.351 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662941851 483748803 /nfs/dbraw/zinc/74/88/03/483748803.db2.gz ZNTBFESNVXNWIL-MGPQQGTHSA-N 2 1 369.441 -1.351 20 0 FAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000663617634 483750894 /nfs/dbraw/zinc/75/08/94/483750894.db2.gz MQYZDGPBGKSNMW-UHFFFAOYSA-N 2 1 370.498 -1.188 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663664099 483750940 /nfs/dbraw/zinc/75/09/40/483750940.db2.gz OIAFJKUBKLNFNC-UHFFFAOYSA-N 2 1 370.498 -1.142 20 0 FAADMP O[C@@H]1CC[NH+](C2CN(c3cnc(N4CC([N@H+]5CC[C@@H](O)C5)C4)cn3)C2)C1 ZINC000664066911 483751235 /nfs/dbraw/zinc/75/12/35/483751235.db2.gz GBPRCTDFAQNXQJ-HZPDHXFCSA-N 2 1 360.462 -1.013 20 0 FAADMP O[C@@H]1C[C@H]2CN(c3cnc(N4CC[N@H+]5C[C@H](O)C[C@H]5C4)cn3)CC[NH+]2C1 ZINC000664076318 483751262 /nfs/dbraw/zinc/75/12/62/483751262.db2.gz PLTASXJRIGSXBP-CAOSSQGBSA-N 2 1 360.462 -1.013 20 0 FAADMP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1O ZINC000664142775 483752312 /nfs/dbraw/zinc/75/23/12/483752312.db2.gz KPWKVLRLZDKITB-JYJNAYRXSA-N 2 1 355.483 -1.291 20 0 FAADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1O ZINC000664142776 483752032 /nfs/dbraw/zinc/75/20/32/483752032.db2.gz KPWKVLRLZDKITB-PMPSAXMXSA-N 2 1 355.483 -1.291 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727878 483752930 /nfs/dbraw/zinc/75/29/30/483752930.db2.gz RVAGPUJBDTUAAR-HNNXBMFYSA-N 2 1 366.462 -1.100 20 0 FAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727881 483752555 /nfs/dbraw/zinc/75/25/55/483752555.db2.gz RVAGPUJBDTUAAR-OAHLLOKOSA-N 2 1 366.462 -1.100 20 0 FAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000665005532 483753412 /nfs/dbraw/zinc/75/34/12/483753412.db2.gz KNQLYODWCBYDTI-ZDUSSCGKSA-N 2 1 366.532 -1.046 20 0 FAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000665005532 483753411 /nfs/dbraw/zinc/75/34/11/483753411.db2.gz KNQLYODWCBYDTI-ZDUSSCGKSA-N 2 1 366.532 -1.046 20 0 FAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000665763991 482606589 /nfs/dbraw/zinc/60/65/89/482606589.db2.gz QYMLEAVODVTQTH-ZDUSSCGKSA-N 2 1 356.471 -1.403 20 0 FAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000665763991 482606584 /nfs/dbraw/zinc/60/65/84/482606584.db2.gz QYMLEAVODVTQTH-ZDUSSCGKSA-N 2 1 356.471 -1.403 20 0 FAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668490498 657977633 /nfs/dbraw/zinc/97/76/33/657977633.db2.gz SDUSAANWWBJWBC-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668490498 657977631 /nfs/dbraw/zinc/97/76/31/657977631.db2.gz SDUSAANWWBJWBC-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668490502 657977772 /nfs/dbraw/zinc/97/77/72/657977772.db2.gz SDUSAANWWBJWBC-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668490502 657977767 /nfs/dbraw/zinc/97/77/67/657977767.db2.gz SDUSAANWWBJWBC-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000668490612 657977726 /nfs/dbraw/zinc/97/77/26/657977726.db2.gz VBIHFNONMMFKSF-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000668490612 657977723 /nfs/dbraw/zinc/97/77/23/657977723.db2.gz VBIHFNONMMFKSF-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000668490613 657977589 /nfs/dbraw/zinc/97/75/89/657977589.db2.gz VBIHFNONMMFKSF-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000668490613 657977585 /nfs/dbraw/zinc/97/75/85/657977585.db2.gz VBIHFNONMMFKSF-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000668521389 482630969 /nfs/dbraw/zinc/63/09/69/482630969.db2.gz BVLDDGPILBVGIU-AWEZNQCLSA-N 2 1 353.467 -1.087 20 0 FAADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000668521389 482630964 /nfs/dbraw/zinc/63/09/64/482630964.db2.gz BVLDDGPILBVGIU-AWEZNQCLSA-N 2 1 353.467 -1.087 20 0 FAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000668521390 482631067 /nfs/dbraw/zinc/63/10/67/482631067.db2.gz BVLDDGPILBVGIU-CQSZACIVSA-N 2 1 353.467 -1.087 20 0 FAADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000668521390 482631057 /nfs/dbraw/zinc/63/10/57/482631057.db2.gz BVLDDGPILBVGIU-CQSZACIVSA-N 2 1 353.467 -1.087 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668751707 482710166 /nfs/dbraw/zinc/71/01/66/482710166.db2.gz YJMSOBMXGWNZEU-HNNXBMFYSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668751707 482710161 /nfs/dbraw/zinc/71/01/61/482710161.db2.gz YJMSOBMXGWNZEU-HNNXBMFYSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668751707 482710155 /nfs/dbraw/zinc/71/01/55/482710155.db2.gz YJMSOBMXGWNZEU-HNNXBMFYSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668751708 482709928 /nfs/dbraw/zinc/70/99/28/482709928.db2.gz YJMSOBMXGWNZEU-OAHLLOKOSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668751708 482709922 /nfs/dbraw/zinc/70/99/22/482709922.db2.gz YJMSOBMXGWNZEU-OAHLLOKOSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668751708 482709915 /nfs/dbraw/zinc/70/99/15/482709915.db2.gz YJMSOBMXGWNZEU-OAHLLOKOSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843830 482750765 /nfs/dbraw/zinc/75/07/65/482750765.db2.gz YZAKPVJCGPOJKG-GDBMZVCRSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843830 482750756 /nfs/dbraw/zinc/75/07/56/482750756.db2.gz YZAKPVJCGPOJKG-GDBMZVCRSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843830 482750749 /nfs/dbraw/zinc/75/07/49/482750749.db2.gz YZAKPVJCGPOJKG-GDBMZVCRSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843831 482751189 /nfs/dbraw/zinc/75/11/89/482751189.db2.gz YZAKPVJCGPOJKG-GOEBONIOSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843831 482751186 /nfs/dbraw/zinc/75/11/86/482751186.db2.gz YZAKPVJCGPOJKG-GOEBONIOSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668843831 482751183 /nfs/dbraw/zinc/75/11/83/482751183.db2.gz YZAKPVJCGPOJKG-GOEBONIOSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668843832 482751123 /nfs/dbraw/zinc/75/11/23/482751123.db2.gz YZAKPVJCGPOJKG-HOCLYGCPSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668843832 482751119 /nfs/dbraw/zinc/75/11/19/482751119.db2.gz YZAKPVJCGPOJKG-HOCLYGCPSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668843832 482751116 /nfs/dbraw/zinc/75/11/16/482751116.db2.gz YZAKPVJCGPOJKG-HOCLYGCPSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668843833 482750456 /nfs/dbraw/zinc/75/04/56/482750456.db2.gz YZAKPVJCGPOJKG-ZBFHGGJFSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668843833 482750452 /nfs/dbraw/zinc/75/04/52/482750452.db2.gz YZAKPVJCGPOJKG-ZBFHGGJFSA-N 2 1 368.478 -1.119 20 0 FAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668843833 482750444 /nfs/dbraw/zinc/75/04/44/482750444.db2.gz YZAKPVJCGPOJKG-ZBFHGGJFSA-N 2 1 368.478 -1.119 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668893023 482774773 /nfs/dbraw/zinc/77/47/73/482774773.db2.gz LURKRXMTDNAVFM-CVEARBPZSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668893025 482774118 /nfs/dbraw/zinc/77/41/18/482774118.db2.gz LURKRXMTDNAVFM-HOTGVXAUSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668893026 482773380 /nfs/dbraw/zinc/77/33/80/482773380.db2.gz LURKRXMTDNAVFM-HZPDHXFCSA-N 2 1 369.510 -1.082 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668893027 482774497 /nfs/dbraw/zinc/77/44/97/482774497.db2.gz LURKRXMTDNAVFM-JKSUJKDBSA-N 2 1 369.510 -1.082 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000669228244 482908134 /nfs/dbraw/zinc/90/81/34/482908134.db2.gz KRNHGEFIWBEEIZ-HNNXBMFYSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000669228246 482907802 /nfs/dbraw/zinc/90/78/02/482907802.db2.gz KRNHGEFIWBEEIZ-OAHLLOKOSA-N 2 1 356.467 -1.262 20 0 FAADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000670431024 483722823 /nfs/dbraw/zinc/72/28/23/483722823.db2.gz GQKBYSFBTFHYAB-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000670431024 483722818 /nfs/dbraw/zinc/72/28/18/483722818.db2.gz GQKBYSFBTFHYAB-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670967375 483151845 /nfs/dbraw/zinc/15/18/45/483151845.db2.gz IPVRGLIBXMUJNC-HNNXBMFYSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670967375 483151838 /nfs/dbraw/zinc/15/18/38/483151838.db2.gz IPVRGLIBXMUJNC-HNNXBMFYSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670967376 483151530 /nfs/dbraw/zinc/15/15/30/483151530.db2.gz IPVRGLIBXMUJNC-OAHLLOKOSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670967376 483151524 /nfs/dbraw/zinc/15/15/24/483151524.db2.gz IPVRGLIBXMUJNC-OAHLLOKOSA-N 2 1 365.478 -1.133 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670967582 483151323 /nfs/dbraw/zinc/15/13/23/483151323.db2.gz DYKJEVFXWIEFKO-AWEZNQCLSA-N 2 1 351.451 -1.427 20 0 FAADMP CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670967582 483151317 /nfs/dbraw/zinc/15/13/17/483151317.db2.gz DYKJEVFXWIEFKO-AWEZNQCLSA-N 2 1 351.451 -1.427 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670967583 483152160 /nfs/dbraw/zinc/15/21/60/483152160.db2.gz DYKJEVFXWIEFKO-CQSZACIVSA-N 2 1 351.451 -1.427 20 0 FAADMP CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670967583 483152149 /nfs/dbraw/zinc/15/21/49/483152149.db2.gz DYKJEVFXWIEFKO-CQSZACIVSA-N 2 1 351.451 -1.427 20 0 FAADMP C[C@H]1COCCN1CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967733 483151361 /nfs/dbraw/zinc/15/13/61/483151361.db2.gz QFFORCBWWUNYEK-AWEZNQCLSA-N 2 1 369.466 -1.896 20 0 FAADMP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967734 483151564 /nfs/dbraw/zinc/15/15/64/483151564.db2.gz QFFORCBWWUNYEK-CQSZACIVSA-N 2 1 369.466 -1.896 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000670967736 483151865 /nfs/dbraw/zinc/15/18/65/483151865.db2.gz QSKBMPHMYPCRDE-HNNXBMFYSA-N 2 1 365.478 -1.037 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000670967737 483152489 /nfs/dbraw/zinc/15/24/89/483152489.db2.gz QSKBMPHMYPCRDE-OAHLLOKOSA-N 2 1 365.478 -1.037 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000670967740 483152369 /nfs/dbraw/zinc/15/23/69/483152369.db2.gz RNFGDEOZSHIBLO-KBPBESRZSA-N 2 1 369.466 -1.898 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000670967741 483152016 /nfs/dbraw/zinc/15/20/16/483152016.db2.gz RNFGDEOZSHIBLO-KGLIPLIRSA-N 2 1 369.466 -1.898 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000670967742 483152226 /nfs/dbraw/zinc/15/22/26/483152226.db2.gz RNFGDEOZSHIBLO-UONOGXRCSA-N 2 1 369.466 -1.898 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000670967743 483150897 /nfs/dbraw/zinc/15/08/97/483150897.db2.gz RNFGDEOZSHIBLO-ZIAGYGMSSA-N 2 1 369.466 -1.898 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967834 483153542 /nfs/dbraw/zinc/15/35/42/483153542.db2.gz QCGZDLYVBPLKDZ-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967834 483153537 /nfs/dbraw/zinc/15/35/37/483153537.db2.gz QCGZDLYVBPLKDZ-CABCVRRESA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967835 483153792 /nfs/dbraw/zinc/15/37/92/483153792.db2.gz QCGZDLYVBPLKDZ-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967835 483153787 /nfs/dbraw/zinc/15/37/87/483153787.db2.gz QCGZDLYVBPLKDZ-GJZGRUSLSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967836 483154133 /nfs/dbraw/zinc/15/41/33/483154133.db2.gz QCGZDLYVBPLKDZ-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967836 483154126 /nfs/dbraw/zinc/15/41/26/483154126.db2.gz QCGZDLYVBPLKDZ-HUUCEWRRSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967837 483154085 /nfs/dbraw/zinc/15/40/85/483154085.db2.gz QCGZDLYVBPLKDZ-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967837 483154079 /nfs/dbraw/zinc/15/40/79/483154079.db2.gz QCGZDLYVBPLKDZ-LSDHHAIUSA-N 2 1 365.478 -1.038 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671060199 483205153 /nfs/dbraw/zinc/20/51/53/483205153.db2.gz APWLAYIGSPOOKL-HNNXBMFYSA-N 2 1 365.478 -1.087 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671060199 483205145 /nfs/dbraw/zinc/20/51/45/483205145.db2.gz APWLAYIGSPOOKL-HNNXBMFYSA-N 2 1 365.478 -1.087 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671060200 483206009 /nfs/dbraw/zinc/20/60/09/483206009.db2.gz APWLAYIGSPOOKL-OAHLLOKOSA-N 2 1 365.478 -1.087 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671060200 483206003 /nfs/dbraw/zinc/20/60/03/483206003.db2.gz APWLAYIGSPOOKL-OAHLLOKOSA-N 2 1 365.478 -1.087 20 0 FAADMP C[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000671981588 483784379 /nfs/dbraw/zinc/78/43/79/483784379.db2.gz YHNKDXRBKXYCFF-CYBMUJFWSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000671981588 483784377 /nfs/dbraw/zinc/78/43/77/483784377.db2.gz YHNKDXRBKXYCFF-CYBMUJFWSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000671981588 483784375 /nfs/dbraw/zinc/78/43/75/483784375.db2.gz YHNKDXRBKXYCFF-CYBMUJFWSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000671981589 483784314 /nfs/dbraw/zinc/78/43/14/483784314.db2.gz YHNKDXRBKXYCFF-ZDUSSCGKSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000671981589 483784311 /nfs/dbraw/zinc/78/43/11/483784311.db2.gz YHNKDXRBKXYCFF-ZDUSSCGKSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000671981589 483784310 /nfs/dbraw/zinc/78/43/10/483784310.db2.gz YHNKDXRBKXYCFF-ZDUSSCGKSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981782 483784431 /nfs/dbraw/zinc/78/44/31/483784431.db2.gz VUIHHVHJOIDMKU-KBPBESRZSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981782 483784430 /nfs/dbraw/zinc/78/44/30/483784430.db2.gz VUIHHVHJOIDMKU-KBPBESRZSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981782 483784429 /nfs/dbraw/zinc/78/44/29/483784429.db2.gz VUIHHVHJOIDMKU-KBPBESRZSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981783 483784412 /nfs/dbraw/zinc/78/44/12/483784412.db2.gz VUIHHVHJOIDMKU-KGLIPLIRSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981783 483784411 /nfs/dbraw/zinc/78/44/11/483784411.db2.gz VUIHHVHJOIDMKU-KGLIPLIRSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981783 483784410 /nfs/dbraw/zinc/78/44/10/483784410.db2.gz VUIHHVHJOIDMKU-KGLIPLIRSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981784 483784341 /nfs/dbraw/zinc/78/43/41/483784341.db2.gz VUIHHVHJOIDMKU-UONOGXRCSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981784 483784339 /nfs/dbraw/zinc/78/43/39/483784339.db2.gz VUIHHVHJOIDMKU-UONOGXRCSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981784 483784338 /nfs/dbraw/zinc/78/43/38/483784338.db2.gz VUIHHVHJOIDMKU-UONOGXRCSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981785 483783980 /nfs/dbraw/zinc/78/39/80/483783980.db2.gz VUIHHVHJOIDMKU-ZIAGYGMSSA-N 2 1 353.467 -1.100 20 0 FAADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981785 483783976 /nfs/dbraw/zinc/78/39/76/483783976.db2.gz VUIHHVHJOIDMKU-ZIAGYGMSSA-N 2 1 353.467 -1.100 20 0 FAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981785 483783975 /nfs/dbraw/zinc/78/39/75/483783975.db2.gz VUIHHVHJOIDMKU-ZIAGYGMSSA-N 2 1 353.467 -1.100 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672004059 482665953 /nfs/dbraw/zinc/66/59/53/482665953.db2.gz GFBXGRDGTCUYHZ-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672004060 482666767 /nfs/dbraw/zinc/66/67/67/482666767.db2.gz GFBXGRDGTCUYHZ-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672004176 482666885 /nfs/dbraw/zinc/66/68/85/482666885.db2.gz XRFFLJYIZXRTEZ-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672004176 482666880 /nfs/dbraw/zinc/66/68/80/482666880.db2.gz XRFFLJYIZXRTEZ-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672004176 482666874 /nfs/dbraw/zinc/66/68/74/482666874.db2.gz XRFFLJYIZXRTEZ-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672004181 482666957 /nfs/dbraw/zinc/66/69/57/482666957.db2.gz XRFFLJYIZXRTEZ-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672004181 482666950 /nfs/dbraw/zinc/66/69/50/482666950.db2.gz XRFFLJYIZXRTEZ-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672004181 482666946 /nfs/dbraw/zinc/66/69/46/482666946.db2.gz XRFFLJYIZXRTEZ-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638089 482689638 /nfs/dbraw/zinc/68/96/38/482689638.db2.gz JFGFFTAXPUXVGD-ZDUSSCGKSA-N 2 1 353.467 -1.134 20 0 FAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000672642199 483788120 /nfs/dbraw/zinc/78/81/20/483788120.db2.gz YYCOUOFIIAJDLS-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000672642199 483788119 /nfs/dbraw/zinc/78/81/19/483788119.db2.gz YYCOUOFIIAJDLS-HNNXBMFYSA-N 2 1 369.510 -1.035 20 0 FAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000672642200 483788113 /nfs/dbraw/zinc/78/81/13/483788113.db2.gz YYCOUOFIIAJDLS-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000672642200 483788112 /nfs/dbraw/zinc/78/81/12/483788112.db2.gz YYCOUOFIIAJDLS-OAHLLOKOSA-N 2 1 369.510 -1.035 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672854900 483787740 /nfs/dbraw/zinc/78/77/40/483787740.db2.gz IQSPRVKXABEZHD-CABCVRRESA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672854900 483787738 /nfs/dbraw/zinc/78/77/38/483787738.db2.gz IQSPRVKXABEZHD-CABCVRRESA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672854900 483787733 /nfs/dbraw/zinc/78/77/33/483787733.db2.gz IQSPRVKXABEZHD-CABCVRRESA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672854900 483787731 /nfs/dbraw/zinc/78/77/31/483787731.db2.gz IQSPRVKXABEZHD-CABCVRRESA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672854901 483787932 /nfs/dbraw/zinc/78/79/32/483787932.db2.gz IQSPRVKXABEZHD-GJZGRUSLSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672854901 483787929 /nfs/dbraw/zinc/78/79/29/483787929.db2.gz IQSPRVKXABEZHD-GJZGRUSLSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672854901 483787925 /nfs/dbraw/zinc/78/79/25/483787925.db2.gz IQSPRVKXABEZHD-GJZGRUSLSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672854901 483787924 /nfs/dbraw/zinc/78/79/24/483787924.db2.gz IQSPRVKXABEZHD-GJZGRUSLSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672854902 483788032 /nfs/dbraw/zinc/78/80/32/483788032.db2.gz IQSPRVKXABEZHD-HUUCEWRRSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672854902 483788030 /nfs/dbraw/zinc/78/80/30/483788030.db2.gz IQSPRVKXABEZHD-HUUCEWRRSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672854902 483788028 /nfs/dbraw/zinc/78/80/28/483788028.db2.gz IQSPRVKXABEZHD-HUUCEWRRSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672854902 483788027 /nfs/dbraw/zinc/78/80/27/483788027.db2.gz IQSPRVKXABEZHD-HUUCEWRRSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672854903 483787956 /nfs/dbraw/zinc/78/79/56/483787956.db2.gz IQSPRVKXABEZHD-LSDHHAIUSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672854903 483787953 /nfs/dbraw/zinc/78/79/53/483787953.db2.gz IQSPRVKXABEZHD-LSDHHAIUSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672854903 483787949 /nfs/dbraw/zinc/78/79/49/483787949.db2.gz IQSPRVKXABEZHD-LSDHHAIUSA-N 2 1 369.510 -1.036 20 0 FAADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672854903 483787946 /nfs/dbraw/zinc/78/79/46/483787946.db2.gz IQSPRVKXABEZHD-LSDHHAIUSA-N 2 1 369.510 -1.036 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673351681 483789538 /nfs/dbraw/zinc/78/95/38/483789538.db2.gz BXLWUCRJAJCHHX-INIZCTEOSA-N 2 1 369.510 -1.081 20 0 FAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673351682 483789062 /nfs/dbraw/zinc/78/90/62/483789062.db2.gz BXLWUCRJAJCHHX-MRXNPFEDSA-N 2 1 369.510 -1.081 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549760 483789501 /nfs/dbraw/zinc/78/95/01/483789501.db2.gz DJEOBTOMHHQQLB-CVEARBPZSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549760 483789500 /nfs/dbraw/zinc/78/95/00/483789500.db2.gz DJEOBTOMHHQQLB-CVEARBPZSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549761 483788772 /nfs/dbraw/zinc/78/87/72/483788772.db2.gz DJEOBTOMHHQQLB-HOTGVXAUSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549761 483788769 /nfs/dbraw/zinc/78/87/69/483788769.db2.gz DJEOBTOMHHQQLB-HOTGVXAUSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549762 483789575 /nfs/dbraw/zinc/78/95/75/483789575.db2.gz DJEOBTOMHHQQLB-HZPDHXFCSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549762 483789574 /nfs/dbraw/zinc/78/95/74/483789574.db2.gz DJEOBTOMHHQQLB-HZPDHXFCSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549763 483789530 /nfs/dbraw/zinc/78/95/30/483789530.db2.gz DJEOBTOMHHQQLB-JKSUJKDBSA-N 2 1 369.510 -1.082 20 0 FAADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000673549763 483789529 /nfs/dbraw/zinc/78/95/29/483789529.db2.gz DJEOBTOMHHQQLB-JKSUJKDBSA-N 2 1 369.510 -1.082 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677892432 483795076 /nfs/dbraw/zinc/79/50/76/483795076.db2.gz WSPBPSITMQQVFY-DLBZAZTESA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677892432 483795073 /nfs/dbraw/zinc/79/50/73/483795073.db2.gz WSPBPSITMQQVFY-DLBZAZTESA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677892432 483795069 /nfs/dbraw/zinc/79/50/69/483795069.db2.gz WSPBPSITMQQVFY-DLBZAZTESA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677892433 483794853 /nfs/dbraw/zinc/79/48/53/483794853.db2.gz WSPBPSITMQQVFY-IAGOWNOFSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677892433 483794852 /nfs/dbraw/zinc/79/48/52/483794852.db2.gz WSPBPSITMQQVFY-IAGOWNOFSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677892433 483794850 /nfs/dbraw/zinc/79/48/50/483794850.db2.gz WSPBPSITMQQVFY-IAGOWNOFSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677892434 483794823 /nfs/dbraw/zinc/79/48/23/483794823.db2.gz WSPBPSITMQQVFY-IRXDYDNUSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677892434 483794822 /nfs/dbraw/zinc/79/48/22/483794822.db2.gz WSPBPSITMQQVFY-IRXDYDNUSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677892434 483794821 /nfs/dbraw/zinc/79/48/21/483794821.db2.gz WSPBPSITMQQVFY-IRXDYDNUSA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677892435 483794877 /nfs/dbraw/zinc/79/48/77/483794877.db2.gz WSPBPSITMQQVFY-SJORKVTESA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677892435 483794874 /nfs/dbraw/zinc/79/48/74/483794874.db2.gz WSPBPSITMQQVFY-SJORKVTESA-N 2 1 351.495 -1.101 20 0 FAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677892435 483794873 /nfs/dbraw/zinc/79/48/73/483794873.db2.gz WSPBPSITMQQVFY-SJORKVTESA-N 2 1 351.495 -1.101 20 0 FAADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000680834194 483799000 /nfs/dbraw/zinc/79/90/00/483799000.db2.gz CUPGCVRDRQEIGH-DOTOQJQBSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000680834194 483798997 /nfs/dbraw/zinc/79/89/97/483798997.db2.gz CUPGCVRDRQEIGH-DOTOQJQBSA-N 2 1 355.483 -1.241 20 0 FAADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000680834194 483798994 /nfs/dbraw/zinc/79/89/94/483798994.db2.gz CUPGCVRDRQEIGH-DOTOQJQBSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000680834202 483798702 /nfs/dbraw/zinc/79/87/02/483798702.db2.gz CUPGCVRDRQEIGH-NVXWUHKLSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000680834202 483798700 /nfs/dbraw/zinc/79/87/00/483798700.db2.gz CUPGCVRDRQEIGH-NVXWUHKLSA-N 2 1 355.483 -1.241 20 0 FAADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000680834202 483798698 /nfs/dbraw/zinc/79/86/98/483798698.db2.gz CUPGCVRDRQEIGH-NVXWUHKLSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000680834203 483798620 /nfs/dbraw/zinc/79/86/20/483798620.db2.gz CUPGCVRDRQEIGH-RDJZCZTQSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000680834203 483798618 /nfs/dbraw/zinc/79/86/18/483798618.db2.gz CUPGCVRDRQEIGH-RDJZCZTQSA-N 2 1 355.483 -1.241 20 0 FAADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000680834203 483798615 /nfs/dbraw/zinc/79/86/15/483798615.db2.gz CUPGCVRDRQEIGH-RDJZCZTQSA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000680834204 483798673 /nfs/dbraw/zinc/79/86/73/483798673.db2.gz CUPGCVRDRQEIGH-WBVHZDCISA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000680834204 483798672 /nfs/dbraw/zinc/79/86/72/483798672.db2.gz CUPGCVRDRQEIGH-WBVHZDCISA-N 2 1 355.483 -1.241 20 0 FAADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000680834204 483798669 /nfs/dbraw/zinc/79/86/69/483798669.db2.gz CUPGCVRDRQEIGH-WBVHZDCISA-N 2 1 355.483 -1.241 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736855915 598531091 /nfs/dbraw/zinc/53/10/91/598531091.db2.gz GOMKQMDLZSSDNA-GFCCVEGCSA-N 2 1 374.453 -1.141 20 0 FAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736855917 598530918 /nfs/dbraw/zinc/53/09/18/598530918.db2.gz GOMKQMDLZSSDNA-LBPRGKRZSA-N 2 1 374.453 -1.141 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774474618 658527318 /nfs/dbraw/zinc/52/73/18/658527318.db2.gz YMSFGNBHVMVPPA-CABCVRRESA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774474618 658527299 /nfs/dbraw/zinc/52/72/99/658527299.db2.gz YMSFGNBHVMVPPA-CABCVRRESA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774474619 658527827 /nfs/dbraw/zinc/52/78/27/658527827.db2.gz YMSFGNBHVMVPPA-GJZGRUSLSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774474619 658527817 /nfs/dbraw/zinc/52/78/17/658527817.db2.gz YMSFGNBHVMVPPA-GJZGRUSLSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774474620 658527365 /nfs/dbraw/zinc/52/73/65/658527365.db2.gz YMSFGNBHVMVPPA-HUUCEWRRSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774474620 658527355 /nfs/dbraw/zinc/52/73/55/658527355.db2.gz YMSFGNBHVMVPPA-HUUCEWRRSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774474621 658527873 /nfs/dbraw/zinc/52/78/73/658527873.db2.gz YMSFGNBHVMVPPA-LSDHHAIUSA-N 2 1 354.451 -1.196 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774474621 658527868 /nfs/dbraw/zinc/52/78/68/658527868.db2.gz YMSFGNBHVMVPPA-LSDHHAIUSA-N 2 1 354.451 -1.196 20 0 FAADMP C[C@]1(C(N)=O)CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000796580842 658578056 /nfs/dbraw/zinc/57/80/56/658578056.db2.gz MBTQXYFBWYUVQR-HOTGVXAUSA-N 2 1 374.507 -1.204 20 0 FAADMP C[C@]1(C(N)=O)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000796580842 658578050 /nfs/dbraw/zinc/57/80/50/658578050.db2.gz MBTQXYFBWYUVQR-HOTGVXAUSA-N 2 1 374.507 -1.204 20 0 FAADMP C[C@@]1(C(N)=O)CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000796580843 658577767 /nfs/dbraw/zinc/57/77/67/658577767.db2.gz MBTQXYFBWYUVQR-HZPDHXFCSA-N 2 1 374.507 -1.204 20 0 FAADMP C[C@@]1(C(N)=O)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000796580843 658577756 /nfs/dbraw/zinc/57/77/56/658577756.db2.gz MBTQXYFBWYUVQR-HZPDHXFCSA-N 2 1 374.507 -1.204 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1C[N@@H+](C)CCO1 ZINC000804058896 658586538 /nfs/dbraw/zinc/58/65/38/658586538.db2.gz GOXSPWDMJNFWOJ-BYNSBNAKSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1C[N@H+](C)CCO1 ZINC000804058896 658586533 /nfs/dbraw/zinc/58/65/33/658586533.db2.gz GOXSPWDMJNFWOJ-BYNSBNAKSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1C[NH+](C)CCO1 ZINC000804058896 658586527 /nfs/dbraw/zinc/58/65/27/658586527.db2.gz GOXSPWDMJNFWOJ-BYNSBNAKSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[NH+](C)CCO1 ZINC000804058896 658586520 /nfs/dbraw/zinc/58/65/20/658586520.db2.gz GOXSPWDMJNFWOJ-BYNSBNAKSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1C[N@@H+](C)CCO1 ZINC000804058899 658587962 /nfs/dbraw/zinc/58/79/62/658587962.db2.gz GOXSPWDMJNFWOJ-GBJTYRQASA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1C[N@H+](C)CCO1 ZINC000804058899 658587956 /nfs/dbraw/zinc/58/79/56/658587956.db2.gz GOXSPWDMJNFWOJ-GBJTYRQASA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[NH+](C)CCO1 ZINC000804058899 658587948 /nfs/dbraw/zinc/58/79/48/658587948.db2.gz GOXSPWDMJNFWOJ-GBJTYRQASA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[NH+](C)CCO1 ZINC000804058899 658587943 /nfs/dbraw/zinc/58/79/43/658587943.db2.gz GOXSPWDMJNFWOJ-GBJTYRQASA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000804058902 658587791 /nfs/dbraw/zinc/58/77/91/658587791.db2.gz GOXSPWDMJNFWOJ-XQLPTFJDSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1C[N@H+](C)CCO1 ZINC000804058902 658587786 /nfs/dbraw/zinc/58/77/86/658587786.db2.gz GOXSPWDMJNFWOJ-XQLPTFJDSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[NH+](C)CCO1 ZINC000804058902 658587783 /nfs/dbraw/zinc/58/77/83/658587783.db2.gz GOXSPWDMJNFWOJ-XQLPTFJDSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[NH+](C)CCO1 ZINC000804058902 658587779 /nfs/dbraw/zinc/58/77/79/658587779.db2.gz GOXSPWDMJNFWOJ-XQLPTFJDSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000804058903 658588312 /nfs/dbraw/zinc/58/83/12/658588312.db2.gz GOXSPWDMJNFWOJ-YJNKXOJESA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1C[N@H+](C)CCO1 ZINC000804058903 658588307 /nfs/dbraw/zinc/58/83/07/658588307.db2.gz GOXSPWDMJNFWOJ-YJNKXOJESA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH+](C)CCO1 ZINC000804058903 658588298 /nfs/dbraw/zinc/58/82/98/658588298.db2.gz GOXSPWDMJNFWOJ-YJNKXOJESA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH+](C)CCO1 ZINC000804058903 658588291 /nfs/dbraw/zinc/58/82/91/658588291.db2.gz GOXSPWDMJNFWOJ-YJNKXOJESA-N 2 1 354.451 -1.199 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804061061 658587693 /nfs/dbraw/zinc/58/76/93/658587693.db2.gz RSRKVEDAWDHRME-KKUMJFAQSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804061061 658587687 /nfs/dbraw/zinc/58/76/87/658587687.db2.gz RSRKVEDAWDHRME-KKUMJFAQSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804061061 658587682 /nfs/dbraw/zinc/58/76/82/658587682.db2.gz RSRKVEDAWDHRME-KKUMJFAQSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804061062 658587806 /nfs/dbraw/zinc/58/78/06/658587806.db2.gz RSRKVEDAWDHRME-RRFJBIMHSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804061062 658587804 /nfs/dbraw/zinc/58/78/04/658587804.db2.gz RSRKVEDAWDHRME-RRFJBIMHSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804061062 658587798 /nfs/dbraw/zinc/58/77/98/658587798.db2.gz RSRKVEDAWDHRME-RRFJBIMHSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804061063 658588152 /nfs/dbraw/zinc/58/81/52/658588152.db2.gz RSRKVEDAWDHRME-SOUVJXGZSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804061063 658588144 /nfs/dbraw/zinc/58/81/44/658588144.db2.gz RSRKVEDAWDHRME-SOUVJXGZSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804061063 658588138 /nfs/dbraw/zinc/58/81/38/658588138.db2.gz RSRKVEDAWDHRME-SOUVJXGZSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804061064 658588231 /nfs/dbraw/zinc/58/82/31/658588231.db2.gz RSRKVEDAWDHRME-ZNMIVQPWSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804061064 658588225 /nfs/dbraw/zinc/58/82/25/658588225.db2.gz RSRKVEDAWDHRME-ZNMIVQPWSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804061064 658588222 /nfs/dbraw/zinc/58/82/22/658588222.db2.gz RSRKVEDAWDHRME-ZNMIVQPWSA-N 2 1 354.451 -1.197 20 0 FAADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842513987 658668561 /nfs/dbraw/zinc/66/85/61/658668561.db2.gz UWPRTFONEWCTHD-UHFFFAOYSA-N 2 1 354.436 -1.885 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846331198 658689578 /nfs/dbraw/zinc/68/95/78/658689578.db2.gz SAJZBHYFSKZLCX-APIJFGDWSA-N 2 1 354.451 -1.212 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846331201 658689440 /nfs/dbraw/zinc/68/94/40/658689440.db2.gz SAJZBHYFSKZLCX-CBBWQLFWSA-N 2 1 354.451 -1.212 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846331204 658689310 /nfs/dbraw/zinc/68/93/10/658689310.db2.gz SAJZBHYFSKZLCX-KBUPBQIOSA-N 2 1 354.451 -1.212 20 0 FAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846331206 658689544 /nfs/dbraw/zinc/68/95/44/658689544.db2.gz SAJZBHYFSKZLCX-LXTVHRRPSA-N 2 1 354.451 -1.212 20 0 FAADMP C[NH+]1CC[C@H](C(=O)NCCS(=O)(=O)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000848038721 658698203 /nfs/dbraw/zinc/69/82/03/658698203.db2.gz OBMLLLLZSDTFDZ-KBPBESRZSA-N 2 1 374.507 -1.463 20 0 FAADMP C[NH+]1CC[C@H](C(=O)NCCS(=O)(=O)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000848038722 658698107 /nfs/dbraw/zinc/69/81/07/658698107.db2.gz OBMLLLLZSDTFDZ-OKILXGFUSA-N 2 1 374.507 -1.463 20 0 FAADMP C[NH+]1CC[C@H](C(=O)NCCS(=O)(=O)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000848038722 658698105 /nfs/dbraw/zinc/69/81/05/658698105.db2.gz OBMLLLLZSDTFDZ-OKILXGFUSA-N 2 1 374.507 -1.463 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)NCCS(=O)(=O)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000848038722 658698102 /nfs/dbraw/zinc/69/81/02/658698102.db2.gz OBMLLLLZSDTFDZ-OKILXGFUSA-N 2 1 374.507 -1.463 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)NCCS(=O)(=O)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000848038723 658698306 /nfs/dbraw/zinc/69/83/06/658698306.db2.gz OBMLLLLZSDTFDZ-ZIAGYGMSSA-N 2 1 374.507 -1.463 20 0 FAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932322 658702392 /nfs/dbraw/zinc/70/23/92/658702392.db2.gz NMOISPRWIHOMRF-BARDWOONSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932322 658702385 /nfs/dbraw/zinc/70/23/85/658702385.db2.gz NMOISPRWIHOMRF-BARDWOONSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848932322 658702380 /nfs/dbraw/zinc/70/23/80/658702380.db2.gz NMOISPRWIHOMRF-BARDWOONSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932323 658702518 /nfs/dbraw/zinc/70/25/18/658702518.db2.gz NMOISPRWIHOMRF-BYNSBNAKSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932323 658702516 /nfs/dbraw/zinc/70/25/16/658702516.db2.gz NMOISPRWIHOMRF-BYNSBNAKSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848932323 658702514 /nfs/dbraw/zinc/70/25/14/658702514.db2.gz NMOISPRWIHOMRF-BYNSBNAKSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932324 658702545 /nfs/dbraw/zinc/70/25/45/658702545.db2.gz NMOISPRWIHOMRF-LXTVHRRPSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932324 658702541 /nfs/dbraw/zinc/70/25/41/658702541.db2.gz NMOISPRWIHOMRF-LXTVHRRPSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848932324 658702536 /nfs/dbraw/zinc/70/25/36/658702536.db2.gz NMOISPRWIHOMRF-LXTVHRRPSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932325 658702303 /nfs/dbraw/zinc/70/23/03/658702303.db2.gz NMOISPRWIHOMRF-XQLPTFJDSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848932325 658702297 /nfs/dbraw/zinc/70/22/97/658702297.db2.gz NMOISPRWIHOMRF-XQLPTFJDSA-N 2 1 352.435 -1.757 20 0 FAADMP O=C(NC[C@H]1C[NH+]2CCC[C@H]2CO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848932325 658702291 /nfs/dbraw/zinc/70/22/91/658702291.db2.gz NMOISPRWIHOMRF-XQLPTFJDSA-N 2 1 352.435 -1.757 20 0 FAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCS(=O)(=O)N1CCOCC1 ZINC000849074008 658704504 /nfs/dbraw/zinc/70/45/04/658704504.db2.gz WZIWUIZTYWPIMN-UHFFFAOYSA-N 2 1 363.484 -1.515 20 0 FAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNS(=O)(=O)Cc1ccon1 ZINC000849102371 658704333 /nfs/dbraw/zinc/70/43/33/658704333.db2.gz OHPZRZFAENDJEU-UHFFFAOYSA-N 2 1 374.467 -1.070 20 0 FAADMP CC(C)NS(=O)(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849103777 658704111 /nfs/dbraw/zinc/70/41/11/658704111.db2.gz AXDAXWFCINZMAM-UHFFFAOYSA-N 2 1 350.489 -1.345 20 0 FAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000851692339 658712932 /nfs/dbraw/zinc/71/29/32/658712932.db2.gz ZSBRCOPVHNXNMD-ZIAGYGMSSA-N 2 1 354.451 -1.474 20 0 FAADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(N)=O)C1)CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000859272196 658734067 /nfs/dbraw/zinc/73/40/67/658734067.db2.gz OGOHCDZNFXGOOQ-HOTGVXAUSA-N 2 1 372.542 -1.461 20 0 FAADMP C[Si](C)(CC[NH+]1CC[C@](O)(C(N)=O)C1)CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000859272197 658733994 /nfs/dbraw/zinc/73/39/94/658733994.db2.gz OGOHCDZNFXGOOQ-HZPDHXFCSA-N 2 1 372.542 -1.461 20 0 FAADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(N)=O)C1)CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000859272209 658733603 /nfs/dbraw/zinc/73/36/03/658733603.db2.gz OGOHCDZNFXGOOQ-IYBDPMFKSA-N 2 1 372.542 -1.461 20 0 FAADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(N)=O)C1)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000859272209 658733599 /nfs/dbraw/zinc/73/35/99/658733599.db2.gz OGOHCDZNFXGOOQ-IYBDPMFKSA-N 2 1 372.542 -1.461 20 0 FAADMP C[Si](C)(CC[NH+]1CC[C@](O)(C(N)=O)C1)CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000859272209 658733588 /nfs/dbraw/zinc/73/35/88/658733588.db2.gz OGOHCDZNFXGOOQ-IYBDPMFKSA-N 2 1 372.542 -1.461 20 0 FAADMP C[Si](C)(CC[NH+]1C[C@H](O)C[C@H]1C(N)=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000859364626 658735339 /nfs/dbraw/zinc/73/53/39/658735339.db2.gz LBUCDACUWKNVLH-MQYQWHSLSA-N 2 1 372.542 -1.464 20 0 FAADMP COC(=O)CCNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549993 658750771 /nfs/dbraw/zinc/75/07/71/658750771.db2.gz WKBMJNUWAZOJRT-OLZOCXBDSA-N 2 1 354.407 -1.077 20 0 FAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711226 658754645 /nfs/dbraw/zinc/75/46/45/658754645.db2.gz FRRHRSQPRUXHJY-UPJWGTAASA-N 2 1 354.407 -1.125 20 0 FAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711227 658754809 /nfs/dbraw/zinc/75/48/09/658754809.db2.gz FRRHRSQPRUXHJY-XQQFMLRXSA-N 2 1 354.407 -1.125 20 0 FAADMP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000876767928 658770529 /nfs/dbraw/zinc/77/05/29/658770529.db2.gz DXJFOLDTCOABBI-DOTOQJQBSA-N 2 1 356.467 -1.486 20 0 FAADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000876767935 658770334 /nfs/dbraw/zinc/77/03/34/658770334.db2.gz DXJFOLDTCOABBI-NVXWUHKLSA-N 2 1 356.467 -1.486 20 0 FAADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000876767938 658770371 /nfs/dbraw/zinc/77/03/71/658770371.db2.gz DXJFOLDTCOABBI-RDJZCZTQSA-N 2 1 356.467 -1.486 20 0 FAADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000876767941 658770483 /nfs/dbraw/zinc/77/04/83/658770483.db2.gz DXJFOLDTCOABBI-WBVHZDCISA-N 2 1 356.467 -1.486 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884558656 658781585 /nfs/dbraw/zinc/78/15/85/658781585.db2.gz ANSVOUSZOSEWFK-AWEZNQCLSA-N 2 1 353.467 -1.003 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884558657 658781364 /nfs/dbraw/zinc/78/13/64/658781364.db2.gz ANSVOUSZOSEWFK-CQSZACIVSA-N 2 1 353.467 -1.003 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884558734 658781419 /nfs/dbraw/zinc/78/14/19/658781419.db2.gz CRSAVGJPGSFJJD-SUMWQHHRSA-N 2 1 351.451 -1.665 20 0 FAADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884559200 658781160 /nfs/dbraw/zinc/78/11/60/658781160.db2.gz OURAUNQMERFPFB-CQSZACIVSA-N 2 1 353.467 -1.133 20 0 FAADMP CCC1([NH3+])CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000884559376 658781478 /nfs/dbraw/zinc/78/14/78/658781478.db2.gz SRSYHKVDKCKWAN-UHFFFAOYSA-N 2 1 353.467 -1.003 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884559453 658781445 /nfs/dbraw/zinc/78/14/45/658781445.db2.gz VKZOSBFGAUGJTL-KBPBESRZSA-N 2 1 351.451 -1.380 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884559454 658781277 /nfs/dbraw/zinc/78/12/77/658781277.db2.gz VKZOSBFGAUGJTL-KGLIPLIRSA-N 2 1 351.451 -1.380 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884559455 658781654 /nfs/dbraw/zinc/78/16/54/658781654.db2.gz VKZOSBFGAUGJTL-UONOGXRCSA-N 2 1 351.451 -1.380 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884559456 658782247 /nfs/dbraw/zinc/78/22/47/658782247.db2.gz VKZOSBFGAUGJTL-ZIAGYGMSSA-N 2 1 351.451 -1.380 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884563161 658782301 /nfs/dbraw/zinc/78/23/01/658782301.db2.gz XXUXDVBCJNAXRA-AWEZNQCLSA-N 2 1 356.467 -1.044 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884563162 658782199 /nfs/dbraw/zinc/78/21/99/658782199.db2.gz XXUXDVBCJNAXRA-CQSZACIVSA-N 2 1 356.467 -1.044 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884600523 658782333 /nfs/dbraw/zinc/78/23/33/658782333.db2.gz GMOIOFQJELUQQL-CQSZACIVSA-N 2 1 353.467 -1.087 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884601110 658782170 /nfs/dbraw/zinc/78/21/70/658782170.db2.gz BHBSGCSIIRXSMC-KGLIPLIRSA-N 2 1 353.467 -1.005 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884601111 658782403 /nfs/dbraw/zinc/78/24/03/658782403.db2.gz BHBSGCSIIRXSMC-ZIAGYGMSSA-N 2 1 353.467 -1.005 20 0 FAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000884601316 658782539 /nfs/dbraw/zinc/78/25/39/658782539.db2.gz HNLQJXHNJIIIBT-HZSPNIEDSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000884601317 658782271 /nfs/dbraw/zinc/78/22/71/658782271.db2.gz HNLQJXHNJIIIBT-MCIONIFRSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000884601318 658782488 /nfs/dbraw/zinc/78/24/88/658782488.db2.gz HNLQJXHNJIIIBT-MGPQQGTHSA-N 2 1 353.467 -1.007 20 0 FAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000884601319 658782158 /nfs/dbraw/zinc/78/21/58/658782158.db2.gz HNLQJXHNJIIIBT-RDBSUJKOSA-N 2 1 353.467 -1.007 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601833 658782436 /nfs/dbraw/zinc/78/24/36/658782436.db2.gz WTSGMPIMWCARAF-IHRRRGAJSA-N 2 1 351.451 -1.382 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601834 658782458 /nfs/dbraw/zinc/78/24/58/658782458.db2.gz WTSGMPIMWCARAF-MELADBBJSA-N 2 1 351.451 -1.382 20 0 FAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884610031 658782226 /nfs/dbraw/zinc/78/22/26/658782226.db2.gz BKJZJHIYWIPBTF-KBPBESRZSA-N 2 1 351.451 -1.334 20 0 FAADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884675884 658782211 /nfs/dbraw/zinc/78/22/11/658782211.db2.gz UJJZGLZUGGYJFW-HNNXBMFYSA-N 2 1 355.483 -1.375 20 0 FAADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884675884 658782209 /nfs/dbraw/zinc/78/22/09/658782209.db2.gz UJJZGLZUGGYJFW-HNNXBMFYSA-N 2 1 355.483 -1.375 20 0 FAADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884675885 658782379 /nfs/dbraw/zinc/78/23/79/658782379.db2.gz UJJZGLZUGGYJFW-OAHLLOKOSA-N 2 1 355.483 -1.375 20 0 FAADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884675885 658782374 /nfs/dbraw/zinc/78/23/74/658782374.db2.gz UJJZGLZUGGYJFW-OAHLLOKOSA-N 2 1 355.483 -1.375 20 0 FAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678705 658783447 /nfs/dbraw/zinc/78/34/47/658783447.db2.gz KENMMEDCLZRQSF-CABCVRRESA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678705 658783445 /nfs/dbraw/zinc/78/34/45/658783445.db2.gz KENMMEDCLZRQSF-CABCVRRESA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678706 658783367 /nfs/dbraw/zinc/78/33/67/658783367.db2.gz KENMMEDCLZRQSF-GJZGRUSLSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678706 658783362 /nfs/dbraw/zinc/78/33/62/658783362.db2.gz KENMMEDCLZRQSF-GJZGRUSLSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678707 658783211 /nfs/dbraw/zinc/78/32/11/658783211.db2.gz KENMMEDCLZRQSF-HUUCEWRRSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678707 658783207 /nfs/dbraw/zinc/78/32/07/658783207.db2.gz KENMMEDCLZRQSF-HUUCEWRRSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678708 658783464 /nfs/dbraw/zinc/78/34/64/658783464.db2.gz KENMMEDCLZRQSF-LSDHHAIUSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678708 658783461 /nfs/dbraw/zinc/78/34/61/658783461.db2.gz KENMMEDCLZRQSF-LSDHHAIUSA-N 2 1 353.467 -1.623 20 0 FAADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884688258 658783473 /nfs/dbraw/zinc/78/34/73/658783473.db2.gz XBEGCSWNGHOFRI-HNNXBMFYSA-N 2 1 355.483 -1.375 20 0 FAADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884688258 658783470 /nfs/dbraw/zinc/78/34/70/658783470.db2.gz XBEGCSWNGHOFRI-HNNXBMFYSA-N 2 1 355.483 -1.375 20 0 FAADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884688259 658783279 /nfs/dbraw/zinc/78/32/79/658783279.db2.gz XBEGCSWNGHOFRI-OAHLLOKOSA-N 2 1 355.483 -1.375 20 0 FAADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884688259 658783275 /nfs/dbraw/zinc/78/32/75/658783275.db2.gz XBEGCSWNGHOFRI-OAHLLOKOSA-N 2 1 355.483 -1.375 20 0 FAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884698822 658783335 /nfs/dbraw/zinc/78/33/35/658783335.db2.gz SYGFILNRDLKKSQ-CABCVRRESA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884698822 658783330 /nfs/dbraw/zinc/78/33/30/658783330.db2.gz SYGFILNRDLKKSQ-CABCVRRESA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884698823 658783129 /nfs/dbraw/zinc/78/31/29/658783129.db2.gz SYGFILNRDLKKSQ-GJZGRUSLSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884698823 658783122 /nfs/dbraw/zinc/78/31/22/658783122.db2.gz SYGFILNRDLKKSQ-GJZGRUSLSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884698824 658783080 /nfs/dbraw/zinc/78/30/80/658783080.db2.gz SYGFILNRDLKKSQ-HUUCEWRRSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884698824 658783073 /nfs/dbraw/zinc/78/30/73/658783073.db2.gz SYGFILNRDLKKSQ-HUUCEWRRSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884698825 658783375 /nfs/dbraw/zinc/78/33/75/658783375.db2.gz SYGFILNRDLKKSQ-LSDHHAIUSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884698825 658783372 /nfs/dbraw/zinc/78/33/72/658783372.db2.gz SYGFILNRDLKKSQ-LSDHHAIUSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704230 658783410 /nfs/dbraw/zinc/78/34/10/658783410.db2.gz YCVPMCNKHGVVRK-CABCVRRESA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704230 658783408 /nfs/dbraw/zinc/78/34/08/658783408.db2.gz YCVPMCNKHGVVRK-CABCVRRESA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704231 658783297 /nfs/dbraw/zinc/78/32/97/658783297.db2.gz YCVPMCNKHGVVRK-GJZGRUSLSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704231 658783294 /nfs/dbraw/zinc/78/32/94/658783294.db2.gz YCVPMCNKHGVVRK-GJZGRUSLSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704232 658783112 /nfs/dbraw/zinc/78/31/12/658783112.db2.gz YCVPMCNKHGVVRK-HUUCEWRRSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704232 658783105 /nfs/dbraw/zinc/78/31/05/658783105.db2.gz YCVPMCNKHGVVRK-HUUCEWRRSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704233 658783346 /nfs/dbraw/zinc/78/33/46/658783346.db2.gz YCVPMCNKHGVVRK-LSDHHAIUSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704233 658783342 /nfs/dbraw/zinc/78/33/42/658783342.db2.gz YCVPMCNKHGVVRK-LSDHHAIUSA-N 2 1 355.483 -1.247 20 0 FAADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884708553 658783427 /nfs/dbraw/zinc/78/34/27/658783427.db2.gz DIUXFFVXIKUVSV-AWEZNQCLSA-N 2 1 355.483 -1.247 20 0 FAADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884708553 658783423 /nfs/dbraw/zinc/78/34/23/658783423.db2.gz DIUXFFVXIKUVSV-AWEZNQCLSA-N 2 1 355.483 -1.247 20 0 FAADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884708554 658783456 /nfs/dbraw/zinc/78/34/56/658783456.db2.gz DIUXFFVXIKUVSV-CQSZACIVSA-N 2 1 355.483 -1.247 20 0 FAADMP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884708554 658783455 /nfs/dbraw/zinc/78/34/55/658783455.db2.gz DIUXFFVXIKUVSV-CQSZACIVSA-N 2 1 355.483 -1.247 20 0 FAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884796141 658783195 /nfs/dbraw/zinc/78/31/95/658783195.db2.gz CKQZQGYBGACNLQ-CABCVRRESA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884796141 658783192 /nfs/dbraw/zinc/78/31/92/658783192.db2.gz CKQZQGYBGACNLQ-CABCVRRESA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884796143 658783438 /nfs/dbraw/zinc/78/34/38/658783438.db2.gz CKQZQGYBGACNLQ-GJZGRUSLSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884796143 658783435 /nfs/dbraw/zinc/78/34/35/658783435.db2.gz CKQZQGYBGACNLQ-GJZGRUSLSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884796145 658783262 /nfs/dbraw/zinc/78/32/62/658783262.db2.gz CKQZQGYBGACNLQ-HUUCEWRRSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884796145 658783259 /nfs/dbraw/zinc/78/32/59/658783259.db2.gz CKQZQGYBGACNLQ-HUUCEWRRSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884796147 658783884 /nfs/dbraw/zinc/78/38/84/658783884.db2.gz CKQZQGYBGACNLQ-LSDHHAIUSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884796147 658783880 /nfs/dbraw/zinc/78/38/80/658783880.db2.gz CKQZQGYBGACNLQ-LSDHHAIUSA-N 2 1 355.483 -1.377 20 0 FAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCN2)C[C@H]1C[NH+](C)C ZINC000884816660 658784187 /nfs/dbraw/zinc/78/41/87/658784187.db2.gz ZPBMYKZSFNDDJW-KFWWJZLASA-N 2 1 355.483 -1.711 20 0 FAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCN2)C[C@H]1C[NH+](C)C ZINC000884816661 658784002 /nfs/dbraw/zinc/78/40/02/658784002.db2.gz ZPBMYKZSFNDDJW-RBSFLKMASA-N 2 1 355.483 -1.711 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885201132 658785199 /nfs/dbraw/zinc/78/51/99/658785199.db2.gz RJEQGGMLWGEJRB-CYBMUJFWSA-N 2 1 353.467 -1.005 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885201133 658784679 /nfs/dbraw/zinc/78/46/79/658784679.db2.gz RJEQGGMLWGEJRB-ZDUSSCGKSA-N 2 1 353.467 -1.005 20 0 FAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223211 658785255 /nfs/dbraw/zinc/78/52/55/658785255.db2.gz AIPKAKYBPIAPJB-CABCVRRESA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223211 658785249 /nfs/dbraw/zinc/78/52/49/658785249.db2.gz AIPKAKYBPIAPJB-CABCVRRESA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223212 658785470 /nfs/dbraw/zinc/78/54/70/658785470.db2.gz AIPKAKYBPIAPJB-GJZGRUSLSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223212 658785464 /nfs/dbraw/zinc/78/54/64/658785464.db2.gz AIPKAKYBPIAPJB-GJZGRUSLSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223213 658784754 /nfs/dbraw/zinc/78/47/54/658784754.db2.gz AIPKAKYBPIAPJB-HUUCEWRRSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223213 658784748 /nfs/dbraw/zinc/78/47/48/658784748.db2.gz AIPKAKYBPIAPJB-HUUCEWRRSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223214 658785081 /nfs/dbraw/zinc/78/50/81/658785081.db2.gz AIPKAKYBPIAPJB-LSDHHAIUSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223214 658785073 /nfs/dbraw/zinc/78/50/73/658785073.db2.gz AIPKAKYBPIAPJB-LSDHHAIUSA-N 2 1 355.483 -1.295 20 0 FAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000885223267 658784548 /nfs/dbraw/zinc/78/45/48/658784548.db2.gz BJBQCABVYXMKQM-CABCVRRESA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000885223267 658784544 /nfs/dbraw/zinc/78/45/44/658784544.db2.gz BJBQCABVYXMKQM-CABCVRRESA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000885223269 658785109 /nfs/dbraw/zinc/78/51/09/658785109.db2.gz BJBQCABVYXMKQM-GJZGRUSLSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000885223269 658785100 /nfs/dbraw/zinc/78/51/00/658785100.db2.gz BJBQCABVYXMKQM-GJZGRUSLSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000885223271 658785364 /nfs/dbraw/zinc/78/53/64/658785364.db2.gz BJBQCABVYXMKQM-HUUCEWRRSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000885223271 658785359 /nfs/dbraw/zinc/78/53/59/658785359.db2.gz BJBQCABVYXMKQM-HUUCEWRRSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000885223273 658784659 /nfs/dbraw/zinc/78/46/59/658784659.db2.gz BJBQCABVYXMKQM-LSDHHAIUSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000885223273 658784654 /nfs/dbraw/zinc/78/46/54/658784654.db2.gz BJBQCABVYXMKQM-LSDHHAIUSA-N 2 1 353.467 -1.541 20 0 FAADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224424 658784825 /nfs/dbraw/zinc/78/48/25/658784825.db2.gz MXAXUXILWQANDI-HNNXBMFYSA-N 2 1 355.483 -1.423 20 0 FAADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224424 658784818 /nfs/dbraw/zinc/78/48/18/658784818.db2.gz MXAXUXILWQANDI-HNNXBMFYSA-N 2 1 355.483 -1.423 20 0 FAADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224425 658785379 /nfs/dbraw/zinc/78/53/79/658785379.db2.gz MXAXUXILWQANDI-OAHLLOKOSA-N 2 1 355.483 -1.423 20 0 FAADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224425 658785373 /nfs/dbraw/zinc/78/53/73/658785373.db2.gz MXAXUXILWQANDI-OAHLLOKOSA-N 2 1 355.483 -1.423 20 0 FAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224610 658785231 /nfs/dbraw/zinc/78/52/31/658785231.db2.gz QAGQITNJDQQALN-CABCVRRESA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224610 658785222 /nfs/dbraw/zinc/78/52/22/658785222.db2.gz QAGQITNJDQQALN-CABCVRRESA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224611 658784612 /nfs/dbraw/zinc/78/46/12/658784612.db2.gz QAGQITNJDQQALN-GJZGRUSLSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224611 658784608 /nfs/dbraw/zinc/78/46/08/658784608.db2.gz QAGQITNJDQQALN-GJZGRUSLSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224612 658784891 /nfs/dbraw/zinc/78/48/91/658784891.db2.gz QAGQITNJDQQALN-HUUCEWRRSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224612 658784886 /nfs/dbraw/zinc/78/48/86/658784886.db2.gz QAGQITNJDQQALN-HUUCEWRRSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224613 658785421 /nfs/dbraw/zinc/78/54/21/658785421.db2.gz QAGQITNJDQQALN-LSDHHAIUSA-N 2 1 355.483 -1.295 20 0 FAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224613 658785416 /nfs/dbraw/zinc/78/54/16/658785416.db2.gz QAGQITNJDQQALN-LSDHHAIUSA-N 2 1 355.483 -1.295 20 0 FAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224640 658784727 /nfs/dbraw/zinc/78/47/27/658784727.db2.gz QOLNGTNUZZITPA-HNNXBMFYSA-N 2 1 355.483 -1.294 20 0 FAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224640 658784725 /nfs/dbraw/zinc/78/47/25/658784725.db2.gz QOLNGTNUZZITPA-HNNXBMFYSA-N 2 1 355.483 -1.294 20 0 FAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224642 658785344 /nfs/dbraw/zinc/78/53/44/658785344.db2.gz QOLNGTNUZZITPA-OAHLLOKOSA-N 2 1 355.483 -1.294 20 0 FAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224642 658785336 /nfs/dbraw/zinc/78/53/36/658785336.db2.gz QOLNGTNUZZITPA-OAHLLOKOSA-N 2 1 355.483 -1.294 20 0 FAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224865 658785279 /nfs/dbraw/zinc/78/52/79/658785279.db2.gz UKHSMHSQMVMLAR-HNNXBMFYSA-N 2 1 355.483 -1.294 20 0 FAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224865 658785272 /nfs/dbraw/zinc/78/52/72/658785272.db2.gz UKHSMHSQMVMLAR-HNNXBMFYSA-N 2 1 355.483 -1.294 20 0 FAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885224866 658785445 /nfs/dbraw/zinc/78/54/45/658785445.db2.gz UKHSMHSQMVMLAR-OAHLLOKOSA-N 2 1 355.483 -1.294 20 0 FAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885224866 658785439 /nfs/dbraw/zinc/78/54/39/658785439.db2.gz UKHSMHSQMVMLAR-OAHLLOKOSA-N 2 1 355.483 -1.294 20 0 FAADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC000887306391 658788969 /nfs/dbraw/zinc/78/89/69/658788969.db2.gz RABZTYOAMPWKAC-AWEZNQCLSA-N 2 1 357.451 -1.099 20 0 FAADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC000887306392 658788939 /nfs/dbraw/zinc/78/89/39/658788939.db2.gz RABZTYOAMPWKAC-CQSZACIVSA-N 2 1 357.451 -1.099 20 0 FAADMP C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)C[C@H]1C[NH+](C)C ZINC000891970843 657267064 /nfs/dbraw/zinc/26/70/64/657267064.db2.gz POMPXNKZHLYXRI-HUUCEWRRSA-N 2 1 354.499 -1.201 20 0 FAADMP [NH3+]CC12CCC(CC1)N2C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892456070 657456789 /nfs/dbraw/zinc/45/67/89/657456789.db2.gz VIJFMWIQAGFWMO-UHFFFAOYSA-N 2 1 357.480 -1.019 20 0 FAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)C2 ZINC000903491046 659328955 /nfs/dbraw/zinc/32/89/55/659328955.db2.gz SJGXLCNFFVKDRT-VBQJREDUSA-N 2 1 352.435 -1.111 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903724476 659330959 /nfs/dbraw/zinc/33/09/59/659330959.db2.gz NXYXSEZOFDOMRU-CVEARBPZSA-N 2 1 374.507 -1.050 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903724478 659331152 /nfs/dbraw/zinc/33/11/52/659331152.db2.gz NXYXSEZOFDOMRU-HOTGVXAUSA-N 2 1 374.507 -1.050 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903724480 659331281 /nfs/dbraw/zinc/33/12/81/659331281.db2.gz NXYXSEZOFDOMRU-HZPDHXFCSA-N 2 1 374.507 -1.050 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903724483 659331373 /nfs/dbraw/zinc/33/13/73/659331373.db2.gz NXYXSEZOFDOMRU-JKSUJKDBSA-N 2 1 374.507 -1.050 20 0 FAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C(F)(F)F ZINC000903772209 659331202 /nfs/dbraw/zinc/33/12/02/659331202.db2.gz WUMNKCYHOUCOCZ-LNFKQOIKSA-N 2 1 350.341 -1.388 20 0 FAADMP CN(CCC(N)=O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903778295 659331254 /nfs/dbraw/zinc/33/12/54/659331254.db2.gz LBESEKIARUGANR-OKILXGFUSA-N 2 1 351.451 -1.253 20 0 FAADMP CN(CCC(N)=O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903778295 659331252 /nfs/dbraw/zinc/33/12/52/659331252.db2.gz LBESEKIARUGANR-OKILXGFUSA-N 2 1 351.451 -1.253 20 0 FAADMP CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000903786910 659331564 /nfs/dbraw/zinc/33/15/64/659331564.db2.gz QGKNHXICFYKYQU-UHFFFAOYSA-N 2 1 353.389 -1.040 20 0 FAADMP CN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1(C[NH3+])CCOCC1 ZINC000904968926 657970651 /nfs/dbraw/zinc/97/06/51/657970651.db2.gz FKXCRCKYXLZNMG-UHFFFAOYSA-N 2 1 356.467 -1.132 20 0 FAADMP CN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1(C[NH3+])CCOCC1 ZINC000904968926 657970646 /nfs/dbraw/zinc/97/06/46/657970646.db2.gz FKXCRCKYXLZNMG-UHFFFAOYSA-N 2 1 356.467 -1.132 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000904970161 657970600 /nfs/dbraw/zinc/97/06/00/657970600.db2.gz KZGIAEBDIKTKSN-OKILXGFUSA-N 2 1 356.467 -1.134 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000904970161 657970596 /nfs/dbraw/zinc/97/05/96/657970596.db2.gz KZGIAEBDIKTKSN-OKILXGFUSA-N 2 1 356.467 -1.134 20 0 FAADMP CN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1(C[NH3+])CCOCC1 ZINC000904972457 657970791 /nfs/dbraw/zinc/97/07/91/657970791.db2.gz UHYOROJEVPBYIA-UHFFFAOYSA-N 2 1 356.467 -1.132 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986104 657972476 /nfs/dbraw/zinc/97/24/76/657972476.db2.gz GJUNDXVNZLWECE-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986105 657972645 /nfs/dbraw/zinc/97/26/45/657972645.db2.gz GJUNDXVNZLWECE-GJZGRUSLSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986106 657972511 /nfs/dbraw/zinc/97/25/11/657972511.db2.gz GJUNDXVNZLWECE-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986107 657972370 /nfs/dbraw/zinc/97/23/70/657972370.db2.gz GJUNDXVNZLWECE-LSDHHAIUSA-N 2 1 356.467 -1.262 20 0 FAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904987216 657972530 /nfs/dbraw/zinc/97/25/30/657972530.db2.gz NPAJQPHZKKBUFB-CABCVRRESA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904987217 657972409 /nfs/dbraw/zinc/97/24/09/657972409.db2.gz NPAJQPHZKKBUFB-GJZGRUSLSA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904987218 657972689 /nfs/dbraw/zinc/97/26/89/657972689.db2.gz NPAJQPHZKKBUFB-HUUCEWRRSA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904987219 657972436 /nfs/dbraw/zinc/97/24/36/657972436.db2.gz NPAJQPHZKKBUFB-LSDHHAIUSA-N 2 1 353.467 -1.935 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000904991699 657972556 /nfs/dbraw/zinc/97/25/56/657972556.db2.gz XHWZSYCQPZIXKR-AJNGGQMLSA-N 2 1 354.451 -1.381 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000904991700 657972522 /nfs/dbraw/zinc/97/25/22/657972522.db2.gz XHWZSYCQPZIXKR-XGUBFFRZSA-N 2 1 354.451 -1.381 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000904991701 657972383 /nfs/dbraw/zinc/97/23/83/657972383.db2.gz XHWZSYCQPZIXKR-XQLPTFJDSA-N 2 1 354.451 -1.381 20 0 FAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000904991702 657972468 /nfs/dbraw/zinc/97/24/68/657972468.db2.gz XHWZSYCQPZIXKR-YJNKXOJESA-N 2 1 354.451 -1.381 20 0 FAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000905014435 657972599 /nfs/dbraw/zinc/97/25/99/657972599.db2.gz JMFTYNSCGXGVQO-HNNXBMFYSA-N 2 1 356.467 -1.262 20 0 FAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000905014436 657972707 /nfs/dbraw/zinc/97/27/07/657972707.db2.gz JMFTYNSCGXGVQO-OAHLLOKOSA-N 2 1 356.467 -1.262 20 0 FAADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345073 657975428 /nfs/dbraw/zinc/97/54/28/657975428.db2.gz LJWJKRILARQHSN-UHFFFAOYSA-N 2 1 366.509 -1.765 20 0 FAADMP C[NH+](C)CCCS(=O)(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345153 657975694 /nfs/dbraw/zinc/97/56/94/657975694.db2.gz MFBJYBSOYMNNIF-UHFFFAOYSA-N 2 1 354.498 -1.813 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907606978 657983172 /nfs/dbraw/zinc/98/31/72/657983172.db2.gz VKVHCTSMIWNWJJ-MGBSGCIJSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907606978 657983166 /nfs/dbraw/zinc/98/31/66/657983166.db2.gz VKVHCTSMIWNWJJ-MGBSGCIJSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907606978 657983162 /nfs/dbraw/zinc/98/31/62/657983162.db2.gz VKVHCTSMIWNWJJ-MGBSGCIJSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907606979 657983475 /nfs/dbraw/zinc/98/34/75/657983475.db2.gz VKVHCTSMIWNWJJ-PYTWLRIVSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907606979 657983473 /nfs/dbraw/zinc/98/34/73/657983473.db2.gz VKVHCTSMIWNWJJ-PYTWLRIVSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907606979 657983471 /nfs/dbraw/zinc/98/34/71/657983471.db2.gz VKVHCTSMIWNWJJ-PYTWLRIVSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907606980 657983394 /nfs/dbraw/zinc/98/33/94/657983394.db2.gz VKVHCTSMIWNWJJ-RMHZUWNSSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907606980 657983390 /nfs/dbraw/zinc/98/33/90/657983390.db2.gz VKVHCTSMIWNWJJ-RMHZUWNSSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907606980 657983385 /nfs/dbraw/zinc/98/33/85/657983385.db2.gz VKVHCTSMIWNWJJ-RMHZUWNSSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907606981 657982894 /nfs/dbraw/zinc/98/28/94/657982894.db2.gz VKVHCTSMIWNWJJ-UWWPHRKUSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907606981 657982889 /nfs/dbraw/zinc/98/28/89/657982889.db2.gz VKVHCTSMIWNWJJ-UWWPHRKUSA-N 2 1 356.467 -1.529 20 0 FAADMP CN(CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907606981 657982886 /nfs/dbraw/zinc/98/28/86/657982886.db2.gz VKVHCTSMIWNWJJ-UWWPHRKUSA-N 2 1 356.467 -1.529 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1=O ZINC000908240083 657984975 /nfs/dbraw/zinc/98/49/75/657984975.db2.gz WJAXIJKVRAZUEL-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1=O ZINC000908240083 657984968 /nfs/dbraw/zinc/98/49/68/657984968.db2.gz WJAXIJKVRAZUEL-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1=O ZINC000908240083 657984965 /nfs/dbraw/zinc/98/49/65/657984965.db2.gz WJAXIJKVRAZUEL-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1=O ZINC000908240086 657985602 /nfs/dbraw/zinc/98/56/02/657985602.db2.gz WJAXIJKVRAZUEL-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1=O ZINC000908240086 657985594 /nfs/dbraw/zinc/98/55/94/657985594.db2.gz WJAXIJKVRAZUEL-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1=O ZINC000908240086 657985589 /nfs/dbraw/zinc/98/55/89/657985589.db2.gz WJAXIJKVRAZUEL-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1=O ZINC000908240087 657985278 /nfs/dbraw/zinc/98/52/78/657985278.db2.gz WJAXIJKVRAZUEL-JKIFEVAISA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1=O ZINC000908240087 657985272 /nfs/dbraw/zinc/98/52/72/657985272.db2.gz WJAXIJKVRAZUEL-JKIFEVAISA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1=O ZINC000908240087 657985267 /nfs/dbraw/zinc/98/52/67/657985267.db2.gz WJAXIJKVRAZUEL-JKIFEVAISA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1=O ZINC000908240088 657985450 /nfs/dbraw/zinc/98/54/50/657985450.db2.gz WJAXIJKVRAZUEL-KEYYUXOJSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1=O ZINC000908240088 657985445 /nfs/dbraw/zinc/98/54/45/657985445.db2.gz WJAXIJKVRAZUEL-KEYYUXOJSA-N 2 1 356.467 -1.263 20 0 FAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1=O ZINC000908240088 657985444 /nfs/dbraw/zinc/98/54/44/657985444.db2.gz WJAXIJKVRAZUEL-KEYYUXOJSA-N 2 1 356.467 -1.263 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000910731553 657992876 /nfs/dbraw/zinc/99/28/76/657992876.db2.gz MHRDNXQWSTUDDK-UHFFFAOYSA-N 2 1 353.467 -1.229 20 0 FAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000910731553 657992871 /nfs/dbraw/zinc/99/28/71/657992871.db2.gz MHRDNXQWSTUDDK-UHFFFAOYSA-N 2 1 353.467 -1.229 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000910949492 657998413 /nfs/dbraw/zinc/99/84/13/657998413.db2.gz PXTMVHBSXQNMSG-CYBMUJFWSA-N 2 1 353.467 -1.149 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000910949493 657998801 /nfs/dbraw/zinc/99/88/01/657998801.db2.gz PXTMVHBSXQNMSG-ZDUSSCGKSA-N 2 1 353.467 -1.149 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000910950315 657998288 /nfs/dbraw/zinc/99/82/88/657998288.db2.gz YYHVVEPYVSSWKU-CYBMUJFWSA-N 2 1 353.467 -1.231 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000910950316 657998615 /nfs/dbraw/zinc/99/86/15/657998615.db2.gz YYHVVEPYVSSWKU-ZDUSSCGKSA-N 2 1 353.467 -1.231 20 0 FAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCCO1 ZINC000910985236 657998468 /nfs/dbraw/zinc/99/84/68/657998468.db2.gz UVOXLNKTFJUECR-HNNXBMFYSA-N 2 1 355.483 -1.375 20 0 FAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCCO1 ZINC000910985237 657998965 /nfs/dbraw/zinc/99/89/65/657998965.db2.gz UVOXLNKTFJUECR-OAHLLOKOSA-N 2 1 355.483 -1.375 20 0 FAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000910990348 657998266 /nfs/dbraw/zinc/99/82/66/657998266.db2.gz BVWJSQPJDWCWFB-CABCVRRESA-N 2 1 356.467 -1.094 20 0 FAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000910990355 657998666 /nfs/dbraw/zinc/99/86/66/657998666.db2.gz BVWJSQPJDWCWFB-GJZGRUSLSA-N 2 1 356.467 -1.094 20 0 FAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000910990357 657998731 /nfs/dbraw/zinc/99/87/31/657998731.db2.gz BVWJSQPJDWCWFB-HUUCEWRRSA-N 2 1 356.467 -1.094 20 0 FAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000910990360 657998590 /nfs/dbraw/zinc/99/85/90/657998590.db2.gz BVWJSQPJDWCWFB-LSDHHAIUSA-N 2 1 356.467 -1.094 20 0 FAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000910993643 657998651 /nfs/dbraw/zinc/99/86/51/657998651.db2.gz UCWCGDOQAKTCKC-HNNXBMFYSA-N 2 1 355.483 -1.519 20 0 FAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000910993644 657999967 /nfs/dbraw/zinc/99/99/67/657999967.db2.gz UCWCGDOQAKTCKC-OAHLLOKOSA-N 2 1 355.483 -1.519 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911030974 657999641 /nfs/dbraw/zinc/99/96/41/657999641.db2.gz NNCDAOWOOOMMIU-GMTAPVOTSA-N 2 1 351.373 -1.304 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911030975 657999987 /nfs/dbraw/zinc/99/99/87/657999987.db2.gz NNCDAOWOOOMMIU-HBNTYKKESA-N 2 1 351.373 -1.304 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000911053469 658000012 /nfs/dbraw/zinc/00/00/12/658000012.db2.gz PQMJSOSOYGGJQH-CYBMUJFWSA-N 2 1 352.435 -1.002 20 0 FAADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000911053470 658000104 /nfs/dbraw/zinc/00/01/04/658000104.db2.gz PQMJSOSOYGGJQH-ZDUSSCGKSA-N 2 1 352.435 -1.002 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1(C)C ZINC000911096270 658000700 /nfs/dbraw/zinc/00/07/00/658000700.db2.gz JBHSBMNHFKLAKH-UHFFFAOYSA-N 2 1 354.499 -1.850 20 0 FAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000911097606 658000928 /nfs/dbraw/zinc/00/09/28/658000928.db2.gz RSOWUFLARHUITF-AWEZNQCLSA-N 2 1 355.483 -1.425 20 0 FAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000911097607 658001609 /nfs/dbraw/zinc/00/16/09/658001609.db2.gz RSOWUFLARHUITF-CQSZACIVSA-N 2 1 355.483 -1.425 20 0 FAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000911136733 658001467 /nfs/dbraw/zinc/00/14/67/658001467.db2.gz BVXOTTQNZSDLGB-CABCVRRESA-N 2 1 356.467 -1.092 20 0 FAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000911136741 658000624 /nfs/dbraw/zinc/00/06/24/658000624.db2.gz BVXOTTQNZSDLGB-GJZGRUSLSA-N 2 1 356.467 -1.092 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000911136744 658001439 /nfs/dbraw/zinc/00/14/39/658001439.db2.gz BVXOTTQNZSDLGB-HUUCEWRRSA-N 2 1 356.467 -1.092 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000911136745 658001055 /nfs/dbraw/zinc/00/10/55/658001055.db2.gz BVXOTTQNZSDLGB-LSDHHAIUSA-N 2 1 356.467 -1.092 20 0 FAADMP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCOCC1 ZINC000911137358 658002573 /nfs/dbraw/zinc/00/25/73/658002573.db2.gz FNRLPLPKQYQYJY-AWEZNQCLSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCOCC1 ZINC000911137359 658002293 /nfs/dbraw/zinc/00/22/93/658002293.db2.gz FNRLPLPKQYQYJY-CQSZACIVSA-N 2 1 355.483 -1.390 20 0 FAADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149135 658001992 /nfs/dbraw/zinc/00/19/92/658001992.db2.gz DNSRDJPKWSTQNE-ZIAGYGMSSA-N 2 1 353.467 -1.372 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911149285 658002732 /nfs/dbraw/zinc/00/27/32/658002732.db2.gz VROLNBQAIZEQPB-ILXRZTDVSA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911149286 658002936 /nfs/dbraw/zinc/00/29/36/658002936.db2.gz VROLNBQAIZEQPB-KFWWJZLASA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911149287 658002388 /nfs/dbraw/zinc/00/23/88/658002388.db2.gz VROLNBQAIZEQPB-QLFBSQMISA-N 2 1 354.451 -1.197 20 0 FAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911149288 658002626 /nfs/dbraw/zinc/00/26/26/658002626.db2.gz VROLNBQAIZEQPB-RBSFLKMASA-N 2 1 354.451 -1.197 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911149776 658001967 /nfs/dbraw/zinc/00/19/67/658001967.db2.gz LQKPTZQUABTGEZ-UONOGXRCSA-N 2 1 351.451 -1.665 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911149829 658002554 /nfs/dbraw/zinc/00/25/54/658002554.db2.gz NTUYYRGTPLFBJU-CXAGYDPISA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911149830 658002687 /nfs/dbraw/zinc/00/26/87/658002687.db2.gz NTUYYRGTPLFBJU-DYVFJYSZSA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911149831 658002181 /nfs/dbraw/zinc/00/21/81/658002181.db2.gz NTUYYRGTPLFBJU-GUYCJALGSA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911149832 658002424 /nfs/dbraw/zinc/00/24/24/658002424.db2.gz NTUYYRGTPLFBJU-SUMWQHHRSA-N 2 1 351.451 -1.394 20 0 FAADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149859 658002806 /nfs/dbraw/zinc/00/28/06/658002806.db2.gz OURAUNQMERFPFB-AWEZNQCLSA-N 2 1 353.467 -1.133 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000911150046 658002970 /nfs/dbraw/zinc/00/29/70/658002970.db2.gz RUCZWNBDTIQMNK-KBPBESRZSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000911150047 658002368 /nfs/dbraw/zinc/00/23/68/658002368.db2.gz RUCZWNBDTIQMNK-KGLIPLIRSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000911150048 658002662 /nfs/dbraw/zinc/00/26/62/658002662.db2.gz RUCZWNBDTIQMNK-UONOGXRCSA-N 2 1 353.467 -1.290 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000911150049 658002162 /nfs/dbraw/zinc/00/21/62/658002162.db2.gz RUCZWNBDTIQMNK-ZIAGYGMSSA-N 2 1 353.467 -1.290 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911150302 658002105 /nfs/dbraw/zinc/00/21/05/658002105.db2.gz XGZZFXBHZYMLJR-AWEZNQCLSA-N 2 1 353.467 -1.085 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911150303 658002713 /nfs/dbraw/zinc/00/27/13/658002713.db2.gz XGZZFXBHZYMLJR-CQSZACIVSA-N 2 1 353.467 -1.085 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911150333 658002349 /nfs/dbraw/zinc/00/23/49/658002349.db2.gz XXGXRVTUORCCDR-KRWDZBQOSA-N 2 1 351.451 -1.379 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911150335 658002871 /nfs/dbraw/zinc/00/28/71/658002871.db2.gz XXGXRVTUORCCDR-QGZVFWFLSA-N 2 1 351.451 -1.379 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC000911150439 658002913 /nfs/dbraw/zinc/00/29/13/658002913.db2.gz YFMJKWJGNBKTAI-ZIAGYGMSSA-N 2 1 353.467 -1.290 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911154779 658002057 /nfs/dbraw/zinc/00/20/57/658002057.db2.gz DTDGMORZTHVKQV-AWEZNQCLSA-N 2 1 356.467 -1.044 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911154780 658002478 /nfs/dbraw/zinc/00/24/78/658002478.db2.gz DTDGMORZTHVKQV-CQSZACIVSA-N 2 1 356.467 -1.044 20 0 FAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911186636 658003307 /nfs/dbraw/zinc/00/33/07/658003307.db2.gz JQAQIYFZHWWDFX-HNNXBMFYSA-N 2 1 355.483 -1.247 20 0 FAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911186638 658003632 /nfs/dbraw/zinc/00/36/32/658003632.db2.gz JQAQIYFZHWWDFX-OAHLLOKOSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000911187117 658003873 /nfs/dbraw/zinc/00/38/73/658003873.db2.gz MMNXDZKJKKWUBT-MCIONIFRSA-N 2 1 353.467 -1.149 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000911187118 658003692 /nfs/dbraw/zinc/00/36/92/658003692.db2.gz MMNXDZKJKKWUBT-MGPQQGTHSA-N 2 1 353.467 -1.149 20 0 FAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000911187373 658003987 /nfs/dbraw/zinc/00/39/87/658003987.db2.gz ONJBIFPYPXIARZ-MCIONIFRSA-N 2 1 353.467 -1.231 20 0 FAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000911187374 658004014 /nfs/dbraw/zinc/00/40/14/658004014.db2.gz ONJBIFPYPXIARZ-MGPQQGTHSA-N 2 1 353.467 -1.231 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)CC1 ZINC000911187603 658003435 /nfs/dbraw/zinc/00/34/35/658003435.db2.gz GMOIOFQJELUQQL-AWEZNQCLSA-N 2 1 353.467 -1.087 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911188737 658003409 /nfs/dbraw/zinc/00/34/09/658003409.db2.gz VWKKCHJRRVMWOW-KBPBESRZSA-N 2 1 353.467 -1.005 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911188738 658004038 /nfs/dbraw/zinc/00/40/38/658004038.db2.gz VWKKCHJRRVMWOW-UONOGXRCSA-N 2 1 353.467 -1.005 20 0 FAADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911272982 658004884 /nfs/dbraw/zinc/00/48/84/658004884.db2.gz HKGLBEOACHLNCA-AWEZNQCLSA-N 2 1 353.467 -1.277 20 0 FAADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911272982 658004872 /nfs/dbraw/zinc/00/48/72/658004872.db2.gz HKGLBEOACHLNCA-AWEZNQCLSA-N 2 1 353.467 -1.277 20 0 FAADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911272983 658005060 /nfs/dbraw/zinc/00/50/60/658005060.db2.gz HKGLBEOACHLNCA-CQSZACIVSA-N 2 1 353.467 -1.277 20 0 FAADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911272983 658005052 /nfs/dbraw/zinc/00/50/52/658005052.db2.gz HKGLBEOACHLNCA-CQSZACIVSA-N 2 1 353.467 -1.277 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)N1CC[NH2+]CC1 ZINC000911273201 658004588 /nfs/dbraw/zinc/00/45/88/658004588.db2.gz JFTHCMVCKVSCKB-CHWSQXEVSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH2+]CC1 ZINC000911273201 658004576 /nfs/dbraw/zinc/00/45/76/658004576.db2.gz JFTHCMVCKVSCKB-CHWSQXEVSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)N1CC[NH2+]CC1 ZINC000911273212 658004380 /nfs/dbraw/zinc/00/43/80/658004380.db2.gz JFTHCMVCKVSCKB-OLZOCXBDSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[NH2+]CC1 ZINC000911273212 658004375 /nfs/dbraw/zinc/00/43/75/658004375.db2.gz JFTHCMVCKVSCKB-OLZOCXBDSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)N1CC[NH2+]CC1 ZINC000911273214 658004916 /nfs/dbraw/zinc/00/49/16/658004916.db2.gz JFTHCMVCKVSCKB-QWHCGFSZSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH2+]CC1 ZINC000911273214 658004908 /nfs/dbraw/zinc/00/49/08/658004908.db2.gz JFTHCMVCKVSCKB-QWHCGFSZSA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)N1CC[NH2+]CC1 ZINC000911273216 658004845 /nfs/dbraw/zinc/00/48/45/658004845.db2.gz JFTHCMVCKVSCKB-STQMWFEESA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[NH2+]CC1 ZINC000911273216 658004839 /nfs/dbraw/zinc/00/48/39/658004839.db2.gz JFTHCMVCKVSCKB-STQMWFEESA-N 2 1 369.491 -1.770 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911273986 658004550 /nfs/dbraw/zinc/00/45/50/658004550.db2.gz NYXKFCBLAZRFIJ-KBPBESRZSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911273986 658004542 /nfs/dbraw/zinc/00/45/42/658004542.db2.gz NYXKFCBLAZRFIJ-KBPBESRZSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911273987 658004979 /nfs/dbraw/zinc/00/49/79/658004979.db2.gz NYXKFCBLAZRFIJ-KGLIPLIRSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911273987 658004970 /nfs/dbraw/zinc/00/49/70/658004970.db2.gz NYXKFCBLAZRFIJ-KGLIPLIRSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911273988 658004762 /nfs/dbraw/zinc/00/47/62/658004762.db2.gz NYXKFCBLAZRFIJ-UONOGXRCSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911273988 658004751 /nfs/dbraw/zinc/00/47/51/658004751.db2.gz NYXKFCBLAZRFIJ-UONOGXRCSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911273989 658005148 /nfs/dbraw/zinc/00/51/48/658005148.db2.gz NYXKFCBLAZRFIJ-ZIAGYGMSSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911273989 658005138 /nfs/dbraw/zinc/00/51/38/658005138.db2.gz NYXKFCBLAZRFIJ-ZIAGYGMSSA-N 2 1 355.508 -1.296 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911274313 658005095 /nfs/dbraw/zinc/00/50/95/658005095.db2.gz OINFUXOUTITHSC-CABCVRRESA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911274314 658005801 /nfs/dbraw/zinc/00/58/01/658005801.db2.gz OINFUXOUTITHSC-GJZGRUSLSA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911274315 658006004 /nfs/dbraw/zinc/00/60/04/658006004.db2.gz OINFUXOUTITHSC-HUUCEWRRSA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911274316 658005862 /nfs/dbraw/zinc/00/58/62/658005862.db2.gz OINFUXOUTITHSC-LSDHHAIUSA-N 2 1 353.467 -1.935 20 0 FAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911309047 658005515 /nfs/dbraw/zinc/00/55/15/658005515.db2.gz DDCYGCSBDHWYRN-KKUMJFAQSA-N 2 1 354.451 -1.461 20 0 FAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911309048 658006023 /nfs/dbraw/zinc/00/60/23/658006023.db2.gz DDCYGCSBDHWYRN-RRFJBIMHSA-N 2 1 354.451 -1.461 20 0 FAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911309049 658006606 /nfs/dbraw/zinc/00/66/06/658006606.db2.gz DDCYGCSBDHWYRN-SOUVJXGZSA-N 2 1 354.451 -1.461 20 0 FAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911309050 658006519 /nfs/dbraw/zinc/00/65/19/658006519.db2.gz DDCYGCSBDHWYRN-ZNMIVQPWSA-N 2 1 354.451 -1.461 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000911367989 658009385 /nfs/dbraw/zinc/00/93/85/658009385.db2.gz NBMOYZJJIAKPBJ-AWEZNQCLSA-N 2 1 353.467 -1.493 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000911367989 658009378 /nfs/dbraw/zinc/00/93/78/658009378.db2.gz NBMOYZJJIAKPBJ-AWEZNQCLSA-N 2 1 353.467 -1.493 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000911367991 658009674 /nfs/dbraw/zinc/00/96/74/658009674.db2.gz NBMOYZJJIAKPBJ-CQSZACIVSA-N 2 1 353.467 -1.493 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000911367991 658009668 /nfs/dbraw/zinc/00/96/68/658009668.db2.gz NBMOYZJJIAKPBJ-CQSZACIVSA-N 2 1 353.467 -1.493 20 0 FAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000911374548 658010401 /nfs/dbraw/zinc/01/04/01/658010401.db2.gz RNCVXUOUHSXVSC-MCIONIFRSA-N 2 1 351.451 -1.525 20 0 FAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000911374549 658010635 /nfs/dbraw/zinc/01/06/35/658010635.db2.gz RNCVXUOUHSXVSC-MGPQQGTHSA-N 2 1 351.451 -1.525 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000911414797 658010919 /nfs/dbraw/zinc/01/09/19/658010919.db2.gz QETQKWOVVDDBFI-DVOMOZLQSA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000911414797 658010910 /nfs/dbraw/zinc/01/09/10/658010910.db2.gz QETQKWOVVDDBFI-DVOMOZLQSA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000911414798 658010343 /nfs/dbraw/zinc/01/03/43/658010343.db2.gz QETQKWOVVDDBFI-HEHGZKQESA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000911414798 658010333 /nfs/dbraw/zinc/01/03/33/658010333.db2.gz QETQKWOVVDDBFI-HEHGZKQESA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000911414799 658010777 /nfs/dbraw/zinc/01/07/77/658010777.db2.gz QETQKWOVVDDBFI-WOSRLPQWSA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000911414799 658010762 /nfs/dbraw/zinc/01/07/62/658010762.db2.gz QETQKWOVVDDBFI-WOSRLPQWSA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000911414800 658010458 /nfs/dbraw/zinc/01/04/58/658010458.db2.gz QETQKWOVVDDBFI-XJKCOSOUSA-N 2 1 356.492 -1.005 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000911414800 658010446 /nfs/dbraw/zinc/01/04/46/658010446.db2.gz QETQKWOVVDDBFI-XJKCOSOUSA-N 2 1 356.492 -1.005 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)[C@@H](C[NH3+])C1 ZINC000911419270 658010891 /nfs/dbraw/zinc/01/08/91/658010891.db2.gz LQLFPOGWYPFQPO-BFHYXJOUSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)[C@@H](C[NH3+])C1 ZINC000911419270 658010885 /nfs/dbraw/zinc/01/08/85/658010885.db2.gz LQLFPOGWYPFQPO-BFHYXJOUSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[C@H](C[NH3+])C1 ZINC000911419272 658010274 /nfs/dbraw/zinc/01/02/74/658010274.db2.gz LQLFPOGWYPFQPO-MCIONIFRSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[C@H](C[NH3+])C1 ZINC000911419272 658010262 /nfs/dbraw/zinc/01/02/62/658010262.db2.gz LQLFPOGWYPFQPO-MCIONIFRSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)[C@H](C[NH3+])C1 ZINC000911419274 658010810 /nfs/dbraw/zinc/01/08/10/658010810.db2.gz LQLFPOGWYPFQPO-MGPQQGTHSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)[C@H](C[NH3+])C1 ZINC000911419274 658010798 /nfs/dbraw/zinc/01/07/98/658010798.db2.gz LQLFPOGWYPFQPO-MGPQQGTHSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000911419275 658010312 /nfs/dbraw/zinc/01/03/12/658010312.db2.gz LQLFPOGWYPFQPO-MJBXVCDLSA-N 2 1 355.508 -1.216 20 0 FAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000911419275 658010304 /nfs/dbraw/zinc/01/03/04/658010304.db2.gz LQLFPOGWYPFQPO-MJBXVCDLSA-N 2 1 355.508 -1.216 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560104 658013764 /nfs/dbraw/zinc/01/37/64/658013764.db2.gz KODLOFRRTSFFNW-IHRRRGAJSA-N 2 1 351.451 -1.395 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560105 658013581 /nfs/dbraw/zinc/01/35/81/658013581.db2.gz KODLOFRRTSFFNW-MGPQQGTHSA-N 2 1 351.451 -1.395 20 0 FAADMP CN(CC(N)=O)C[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC000915252210 790459766 /nfs/dbraw/zinc/45/97/66/790459766.db2.gz MCQMQKONPCKPGP-HOCLYGCPSA-N 2 1 374.507 -1.080 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923306489 658422226 /nfs/dbraw/zinc/42/22/26/658422226.db2.gz MSJDNUQSZGVDPN-AWEZNQCLSA-N 2 1 360.480 -1.441 20 0 FAADMP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923306508 658421947 /nfs/dbraw/zinc/42/19/47/658421947.db2.gz MSJDNUQSZGVDPN-CQSZACIVSA-N 2 1 360.480 -1.441 20 0 FAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923306637 658422152 /nfs/dbraw/zinc/42/21/52/658422152.db2.gz TZWOKDLFWGOPQG-HNNXBMFYSA-N 2 1 373.523 -1.525 20 0 FAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923306642 658422268 /nfs/dbraw/zinc/42/22/68/658422268.db2.gz TZWOKDLFWGOPQG-OAHLLOKOSA-N 2 1 373.523 -1.525 20 0 FAADMP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923370593 658422339 /nfs/dbraw/zinc/42/23/39/658422339.db2.gz WFBOJVMJCHVICR-CYBMUJFWSA-N 2 1 350.419 -1.342 20 0 FAADMP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923370594 658422252 /nfs/dbraw/zinc/42/22/52/658422252.db2.gz WFBOJVMJCHVICR-ZDUSSCGKSA-N 2 1 350.419 -1.342 20 0 FAADMP CC[NH+]1CCC(NC(=O)CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923433558 658423219 /nfs/dbraw/zinc/42/32/19/658423219.db2.gz HNIAXHUYAOBFTG-UHFFFAOYSA-N 2 1 373.523 -1.494 20 0 FAADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434413 658424397 /nfs/dbraw/zinc/42/43/97/658424397.db2.gz YOAMOSZMLBJKAH-IRXDYDNUSA-N 2 1 368.503 -1.164 20 0 FAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436768 658424013 /nfs/dbraw/zinc/42/40/13/658424013.db2.gz KODCEITZQNMKNE-CYBMUJFWSA-N 2 1 350.485 -2.155 20 0 FAADMP COCC[N@H+](C)C[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436768 658424009 /nfs/dbraw/zinc/42/40/09/658424009.db2.gz KODCEITZQNMKNE-CYBMUJFWSA-N 2 1 350.485 -2.155 20 0 FAADMP COCC[N@@H+](C)C[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436770 658424270 /nfs/dbraw/zinc/42/42/70/658424270.db2.gz KODCEITZQNMKNE-ZDUSSCGKSA-N 2 1 350.485 -2.155 20 0 FAADMP COCC[N@H+](C)C[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436770 658424266 /nfs/dbraw/zinc/42/42/66/658424266.db2.gz KODCEITZQNMKNE-ZDUSSCGKSA-N 2 1 350.485 -2.155 20 0 FAADMP CC(C)N(CCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1)S(C)(=O)=O ZINC000923461854 658424230 /nfs/dbraw/zinc/42/42/30/658424230.db2.gz XYYBXZLTBCGBDX-UHFFFAOYSA-N 2 1 363.528 -1.343 20 0 FAADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923592257 658425548 /nfs/dbraw/zinc/42/55/48/658425548.db2.gz LFHYIABDZFONTQ-UHFFFAOYSA-N 2 1 374.507 -1.162 20 0 FAADMP O=S(=O)(C1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923654839 658771395 /nfs/dbraw/zinc/77/13/95/658771395.db2.gz FXEGEFOAFCSRSP-LLVKDONJSA-N 2 1 352.482 -2.013 20 0 FAADMP O=S(=O)(C1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923654841 658771502 /nfs/dbraw/zinc/77/15/02/658771502.db2.gz FXEGEFOAFCSRSP-NSHDSACASA-N 2 1 352.482 -2.013 20 0 FAADMP NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923670130 658772726 /nfs/dbraw/zinc/77/27/26/658772726.db2.gz BOHBEYFSONBVHA-UHFFFAOYSA-N 2 1 359.496 -1.058 20 0 FAADMP O=S(=O)(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923674417 658772775 /nfs/dbraw/zinc/77/27/75/658772775.db2.gz LXOWZDQUBOVUDE-HNNXBMFYSA-N 2 1 361.512 -1.477 20 0 FAADMP O=S(=O)(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923674417 658772770 /nfs/dbraw/zinc/77/27/70/658772770.db2.gz LXOWZDQUBOVUDE-HNNXBMFYSA-N 2 1 361.512 -1.477 20 0 FAADMP O=S(=O)(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923674418 658772212 /nfs/dbraw/zinc/77/22/12/658772212.db2.gz LXOWZDQUBOVUDE-OAHLLOKOSA-N 2 1 361.512 -1.477 20 0 FAADMP O=S(=O)(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923674418 658772209 /nfs/dbraw/zinc/77/22/09/658772209.db2.gz LXOWZDQUBOVUDE-OAHLLOKOSA-N 2 1 361.512 -1.477 20 0 FAADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000925009817 657858361 /nfs/dbraw/zinc/85/83/61/657858361.db2.gz COJOZCITDGENTL-HNNXBMFYSA-N 2 1 356.467 -1.260 20 0 FAADMP C[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000925009817 657858354 /nfs/dbraw/zinc/85/83/54/657858354.db2.gz COJOZCITDGENTL-HNNXBMFYSA-N 2 1 356.467 -1.260 20 0 FAADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000925009831 657858410 /nfs/dbraw/zinc/85/84/10/657858410.db2.gz COJOZCITDGENTL-OAHLLOKOSA-N 2 1 356.467 -1.260 20 0 FAADMP C[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000925009831 657858407 /nfs/dbraw/zinc/85/84/07/657858407.db2.gz COJOZCITDGENTL-OAHLLOKOSA-N 2 1 356.467 -1.260 20 0 FAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1CCOC ZINC000926333586 658796394 /nfs/dbraw/zinc/79/63/94/658796394.db2.gz RYBWEXXSYCMGGW-PBHICJAKSA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1CCOC ZINC000926333586 658796390 /nfs/dbraw/zinc/79/63/90/658796390.db2.gz RYBWEXXSYCMGGW-PBHICJAKSA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1CCOC ZINC000926333590 658796573 /nfs/dbraw/zinc/79/65/73/658796573.db2.gz RYBWEXXSYCMGGW-RHSMWYFYSA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1CCOC ZINC000926333590 658796569 /nfs/dbraw/zinc/79/65/69/658796569.db2.gz RYBWEXXSYCMGGW-RHSMWYFYSA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1CCOC ZINC000926333593 658796660 /nfs/dbraw/zinc/79/66/60/658796660.db2.gz RYBWEXXSYCMGGW-WMLDXEAASA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1CCOC ZINC000926333593 658796659 /nfs/dbraw/zinc/79/66/59/658796659.db2.gz RYBWEXXSYCMGGW-WMLDXEAASA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1CCOC ZINC000926333595 658796502 /nfs/dbraw/zinc/79/65/02/658796502.db2.gz RYBWEXXSYCMGGW-YOEHRIQHSA-N 2 1 356.467 -1.132 20 0 FAADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1CCOC ZINC000926333595 658796498 /nfs/dbraw/zinc/79/64/98/658796498.db2.gz RYBWEXXSYCMGGW-YOEHRIQHSA-N 2 1 356.467 -1.132 20 0 FAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000926347220 658796558 /nfs/dbraw/zinc/79/65/58/658796558.db2.gz XSEXVGRCXYVVDJ-KRWDZBQOSA-N 2 1 354.451 -1.378 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000926347222 658796436 /nfs/dbraw/zinc/79/64/36/658796436.db2.gz XSEXVGRCXYVVDJ-QGZVFWFLSA-N 2 1 354.451 -1.378 20 0 FAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000926357432 658796636 /nfs/dbraw/zinc/79/66/36/658796636.db2.gz WUDDOSTWUXJSLO-PBHICJAKSA-N 2 1 354.451 -1.521 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000926357433 658796321 /nfs/dbraw/zinc/79/63/21/658796321.db2.gz WUDDOSTWUXJSLO-RHSMWYFYSA-N 2 1 354.451 -1.521 20 0 FAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000926357434 658796445 /nfs/dbraw/zinc/79/64/45/658796445.db2.gz WUDDOSTWUXJSLO-WMLDXEAASA-N 2 1 354.451 -1.521 20 0 FAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000926357435 658796626 /nfs/dbraw/zinc/79/66/26/658796626.db2.gz WUDDOSTWUXJSLO-YOEHRIQHSA-N 2 1 354.451 -1.521 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926385230 658797129 /nfs/dbraw/zinc/79/71/29/658797129.db2.gz DAUJFBVNKQMWNZ-KRWDZBQOSA-N 2 1 356.467 -1.132 20 0 FAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926385231 658797437 /nfs/dbraw/zinc/79/74/37/658797437.db2.gz DAUJFBVNKQMWNZ-QGZVFWFLSA-N 2 1 356.467 -1.132 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)CC[NH+](C)C ZINC000926410719 658797925 /nfs/dbraw/zinc/79/79/25/658797925.db2.gz AOCBPRRTMCJBDF-KRWDZBQOSA-N 2 1 357.499 -1.360 20 0 FAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926410719 658797916 /nfs/dbraw/zinc/79/79/16/658797916.db2.gz AOCBPRRTMCJBDF-KRWDZBQOSA-N 2 1 357.499 -1.360 20 0 FAADMP CN(CCCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)CC[NH+](C)C ZINC000926410757 658798103 /nfs/dbraw/zinc/79/81/03/658798103.db2.gz AOCBPRRTMCJBDF-QGZVFWFLSA-N 2 1 357.499 -1.360 20 0 FAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926410757 658798100 /nfs/dbraw/zinc/79/81/00/658798100.db2.gz AOCBPRRTMCJBDF-QGZVFWFLSA-N 2 1 357.499 -1.360 20 0 FAADMP CN(C)C(=O)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927833290 658800067 /nfs/dbraw/zinc/80/00/67/658800067.db2.gz SJKVMDLNMBAZBC-OKILXGFUSA-N 2 1 351.451 -1.382 20 0 FAADMP CN(C)C(=O)CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927833290 658800055 /nfs/dbraw/zinc/80/00/55/658800055.db2.gz SJKVMDLNMBAZBC-OKILXGFUSA-N 2 1 351.451 -1.382 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929892193 658803676 /nfs/dbraw/zinc/80/36/76/658803676.db2.gz AUNSFWSGGFXRPV-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929892193 658803664 /nfs/dbraw/zinc/80/36/64/658803664.db2.gz AUNSFWSGGFXRPV-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929892193 658803652 /nfs/dbraw/zinc/80/36/52/658803652.db2.gz AUNSFWSGGFXRPV-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929892194 658804173 /nfs/dbraw/zinc/80/41/73/658804173.db2.gz AUNSFWSGGFXRPV-GJZGRUSLSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929892194 658804161 /nfs/dbraw/zinc/80/41/61/658804161.db2.gz AUNSFWSGGFXRPV-GJZGRUSLSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929892194 658804148 /nfs/dbraw/zinc/80/41/48/658804148.db2.gz AUNSFWSGGFXRPV-GJZGRUSLSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929892195 658802634 /nfs/dbraw/zinc/80/26/34/658802634.db2.gz AUNSFWSGGFXRPV-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929892195 658802621 /nfs/dbraw/zinc/80/26/21/658802621.db2.gz AUNSFWSGGFXRPV-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929892195 658802611 /nfs/dbraw/zinc/80/26/11/658802611.db2.gz AUNSFWSGGFXRPV-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929892196 658803086 /nfs/dbraw/zinc/80/30/86/658803086.db2.gz AUNSFWSGGFXRPV-LSDHHAIUSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929892196 658803073 /nfs/dbraw/zinc/80/30/73/658803073.db2.gz AUNSFWSGGFXRPV-LSDHHAIUSA-N 2 1 356.467 -1.262 20 0 FAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929892196 658803059 /nfs/dbraw/zinc/80/30/59/658803059.db2.gz AUNSFWSGGFXRPV-LSDHHAIUSA-N 2 1 356.467 -1.262 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929936599 658803990 /nfs/dbraw/zinc/80/39/90/658803990.db2.gz XWNBXUXMUVQSCM-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929936599 658803979 /nfs/dbraw/zinc/80/39/79/658803979.db2.gz XWNBXUXMUVQSCM-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929936599 658803965 /nfs/dbraw/zinc/80/39/65/658803965.db2.gz XWNBXUXMUVQSCM-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929936599 658803952 /nfs/dbraw/zinc/80/39/52/658803952.db2.gz XWNBXUXMUVQSCM-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929936603 658803613 /nfs/dbraw/zinc/80/36/13/658803613.db2.gz XWNBXUXMUVQSCM-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929936603 658803599 /nfs/dbraw/zinc/80/35/99/658803599.db2.gz XWNBXUXMUVQSCM-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929936603 658803584 /nfs/dbraw/zinc/80/35/84/658803584.db2.gz XWNBXUXMUVQSCM-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929936603 658803572 /nfs/dbraw/zinc/80/35/72/658803572.db2.gz XWNBXUXMUVQSCM-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929936605 658802764 /nfs/dbraw/zinc/80/27/64/658802764.db2.gz XWNBXUXMUVQSCM-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929936605 658802750 /nfs/dbraw/zinc/80/27/50/658802750.db2.gz XWNBXUXMUVQSCM-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929936605 658802740 /nfs/dbraw/zinc/80/27/40/658802740.db2.gz XWNBXUXMUVQSCM-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929936605 658802724 /nfs/dbraw/zinc/80/27/24/658802724.db2.gz XWNBXUXMUVQSCM-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929936607 658804497 /nfs/dbraw/zinc/80/44/97/658804497.db2.gz XWNBXUXMUVQSCM-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929936607 658804483 /nfs/dbraw/zinc/80/44/83/658804483.db2.gz XWNBXUXMUVQSCM-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929936607 658804469 /nfs/dbraw/zinc/80/44/69/658804469.db2.gz XWNBXUXMUVQSCM-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929936607 658804456 /nfs/dbraw/zinc/80/44/56/658804456.db2.gz XWNBXUXMUVQSCM-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750406 658805682 /nfs/dbraw/zinc/80/56/82/658805682.db2.gz LGBDSMUMTUKEEY-BFHYXJOUSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750406 658805668 /nfs/dbraw/zinc/80/56/68/658805668.db2.gz LGBDSMUMTUKEEY-BFHYXJOUSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750406 658805655 /nfs/dbraw/zinc/80/56/55/658805655.db2.gz LGBDSMUMTUKEEY-BFHYXJOUSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750409 658806731 /nfs/dbraw/zinc/80/67/31/658806731.db2.gz LGBDSMUMTUKEEY-MCIONIFRSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750409 658806720 /nfs/dbraw/zinc/80/67/20/658806720.db2.gz LGBDSMUMTUKEEY-MCIONIFRSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](C)[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750409 658806705 /nfs/dbraw/zinc/80/67/05/658806705.db2.gz LGBDSMUMTUKEEY-MCIONIFRSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750411 658806070 /nfs/dbraw/zinc/80/60/70/658806070.db2.gz LGBDSMUMTUKEEY-MGPQQGTHSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750411 658806058 /nfs/dbraw/zinc/80/60/58/658806058.db2.gz LGBDSMUMTUKEEY-MGPQQGTHSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000930750411 658806045 /nfs/dbraw/zinc/80/60/45/658806045.db2.gz LGBDSMUMTUKEEY-MGPQQGTHSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750413 658806409 /nfs/dbraw/zinc/80/64/09/658806409.db2.gz LGBDSMUMTUKEEY-MJBXVCDLSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750413 658806397 /nfs/dbraw/zinc/80/63/97/658806397.db2.gz LGBDSMUMTUKEEY-MJBXVCDLSA-N 2 1 353.467 -1.373 20 0 FAADMP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H](C)[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC000930750413 658806383 /nfs/dbraw/zinc/80/63/83/658806383.db2.gz LGBDSMUMTUKEEY-MJBXVCDLSA-N 2 1 353.467 -1.373 20 0 FAADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335381 658808683 /nfs/dbraw/zinc/80/86/83/658808683.db2.gz DBGJDLSPWFHZSH-DHGKCCLASA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335381 658808670 /nfs/dbraw/zinc/80/86/70/658808670.db2.gz DBGJDLSPWFHZSH-DHGKCCLASA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335381 658808655 /nfs/dbraw/zinc/80/86/55/658808655.db2.gz DBGJDLSPWFHZSH-DHGKCCLASA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335381 658808642 /nfs/dbraw/zinc/80/86/42/658808642.db2.gz DBGJDLSPWFHZSH-DHGKCCLASA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335400 658809079 /nfs/dbraw/zinc/80/90/79/658809079.db2.gz DBGJDLSPWFHZSH-RYMFRWLXSA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335400 658809064 /nfs/dbraw/zinc/80/90/64/658809064.db2.gz DBGJDLSPWFHZSH-RYMFRWLXSA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335400 658809051 /nfs/dbraw/zinc/80/90/51/658809051.db2.gz DBGJDLSPWFHZSH-RYMFRWLXSA-N 2 1 351.403 -1.299 20 0 FAADMP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000931335400 658809039 /nfs/dbraw/zinc/80/90/39/658809039.db2.gz DBGJDLSPWFHZSH-RYMFRWLXSA-N 2 1 351.403 -1.299 20 0 FAADMP CN(CCCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)S(C)(=O)=O ZINC000931485493 658808937 /nfs/dbraw/zinc/80/89/37/658808937.db2.gz KRUWCDIDLILVDW-UHFFFAOYSA-N 2 1 364.512 -1.227 20 0 FAADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000931878560 658811687 /nfs/dbraw/zinc/81/16/87/658811687.db2.gz DZIIVTDSYGKHJX-AWEZNQCLSA-N 2 1 351.451 -1.427 20 0 FAADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000931878560 658811672 /nfs/dbraw/zinc/81/16/72/658811672.db2.gz DZIIVTDSYGKHJX-AWEZNQCLSA-N 2 1 351.451 -1.427 20 0 FAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000931878561 658812695 /nfs/dbraw/zinc/81/26/95/658812695.db2.gz DZIIVTDSYGKHJX-CQSZACIVSA-N 2 1 351.451 -1.427 20 0 FAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000931878561 658812683 /nfs/dbraw/zinc/81/26/83/658812683.db2.gz DZIIVTDSYGKHJX-CQSZACIVSA-N 2 1 351.451 -1.427 20 0 FAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931878592 658812043 /nfs/dbraw/zinc/81/20/43/658812043.db2.gz FNVCHPSVGMFLQU-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931878592 658812031 /nfs/dbraw/zinc/81/20/31/658812031.db2.gz FNVCHPSVGMFLQU-AWEZNQCLSA-N 2 1 353.467 -1.181 20 0 FAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931878593 658811446 /nfs/dbraw/zinc/81/14/46/658811446.db2.gz FNVCHPSVGMFLQU-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931878593 658811432 /nfs/dbraw/zinc/81/14/32/658811432.db2.gz FNVCHPSVGMFLQU-CQSZACIVSA-N 2 1 353.467 -1.181 20 0 FAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000931880695 658811599 /nfs/dbraw/zinc/81/15/99/658811599.db2.gz KOHCVWBAMDKPSC-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000931880695 658811586 /nfs/dbraw/zinc/81/15/86/658811586.db2.gz KOHCVWBAMDKPSC-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000931880695 658811574 /nfs/dbraw/zinc/81/15/74/658811574.db2.gz KOHCVWBAMDKPSC-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000931880695 658811562 /nfs/dbraw/zinc/81/15/62/658811562.db2.gz KOHCVWBAMDKPSC-KBPBESRZSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000931880696 658811163 /nfs/dbraw/zinc/81/11/63/658811163.db2.gz KOHCVWBAMDKPSC-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000931880696 658811148 /nfs/dbraw/zinc/81/11/48/658811148.db2.gz KOHCVWBAMDKPSC-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000931880696 658811135 /nfs/dbraw/zinc/81/11/35/658811135.db2.gz KOHCVWBAMDKPSC-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000931880696 658811123 /nfs/dbraw/zinc/81/11/23/658811123.db2.gz KOHCVWBAMDKPSC-KGLIPLIRSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000931880697 658812418 /nfs/dbraw/zinc/81/24/18/658812418.db2.gz KOHCVWBAMDKPSC-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000931880697 658812406 /nfs/dbraw/zinc/81/24/06/658812406.db2.gz KOHCVWBAMDKPSC-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000931880697 658812392 /nfs/dbraw/zinc/81/23/92/658812392.db2.gz KOHCVWBAMDKPSC-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000931880697 658812380 /nfs/dbraw/zinc/81/23/80/658812380.db2.gz KOHCVWBAMDKPSC-UONOGXRCSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000931880698 658811875 /nfs/dbraw/zinc/81/18/75/658811875.db2.gz KOHCVWBAMDKPSC-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000931880698 658811864 /nfs/dbraw/zinc/81/18/64/658811864.db2.gz KOHCVWBAMDKPSC-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000931880698 658811852 /nfs/dbraw/zinc/81/18/52/658811852.db2.gz KOHCVWBAMDKPSC-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000931880698 658811840 /nfs/dbraw/zinc/81/18/40/658811840.db2.gz KOHCVWBAMDKPSC-ZIAGYGMSSA-N 2 1 351.451 -1.428 20 0 FAADMP CCO[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+](C)C ZINC000932469058 658815322 /nfs/dbraw/zinc/81/53/22/658815322.db2.gz SNVPMHRFCQNYRD-AWEZNQCLSA-N 2 1 358.483 -1.016 20 0 FAADMP CCO[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+](C)C ZINC000932469059 658814965 /nfs/dbraw/zinc/81/49/65/658814965.db2.gz SNVPMHRFCQNYRD-CQSZACIVSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC000946924111 658425589 /nfs/dbraw/zinc/42/55/89/658425589.db2.gz BXLFQYSRBVYKGC-HZSPNIEDSA-N 2 1 354.451 -1.463 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC000946924111 658425579 /nfs/dbraw/zinc/42/55/79/658425579.db2.gz BXLFQYSRBVYKGC-HZSPNIEDSA-N 2 1 354.451 -1.463 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC000946924112 658425349 /nfs/dbraw/zinc/42/53/49/658425349.db2.gz BXLFQYSRBVYKGC-MGPQQGTHSA-N 2 1 354.451 -1.463 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC000946924112 658425341 /nfs/dbraw/zinc/42/53/41/658425341.db2.gz BXLFQYSRBVYKGC-MGPQQGTHSA-N 2 1 354.451 -1.463 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)O1 ZINC000960530669 658921764 /nfs/dbraw/zinc/92/17/64/658921764.db2.gz WWOADJONSYYOIJ-QMIVOQANSA-N 2 1 351.451 -1.223 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)O1 ZINC000960530669 658921759 /nfs/dbraw/zinc/92/17/59/658921759.db2.gz WWOADJONSYYOIJ-QMIVOQANSA-N 2 1 351.451 -1.223 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)O1 ZINC000960530669 658921756 /nfs/dbraw/zinc/92/17/56/658921756.db2.gz WWOADJONSYYOIJ-QMIVOQANSA-N 2 1 351.451 -1.223 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)O1 ZINC000960530669 658921752 /nfs/dbraw/zinc/92/17/52/658921752.db2.gz WWOADJONSYYOIJ-QMIVOQANSA-N 2 1 351.451 -1.223 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000962044757 658971603 /nfs/dbraw/zinc/97/16/03/658971603.db2.gz CGSFFYIPQUDGBR-HZSPNIEDSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000962044757 658971602 /nfs/dbraw/zinc/97/16/02/658971602.db2.gz CGSFFYIPQUDGBR-HZSPNIEDSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000962044759 658971384 /nfs/dbraw/zinc/97/13/84/658971384.db2.gz CGSFFYIPQUDGBR-RDBSUJKOSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000962044759 658971381 /nfs/dbraw/zinc/97/13/81/658971381.db2.gz CGSFFYIPQUDGBR-RDBSUJKOSA-N 2 1 352.435 -1.899 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)CC1 ZINC000962054582 658974780 /nfs/dbraw/zinc/97/47/80/658974780.db2.gz NAPKZDMSRZHGKN-ILXRZTDVSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)CC1 ZINC000962054582 658974776 /nfs/dbraw/zinc/97/47/76/658974776.db2.gz NAPKZDMSRZHGKN-ILXRZTDVSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)CC1 ZINC000962054584 658974565 /nfs/dbraw/zinc/97/45/65/658974565.db2.gz NAPKZDMSRZHGKN-QLFBSQMISA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)CC1 ZINC000962054584 658974561 /nfs/dbraw/zinc/97/45/61/658974561.db2.gz NAPKZDMSRZHGKN-QLFBSQMISA-N 2 1 354.451 -1.653 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)C1 ZINC000963420978 659048768 /nfs/dbraw/zinc/04/87/68/659048768.db2.gz PYZNIRWZRNYVBY-KFWWJZLASA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)C1 ZINC000963420978 659048760 /nfs/dbraw/zinc/04/87/60/659048760.db2.gz PYZNIRWZRNYVBY-KFWWJZLASA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)C1 ZINC000963420979 659049068 /nfs/dbraw/zinc/04/90/68/659049068.db2.gz PYZNIRWZRNYVBY-ZNMIVQPWSA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)C1 ZINC000963420979 659049063 /nfs/dbraw/zinc/04/90/63/659049063.db2.gz PYZNIRWZRNYVBY-ZNMIVQPWSA-N 2 1 354.451 -1.652 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000965049640 659097073 /nfs/dbraw/zinc/09/70/73/659097073.db2.gz CFXSYHQZGZOGFR-ILXRZTDVSA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000965049640 659097069 /nfs/dbraw/zinc/09/70/69/659097069.db2.gz CFXSYHQZGZOGFR-ILXRZTDVSA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000965049642 659097183 /nfs/dbraw/zinc/09/71/83/659097183.db2.gz CFXSYHQZGZOGFR-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000965049642 659097178 /nfs/dbraw/zinc/09/71/78/659097178.db2.gz CFXSYHQZGZOGFR-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)O1 ZINC000968407165 659144066 /nfs/dbraw/zinc/14/40/66/659144066.db2.gz RJYNVNSQBJZZJJ-APIJFGDWSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)O1 ZINC000968407165 659144065 /nfs/dbraw/zinc/14/40/65/659144065.db2.gz RJYNVNSQBJZZJJ-APIJFGDWSA-N 2 1 354.451 -1.511 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2O)CC1 ZINC000968452733 659145606 /nfs/dbraw/zinc/14/56/06/659145606.db2.gz PBDRZGUSMSHRAZ-ILXRZTDVSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2O)CC1 ZINC000968452733 659145602 /nfs/dbraw/zinc/14/56/02/659145602.db2.gz PBDRZGUSMSHRAZ-ILXRZTDVSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2O)CC1 ZINC000968452734 659145532 /nfs/dbraw/zinc/14/55/32/659145532.db2.gz PBDRZGUSMSHRAZ-QLFBSQMISA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2O)CC1 ZINC000968452734 659145529 /nfs/dbraw/zinc/14/55/29/659145529.db2.gz PBDRZGUSMSHRAZ-QLFBSQMISA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC000968728334 659171588 /nfs/dbraw/zinc/17/15/88/659171588.db2.gz JJOKGJDYVQGDFG-MGPQQGTHSA-N 2 1 351.451 -1.525 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC000969071725 659197489 /nfs/dbraw/zinc/19/74/89/659197489.db2.gz BYUICZNMEZQSFS-RBSFLKMASA-N 2 1 354.451 -1.245 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC000969071891 659197377 /nfs/dbraw/zinc/19/73/77/659197377.db2.gz LZNYFBNZACVCPX-JHJVBQTASA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC000969071891 659197368 /nfs/dbraw/zinc/19/73/68/659197368.db2.gz LZNYFBNZACVCPX-JHJVBQTASA-N 2 1 353.423 -1.552 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969088272 659198416 /nfs/dbraw/zinc/19/84/16/659198416.db2.gz VNRJYHJYODQGTD-HZSPNIEDSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969088272 659198413 /nfs/dbraw/zinc/19/84/13/659198413.db2.gz VNRJYHJYODQGTD-HZSPNIEDSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969088275 659198314 /nfs/dbraw/zinc/19/83/14/659198314.db2.gz VNRJYHJYODQGTD-RDBSUJKOSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969088275 659198311 /nfs/dbraw/zinc/19/83/11/659198311.db2.gz VNRJYHJYODQGTD-RDBSUJKOSA-N 2 1 352.435 -1.899 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)O1 ZINC000973987792 657770726 /nfs/dbraw/zinc/77/07/26/657770726.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 1 354.451 -1.201 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)O1 ZINC000973987792 657770718 /nfs/dbraw/zinc/77/07/18/657770718.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 1 354.451 -1.201 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)O1 ZINC000973987795 657770832 /nfs/dbraw/zinc/77/08/32/657770832.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 1 354.451 -1.201 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)O1 ZINC000973987795 657770826 /nfs/dbraw/zinc/77/08/26/657770826.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 1 354.451 -1.201 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC000984017291 657862295 /nfs/dbraw/zinc/86/22/95/657862295.db2.gz YYFPGWYVFKRRIL-DHGKCCLASA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC000984017291 657862286 /nfs/dbraw/zinc/86/22/86/657862286.db2.gz YYFPGWYVFKRRIL-DHGKCCLASA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC000984017293 657862975 /nfs/dbraw/zinc/86/29/75/657862975.db2.gz YYFPGWYVFKRRIL-XGFWRYKXSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC000984017293 657862962 /nfs/dbraw/zinc/86/29/62/657862962.db2.gz YYFPGWYVFKRRIL-XGFWRYKXSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)O1 ZINC000999988837 658360573 /nfs/dbraw/zinc/36/05/73/658360573.db2.gz BFLKRVLEGFYQME-BPLDGKMQSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)O1 ZINC000999988837 658360569 /nfs/dbraw/zinc/36/05/69/658360569.db2.gz BFLKRVLEGFYQME-BPLDGKMQSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)O1 ZINC000999988837 658360551 /nfs/dbraw/zinc/36/05/51/658360551.db2.gz BFLKRVLEGFYQME-BPLDGKMQSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)O1 ZINC000999988837 658360539 /nfs/dbraw/zinc/36/05/39/658360539.db2.gz BFLKRVLEGFYQME-BPLDGKMQSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)O1 ZINC000999988846 658360827 /nfs/dbraw/zinc/36/08/27/658360827.db2.gz BFLKRVLEGFYQME-VHDGCEQUSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)O1 ZINC000999988846 658360816 /nfs/dbraw/zinc/36/08/16/658360816.db2.gz BFLKRVLEGFYQME-VHDGCEQUSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)O1 ZINC000999988846 658360809 /nfs/dbraw/zinc/36/08/09/658360809.db2.gz BFLKRVLEGFYQME-VHDGCEQUSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)O1 ZINC000999988846 658360797 /nfs/dbraw/zinc/36/07/97/658360797.db2.gz BFLKRVLEGFYQME-VHDGCEQUSA-N 2 1 352.439 -1.148 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001018865579 659219021 /nfs/dbraw/zinc/21/90/21/659219021.db2.gz JJOKGJDYVQGDFG-HZSPNIEDSA-N 2 1 351.451 -1.525 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001019032046 659219473 /nfs/dbraw/zinc/21/94/73/659219473.db2.gz BYUICZNMEZQSFS-QLFBSQMISA-N 2 1 354.451 -1.245 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001019032046 659219468 /nfs/dbraw/zinc/21/94/68/659219468.db2.gz BYUICZNMEZQSFS-QLFBSQMISA-N 2 1 354.451 -1.245 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001019032216 659219658 /nfs/dbraw/zinc/21/96/58/659219658.db2.gz LZNYFBNZACVCPX-FRRDWIJNSA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001019032216 659219655 /nfs/dbraw/zinc/21/96/55/659219655.db2.gz LZNYFBNZACVCPX-FRRDWIJNSA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001020171336 659222375 /nfs/dbraw/zinc/22/23/75/659222375.db2.gz XRSCNUWSZZGKBN-AAVRWANBSA-N 2 1 351.451 -1.478 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001020286721 659222482 /nfs/dbraw/zinc/22/24/82/659222482.db2.gz KMRVUMLKRLMNLC-FDYHWXHSSA-N 2 1 353.423 -1.506 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001020286721 659222481 /nfs/dbraw/zinc/22/24/81/659222481.db2.gz KMRVUMLKRLMNLC-FDYHWXHSSA-N 2 1 353.423 -1.506 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001020288090 659222314 /nfs/dbraw/zinc/22/23/14/659222314.db2.gz YYASIXMJRJYQPB-KBUPBQIOSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001020288090 659222308 /nfs/dbraw/zinc/22/23/08/659222308.db2.gz YYASIXMJRJYQPB-KBUPBQIOSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001022105274 657260461 /nfs/dbraw/zinc/26/04/61/657260461.db2.gz XRSCNUWSZZGKBN-YIYPIFLZSA-N 2 1 351.451 -1.478 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001022275373 657263447 /nfs/dbraw/zinc/26/34/47/657263447.db2.gz KMRVUMLKRLMNLC-FVCCEPFGSA-N 2 1 353.423 -1.506 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)O1 ZINC001022275373 657263442 /nfs/dbraw/zinc/26/34/42/657263442.db2.gz KMRVUMLKRLMNLC-FVCCEPFGSA-N 2 1 353.423 -1.506 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001022277241 657263426 /nfs/dbraw/zinc/26/34/26/657263426.db2.gz YYASIXMJRJYQPB-APIJFGDWSA-N 2 1 354.451 -1.199 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)O1 ZINC001022277241 657263421 /nfs/dbraw/zinc/26/34/21/657263421.db2.gz YYASIXMJRJYQPB-APIJFGDWSA-N 2 1 354.451 -1.199 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023280981 657325983 /nfs/dbraw/zinc/32/59/83/657325983.db2.gz CGSFFYIPQUDGBR-MCIONIFRSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023280981 657325977 /nfs/dbraw/zinc/32/59/77/657325977.db2.gz CGSFFYIPQUDGBR-MCIONIFRSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023280983 657325746 /nfs/dbraw/zinc/32/57/46/657325746.db2.gz CGSFFYIPQUDGBR-MGPQQGTHSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023280983 657325740 /nfs/dbraw/zinc/32/57/40/657325740.db2.gz CGSFFYIPQUDGBR-MGPQQGTHSA-N 2 1 352.435 -1.899 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001023283051 657330332 /nfs/dbraw/zinc/33/03/32/657330332.db2.gz NAPKZDMSRZHGKN-KFWWJZLASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001023283051 657330327 /nfs/dbraw/zinc/33/03/27/657330327.db2.gz NAPKZDMSRZHGKN-KFWWJZLASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001023283058 657330147 /nfs/dbraw/zinc/33/01/47/657330147.db2.gz NAPKZDMSRZHGKN-RBSFLKMASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001023283058 657330144 /nfs/dbraw/zinc/33/01/44/657330144.db2.gz NAPKZDMSRZHGKN-RBSFLKMASA-N 2 1 354.451 -1.653 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)C1 ZINC001023782487 657387115 /nfs/dbraw/zinc/38/71/15/657387115.db2.gz PYZNIRWZRNYVBY-RBSFLKMASA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)C1 ZINC001023782487 657387110 /nfs/dbraw/zinc/38/71/10/657387110.db2.gz PYZNIRWZRNYVBY-RBSFLKMASA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)C1 ZINC001023782488 657386930 /nfs/dbraw/zinc/38/69/30/657386930.db2.gz PYZNIRWZRNYVBY-RRFJBIMHSA-N 2 1 354.451 -1.652 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)C1 ZINC001023782488 657386927 /nfs/dbraw/zinc/38/69/27/657386927.db2.gz PYZNIRWZRNYVBY-RRFJBIMHSA-N 2 1 354.451 -1.652 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023997973 657425204 /nfs/dbraw/zinc/42/52/04/657425204.db2.gz CFXSYHQZGZOGFR-KFWWJZLASA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023997973 657425201 /nfs/dbraw/zinc/42/52/01/657425201.db2.gz CFXSYHQZGZOGFR-KFWWJZLASA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023997974 657425141 /nfs/dbraw/zinc/42/51/41/657425141.db2.gz CFXSYHQZGZOGFR-RBSFLKMASA-N 2 1 354.451 -1.509 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023997974 657425133 /nfs/dbraw/zinc/42/51/33/657425133.db2.gz CFXSYHQZGZOGFR-RBSFLKMASA-N 2 1 354.451 -1.509 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)O1 ZINC001024389672 657469654 /nfs/dbraw/zinc/46/96/54/657469654.db2.gz RJYNVNSQBJZZJJ-KBUPBQIOSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)O1 ZINC001024389672 657469648 /nfs/dbraw/zinc/46/96/48/657469648.db2.gz RJYNVNSQBJZZJJ-KBUPBQIOSA-N 2 1 354.451 -1.511 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2O)CC1 ZINC001024414626 657473802 /nfs/dbraw/zinc/47/38/02/657473802.db2.gz PBDRZGUSMSHRAZ-KFWWJZLASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2O)CC1 ZINC001024414626 657473799 /nfs/dbraw/zinc/47/37/99/657473799.db2.gz PBDRZGUSMSHRAZ-KFWWJZLASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2O)CC1 ZINC001024414627 657473634 /nfs/dbraw/zinc/47/36/34/657473634.db2.gz PBDRZGUSMSHRAZ-RBSFLKMASA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2O)CC1 ZINC001024414627 657473632 /nfs/dbraw/zinc/47/36/32/657473632.db2.gz PBDRZGUSMSHRAZ-RBSFLKMASA-N 2 1 354.451 -1.653 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787674 657556754 /nfs/dbraw/zinc/55/67/54/657556754.db2.gz VNRJYHJYODQGTD-MCIONIFRSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787674 657556746 /nfs/dbraw/zinc/55/67/46/657556746.db2.gz VNRJYHJYODQGTD-MCIONIFRSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787675 657556909 /nfs/dbraw/zinc/55/69/09/657556909.db2.gz VNRJYHJYODQGTD-MGPQQGTHSA-N 2 1 352.435 -1.899 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787675 657556906 /nfs/dbraw/zinc/55/69/06/657556906.db2.gz VNRJYHJYODQGTD-MGPQQGTHSA-N 2 1 352.435 -1.899 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818341 657767839 /nfs/dbraw/zinc/76/78/39/657767839.db2.gz PGZRCJXWRHGBLH-CPZNCEPXSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818341 657767834 /nfs/dbraw/zinc/76/78/34/657767834.db2.gz PGZRCJXWRHGBLH-CPZNCEPXSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818341 657767825 /nfs/dbraw/zinc/76/78/25/657767825.db2.gz PGZRCJXWRHGBLH-CPZNCEPXSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818341 657767816 /nfs/dbraw/zinc/76/78/16/657767816.db2.gz PGZRCJXWRHGBLH-CPZNCEPXSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818343 657768350 /nfs/dbraw/zinc/76/83/50/657768350.db2.gz PGZRCJXWRHGBLH-FEPPMDFBSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818343 657768335 /nfs/dbraw/zinc/76/83/35/657768335.db2.gz PGZRCJXWRHGBLH-FEPPMDFBSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818343 657768326 /nfs/dbraw/zinc/76/83/26/657768326.db2.gz PGZRCJXWRHGBLH-FEPPMDFBSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)O1 ZINC001025818343 657768321 /nfs/dbraw/zinc/76/83/21/657768321.db2.gz PGZRCJXWRHGBLH-FEPPMDFBSA-N 2 1 350.419 -1.443 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850485 /nfs/dbraw/zinc/85/04/85/657850485.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850475 /nfs/dbraw/zinc/85/04/75/657850475.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850751 /nfs/dbraw/zinc/85/07/51/657850751.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850734 /nfs/dbraw/zinc/85/07/34/657850734.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 1 353.423 -1.552 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001040201761 659228957 /nfs/dbraw/zinc/22/89/57/659228957.db2.gz OPORVZBJGWBVFQ-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001040201761 659228954 /nfs/dbraw/zinc/22/89/54/659228954.db2.gz OPORVZBJGWBVFQ-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001040201762 659228855 /nfs/dbraw/zinc/22/88/55/659228855.db2.gz OPORVZBJGWBVFQ-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001040201762 659228851 /nfs/dbraw/zinc/22/88/51/659228851.db2.gz OPORVZBJGWBVFQ-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001040800275 659231936 /nfs/dbraw/zinc/23/19/36/659231936.db2.gz FAAWUBKVUJNSDP-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001040800275 659231930 /nfs/dbraw/zinc/23/19/30/659231930.db2.gz FAAWUBKVUJNSDP-CKEIUWERSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001040800276 659231872 /nfs/dbraw/zinc/23/18/72/659231872.db2.gz FAAWUBKVUJNSDP-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001040800276 659231865 /nfs/dbraw/zinc/23/18/65/659231865.db2.gz FAAWUBKVUJNSDP-CPUCHLNUSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001042299612 659250544 /nfs/dbraw/zinc/25/05/44/659250544.db2.gz FNZYYCHVXLASTK-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001042299612 659250542 /nfs/dbraw/zinc/25/05/42/659250542.db2.gz FNZYYCHVXLASTK-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001042299612 659250539 /nfs/dbraw/zinc/25/05/39/659250539.db2.gz FNZYYCHVXLASTK-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001042299612 659250536 /nfs/dbraw/zinc/25/05/36/659250536.db2.gz FNZYYCHVXLASTK-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001042299613 659250304 /nfs/dbraw/zinc/25/03/04/659250304.db2.gz FNZYYCHVXLASTK-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001042299613 659250300 /nfs/dbraw/zinc/25/03/00/659250300.db2.gz FNZYYCHVXLASTK-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001042299613 659250295 /nfs/dbraw/zinc/25/02/95/659250295.db2.gz FNZYYCHVXLASTK-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001042299613 659250290 /nfs/dbraw/zinc/25/02/90/659250290.db2.gz FNZYYCHVXLASTK-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC001043119866 659259264 /nfs/dbraw/zinc/25/92/64/659259264.db2.gz FQRXZWVLBGJYSV-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001043119866 659259263 /nfs/dbraw/zinc/25/92/63/659259263.db2.gz FQRXZWVLBGJYSV-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC001043119866 659259261 /nfs/dbraw/zinc/25/92/61/659259261.db2.gz FQRXZWVLBGJYSV-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC001043119866 659259259 /nfs/dbraw/zinc/25/92/59/659259259.db2.gz FQRXZWVLBGJYSV-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC001043119867 659259211 /nfs/dbraw/zinc/25/92/11/659259211.db2.gz FQRXZWVLBGJYSV-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001043119867 659259208 /nfs/dbraw/zinc/25/92/08/659259208.db2.gz FQRXZWVLBGJYSV-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001043119867 659259205 /nfs/dbraw/zinc/25/92/05/659259205.db2.gz FQRXZWVLBGJYSV-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001043119867 659259202 /nfs/dbraw/zinc/25/92/02/659259202.db2.gz FQRXZWVLBGJYSV-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043160006 659259864 /nfs/dbraw/zinc/25/98/64/659259864.db2.gz QIKJMNBMNHWAML-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043160006 659259861 /nfs/dbraw/zinc/25/98/61/659259861.db2.gz QIKJMNBMNHWAML-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001043261477 659262683 /nfs/dbraw/zinc/26/26/83/659262683.db2.gz LHRJJANEGSAFMQ-ZIAGYGMSSA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001043266787 659263480 /nfs/dbraw/zinc/26/34/80/659263480.db2.gz MHWACYFEJKTSFI-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001043266787 659263478 /nfs/dbraw/zinc/26/34/78/659263478.db2.gz MHWACYFEJKTSFI-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001043266787 659263476 /nfs/dbraw/zinc/26/34/76/659263476.db2.gz MHWACYFEJKTSFI-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001043266787 659263475 /nfs/dbraw/zinc/26/34/75/659263475.db2.gz MHWACYFEJKTSFI-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC001043266788 659263272 /nfs/dbraw/zinc/26/32/72/659263272.db2.gz MHWACYFEJKTSFI-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC001043266788 659263267 /nfs/dbraw/zinc/26/32/67/659263267.db2.gz MHWACYFEJKTSFI-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC001043266788 659263265 /nfs/dbraw/zinc/26/32/65/659263265.db2.gz MHWACYFEJKTSFI-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC001043266788 659263261 /nfs/dbraw/zinc/26/32/61/659263261.db2.gz MHWACYFEJKTSFI-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043430913 659268145 /nfs/dbraw/zinc/26/81/45/659268145.db2.gz NUKAAMXDFDFNPA-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043430913 659268143 /nfs/dbraw/zinc/26/81/43/659268143.db2.gz NUKAAMXDFDFNPA-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043430913 659268140 /nfs/dbraw/zinc/26/81/40/659268140.db2.gz NUKAAMXDFDFNPA-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043430913 659268137 /nfs/dbraw/zinc/26/81/37/659268137.db2.gz NUKAAMXDFDFNPA-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001043668775 659272121 /nfs/dbraw/zinc/27/21/21/659272121.db2.gz CYKATDQNHPUVPV-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001043668775 659272118 /nfs/dbraw/zinc/27/21/18/659272118.db2.gz CYKATDQNHPUVPV-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043668822 659272306 /nfs/dbraw/zinc/27/23/06/659272306.db2.gz DPBADXRKZZLKJT-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043668822 659272305 /nfs/dbraw/zinc/27/23/05/659272305.db2.gz DPBADXRKZZLKJT-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043668822 659272304 /nfs/dbraw/zinc/27/23/04/659272304.db2.gz DPBADXRKZZLKJT-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043668822 659272303 /nfs/dbraw/zinc/27/23/03/659272303.db2.gz DPBADXRKZZLKJT-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043669203 659272248 /nfs/dbraw/zinc/27/22/48/659272248.db2.gz DTJFBAQOAIYEPC-HZSPNIEDSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043669203 659272244 /nfs/dbraw/zinc/27/22/44/659272244.db2.gz DTJFBAQOAIYEPC-HZSPNIEDSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043669205 659272490 /nfs/dbraw/zinc/27/24/90/659272490.db2.gz DTJFBAQOAIYEPC-MGPQQGTHSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043669205 659272484 /nfs/dbraw/zinc/27/24/84/659272484.db2.gz DTJFBAQOAIYEPC-MGPQQGTHSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043671656 659272906 /nfs/dbraw/zinc/27/29/06/659272906.db2.gz VSTKPQDOJFITOH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043671656 659272903 /nfs/dbraw/zinc/27/29/03/659272903.db2.gz VSTKPQDOJFITOH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC001043671806 659273084 /nfs/dbraw/zinc/27/30/84/659273084.db2.gz YDFHDRMQNZSERR-HZSPNIEDSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001043671806 659273079 /nfs/dbraw/zinc/27/30/79/659273079.db2.gz YDFHDRMQNZSERR-HZSPNIEDSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC001043671806 659273073 /nfs/dbraw/zinc/27/30/73/659273073.db2.gz YDFHDRMQNZSERR-HZSPNIEDSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC001043671806 659273069 /nfs/dbraw/zinc/27/30/69/659273069.db2.gz YDFHDRMQNZSERR-HZSPNIEDSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC001043671808 659272885 /nfs/dbraw/zinc/27/28/85/659272885.db2.gz YDFHDRMQNZSERR-MGPQQGTHSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001043671808 659272880 /nfs/dbraw/zinc/27/28/80/659272880.db2.gz YDFHDRMQNZSERR-MGPQQGTHSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC001043671808 659272876 /nfs/dbraw/zinc/27/28/76/659272876.db2.gz YDFHDRMQNZSERR-MGPQQGTHSA-N 2 1 354.451 -1.511 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC001043671808 659272872 /nfs/dbraw/zinc/27/28/72/659272872.db2.gz YDFHDRMQNZSERR-MGPQQGTHSA-N 2 1 354.451 -1.511 20 0 FAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043672024 659272990 /nfs/dbraw/zinc/27/29/90/659272990.db2.gz ZZWVEKGVYZFBPJ-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043672024 659272989 /nfs/dbraw/zinc/27/29/89/659272989.db2.gz ZZWVEKGVYZFBPJ-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043672024 659272985 /nfs/dbraw/zinc/27/29/85/659272985.db2.gz ZZWVEKGVYZFBPJ-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043672024 659272984 /nfs/dbraw/zinc/27/29/84/659272984.db2.gz ZZWVEKGVYZFBPJ-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043679478 659274899 /nfs/dbraw/zinc/27/48/99/659274899.db2.gz LBSUFBBEMAUDCY-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043679478 659274891 /nfs/dbraw/zinc/27/48/91/659274891.db2.gz LBSUFBBEMAUDCY-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043679478 659274887 /nfs/dbraw/zinc/27/48/87/659274887.db2.gz LBSUFBBEMAUDCY-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001043679478 659274880 /nfs/dbraw/zinc/27/48/80/659274880.db2.gz LBSUFBBEMAUDCY-ZIAGYGMSSA-N 2 1 356.467 -1.265 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001043680209 659274545 /nfs/dbraw/zinc/27/45/45/659274545.db2.gz OOWNDTDUIVVMEB-ZIAGYGMSSA-N 2 1 354.451 -1.509 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001043680209 659274542 /nfs/dbraw/zinc/27/45/42/659274542.db2.gz OOWNDTDUIVVMEB-ZIAGYGMSSA-N 2 1 354.451 -1.509 20 0 FAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043681116 659274662 /nfs/dbraw/zinc/27/46/62/659274662.db2.gz JENACWQBNNWPBO-MGPQQGTHSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001043681116 659274658 /nfs/dbraw/zinc/27/46/58/659274658.db2.gz JENACWQBNNWPBO-MGPQQGTHSA-N 2 1 356.467 -1.265 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC001043681918 659274677 /nfs/dbraw/zinc/27/46/77/659274677.db2.gz XZTDRHCQGANPIO-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001043681918 659274674 /nfs/dbraw/zinc/27/46/74/659274674.db2.gz XZTDRHCQGANPIO-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC001043681918 659274672 /nfs/dbraw/zinc/27/46/72/659274672.db2.gz XZTDRHCQGANPIO-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC001043681918 659274670 /nfs/dbraw/zinc/27/46/70/659274670.db2.gz XZTDRHCQGANPIO-HZSPNIEDSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC001043681919 659274486 /nfs/dbraw/zinc/27/44/86/659274486.db2.gz XZTDRHCQGANPIO-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001043681919 659274483 /nfs/dbraw/zinc/27/44/83/659274483.db2.gz XZTDRHCQGANPIO-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001043681919 659274479 /nfs/dbraw/zinc/27/44/79/659274479.db2.gz XZTDRHCQGANPIO-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC001043681919 659274478 /nfs/dbraw/zinc/27/44/78/659274478.db2.gz XZTDRHCQGANPIO-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001044000275 659282076 /nfs/dbraw/zinc/28/20/76/659282076.db2.gz DSSNIUFCRGRWHB-ZIAGYGMSSA-N 2 1 356.467 -1.406 20 0 FAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001044044044 659282658 /nfs/dbraw/zinc/28/26/58/659282658.db2.gz JENACWQBNNWPBO-HZSPNIEDSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001044044044 659282655 /nfs/dbraw/zinc/28/26/55/659282655.db2.gz JENACWQBNNWPBO-HZSPNIEDSA-N 2 1 356.467 -1.265 20 0 FAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001044303015 659287567 /nfs/dbraw/zinc/28/75/67/659287567.db2.gz RGKBWVBGCNBPRH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001044303015 659287564 /nfs/dbraw/zinc/28/75/64/659287564.db2.gz RGKBWVBGCNBPRH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001044303015 659287562 /nfs/dbraw/zinc/28/75/62/659287562.db2.gz RGKBWVBGCNBPRH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001044303015 659287558 /nfs/dbraw/zinc/28/75/58/659287558.db2.gz RGKBWVBGCNBPRH-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)O1 ZINC001045418475 659296094 /nfs/dbraw/zinc/29/60/94/659296094.db2.gz VMVPUWIAOQRNLR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)O1 ZINC001045418475 659296092 /nfs/dbraw/zinc/29/60/92/659296092.db2.gz VMVPUWIAOQRNLR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046536302 659302072 /nfs/dbraw/zinc/30/20/72/659302072.db2.gz TVVNUUUWCQUXBR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046536302 659302066 /nfs/dbraw/zinc/30/20/66/659302066.db2.gz TVVNUUUWCQUXBR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046536302 659302061 /nfs/dbraw/zinc/30/20/61/659302061.db2.gz TVVNUUUWCQUXBR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046536302 659302057 /nfs/dbraw/zinc/30/20/57/659302057.db2.gz TVVNUUUWCQUXBR-ZIAGYGMSSA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001047384909 659319953 /nfs/dbraw/zinc/31/99/53/659319953.db2.gz NIQZZNGESNNCEN-KBXIAJHMSA-N 2 1 353.467 -1.145 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001047384909 659319947 /nfs/dbraw/zinc/31/99/47/659319947.db2.gz NIQZZNGESNNCEN-KBXIAJHMSA-N 2 1 353.467 -1.145 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001047384909 659319940 /nfs/dbraw/zinc/31/99/40/659319940.db2.gz NIQZZNGESNNCEN-KBXIAJHMSA-N 2 1 353.467 -1.145 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001047384909 659319936 /nfs/dbraw/zinc/31/99/36/659319936.db2.gz NIQZZNGESNNCEN-KBXIAJHMSA-N 2 1 353.467 -1.145 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)O1 ZINC001049023817 659326304 /nfs/dbraw/zinc/32/63/04/659326304.db2.gz KQQHYMHYFGAJCY-CBBWQLFWSA-N 2 1 356.467 -1.313 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)O1 ZINC001049023817 659326298 /nfs/dbraw/zinc/32/62/98/659326298.db2.gz KQQHYMHYFGAJCY-CBBWQLFWSA-N 2 1 356.467 -1.313 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)O1 ZINC001049429481 659328742 /nfs/dbraw/zinc/32/87/42/659328742.db2.gz XOMXTKNDSCYNJZ-CBBWQLFWSA-N 2 1 356.467 -1.313 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)O1 ZINC001049429481 659328736 /nfs/dbraw/zinc/32/87/36/659328736.db2.gz XOMXTKNDSCYNJZ-CBBWQLFWSA-N 2 1 356.467 -1.313 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001051624233 659361390 /nfs/dbraw/zinc/36/13/90/659361390.db2.gz NWNHAZFTOHKMSV-FRRDWIJNSA-N 2 1 352.439 -1.234 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001051624233 659361387 /nfs/dbraw/zinc/36/13/87/659361387.db2.gz NWNHAZFTOHKMSV-FRRDWIJNSA-N 2 1 352.439 -1.234 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001051624234 659361293 /nfs/dbraw/zinc/36/12/93/659361293.db2.gz NWNHAZFTOHKMSV-JHJVBQTASA-N 2 1 352.439 -1.234 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001051624234 659361290 /nfs/dbraw/zinc/36/12/90/659361290.db2.gz NWNHAZFTOHKMSV-JHJVBQTASA-N 2 1 352.439 -1.234 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001051680299 659361267 /nfs/dbraw/zinc/36/12/67/659361267.db2.gz LUCULBASNUYPSD-BPLDGKMQSA-N 2 1 352.439 -1.149 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001051680299 659361259 /nfs/dbraw/zinc/36/12/59/659361259.db2.gz LUCULBASNUYPSD-BPLDGKMQSA-N 2 1 352.439 -1.149 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001051680300 659361413 /nfs/dbraw/zinc/36/14/13/659361413.db2.gz LUCULBASNUYPSD-VHDGCEQUSA-N 2 1 352.439 -1.149 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)O1 ZINC001051680300 659361411 /nfs/dbraw/zinc/36/14/11/659361411.db2.gz LUCULBASNUYPSD-VHDGCEQUSA-N 2 1 352.439 -1.149 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)CC[N@H+]1C ZINC001055548000 659337526 /nfs/dbraw/zinc/33/75/26/659337526.db2.gz AHSFGELQYMXUBZ-TZMCWYRMSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(N)=O)CC2)CC[N@H+]1C ZINC001055583223 659338126 /nfs/dbraw/zinc/33/81/26/659338126.db2.gz DYIRTNNMDJJZCS-TZMCWYRMSA-N 2 1 353.467 -1.101 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC[N@H+]1C ZINC001055583592 659337477 /nfs/dbraw/zinc/33/74/77/659337477.db2.gz UCDIDMMHGRXEPH-UONOGXRCSA-N 2 1 353.467 -1.101 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC[N@H+]1C ZINC001055628614 659337727 /nfs/dbraw/zinc/33/77/27/659337727.db2.gz FCPULJYVWIQHOG-UONOGXRCSA-N 2 1 353.467 -1.101 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001055628614 659337721 /nfs/dbraw/zinc/33/77/21/659337721.db2.gz FCPULJYVWIQHOG-UONOGXRCSA-N 2 1 353.467 -1.101 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC001057210497 659349823 /nfs/dbraw/zinc/34/98/23/659349823.db2.gz KZOPWIHMWUIDDT-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC001057210497 659349815 /nfs/dbraw/zinc/34/98/15/659349815.db2.gz KZOPWIHMWUIDDT-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001057210497 659349809 /nfs/dbraw/zinc/34/98/09/659349809.db2.gz KZOPWIHMWUIDDT-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001057210497 659349800 /nfs/dbraw/zinc/34/98/00/659349800.db2.gz KZOPWIHMWUIDDT-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)O1 ZINC001057210498 659350201 /nfs/dbraw/zinc/35/02/01/659350201.db2.gz KZOPWIHMWUIDDT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC001057210498 659350195 /nfs/dbraw/zinc/35/01/95/659350195.db2.gz KZOPWIHMWUIDDT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)O1 ZINC001057210498 659350190 /nfs/dbraw/zinc/35/01/90/659350190.db2.gz KZOPWIHMWUIDDT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)O1 ZINC001057210498 659350184 /nfs/dbraw/zinc/35/01/84/659350184.db2.gz KZOPWIHMWUIDDT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001057265252 659350386 /nfs/dbraw/zinc/35/03/86/659350386.db2.gz SRLQDRSXHAOLAR-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001057265252 659350380 /nfs/dbraw/zinc/35/03/80/659350380.db2.gz SRLQDRSXHAOLAR-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001057265252 659350374 /nfs/dbraw/zinc/35/03/74/659350374.db2.gz SRLQDRSXHAOLAR-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001057265252 659350370 /nfs/dbraw/zinc/35/03/70/659350370.db2.gz SRLQDRSXHAOLAR-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC001057265252 659350364 /nfs/dbraw/zinc/35/03/64/659350364.db2.gz SRLQDRSXHAOLAR-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001057265253 659350643 /nfs/dbraw/zinc/35/06/43/659350643.db2.gz SRLQDRSXHAOLAR-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001057265253 659350636 /nfs/dbraw/zinc/35/06/36/659350636.db2.gz SRLQDRSXHAOLAR-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001057265253 659350631 /nfs/dbraw/zinc/35/06/31/659350631.db2.gz SRLQDRSXHAOLAR-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001057265253 659350625 /nfs/dbraw/zinc/35/06/25/659350625.db2.gz SRLQDRSXHAOLAR-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC001057265253 659350618 /nfs/dbraw/zinc/35/06/18/659350618.db2.gz SRLQDRSXHAOLAR-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)O1 ZINC001057636308 659356950 /nfs/dbraw/zinc/35/69/50/659356950.db2.gz QBKIHZPYAXKNOI-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)O1 ZINC001057636308 659356944 /nfs/dbraw/zinc/35/69/44/659356944.db2.gz QBKIHZPYAXKNOI-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001057636308 659356938 /nfs/dbraw/zinc/35/69/38/659356938.db2.gz QBKIHZPYAXKNOI-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001057636308 659356932 /nfs/dbraw/zinc/35/69/32/659356932.db2.gz QBKIHZPYAXKNOI-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)O1 ZINC001057636309 659356605 /nfs/dbraw/zinc/35/66/05/659356605.db2.gz QBKIHZPYAXKNOI-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)O1 ZINC001057636309 659356599 /nfs/dbraw/zinc/35/65/99/659356599.db2.gz QBKIHZPYAXKNOI-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001057636309 659356593 /nfs/dbraw/zinc/35/65/93/659356593.db2.gz QBKIHZPYAXKNOI-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001057636309 659356587 /nfs/dbraw/zinc/35/65/87/659356587.db2.gz QBKIHZPYAXKNOI-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)O1 ZINC001057642642 659356730 /nfs/dbraw/zinc/35/67/30/659356730.db2.gz SCTXEZBNBMRLKB-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)O1 ZINC001057642642 659356720 /nfs/dbraw/zinc/35/67/20/659356720.db2.gz SCTXEZBNBMRLKB-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057661172 659357321 /nfs/dbraw/zinc/35/73/21/659357321.db2.gz MVACAOKQNYPSBE-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057661172 659357315 /nfs/dbraw/zinc/35/73/15/659357315.db2.gz MVACAOKQNYPSBE-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001057739920 659365580 /nfs/dbraw/zinc/36/55/80/659365580.db2.gz WCCSZHUSWGQCJE-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001057739920 659365577 /nfs/dbraw/zinc/36/55/77/659365577.db2.gz WCCSZHUSWGQCJE-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001057739920 659365573 /nfs/dbraw/zinc/36/55/73/659365573.db2.gz WCCSZHUSWGQCJE-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001057739920 659365570 /nfs/dbraw/zinc/36/55/70/659365570.db2.gz WCCSZHUSWGQCJE-KFWWJZLASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001057739921 659365707 /nfs/dbraw/zinc/36/57/07/659365707.db2.gz WCCSZHUSWGQCJE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001057739921 659365702 /nfs/dbraw/zinc/36/57/02/659365702.db2.gz WCCSZHUSWGQCJE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001057739921 659365696 /nfs/dbraw/zinc/36/56/96/659365696.db2.gz WCCSZHUSWGQCJE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001057739921 659365692 /nfs/dbraw/zinc/36/56/92/659365692.db2.gz WCCSZHUSWGQCJE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001057741576 659365625 /nfs/dbraw/zinc/36/56/25/659365625.db2.gz UXCLAFBBABFWBI-HUUCEWRRSA-N 2 1 358.483 -1.158 20 0 FAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057864317 659368301 /nfs/dbraw/zinc/36/83/01/659368301.db2.gz MLEITSHDKMKOKU-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057864317 659368295 /nfs/dbraw/zinc/36/82/95/659368295.db2.gz MLEITSHDKMKOKU-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057864317 659368289 /nfs/dbraw/zinc/36/82/89/659368289.db2.gz MLEITSHDKMKOKU-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057864317 659368283 /nfs/dbraw/zinc/36/82/83/659368283.db2.gz MLEITSHDKMKOKU-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC001057972110 659371406 /nfs/dbraw/zinc/37/14/06/659371406.db2.gz PFGPQDPJCBRJAQ-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC001057972110 659371400 /nfs/dbraw/zinc/37/14/00/659371400.db2.gz PFGPQDPJCBRJAQ-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001057972110 659371393 /nfs/dbraw/zinc/37/13/93/659371393.db2.gz PFGPQDPJCBRJAQ-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001057972110 659371389 /nfs/dbraw/zinc/37/13/89/659371389.db2.gz PFGPQDPJCBRJAQ-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC001057972111 659371069 /nfs/dbraw/zinc/37/10/69/659371069.db2.gz PFGPQDPJCBRJAQ-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC001057972111 659371062 /nfs/dbraw/zinc/37/10/62/659371062.db2.gz PFGPQDPJCBRJAQ-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC001057972111 659371059 /nfs/dbraw/zinc/37/10/59/659371059.db2.gz PFGPQDPJCBRJAQ-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC001057972111 659371051 /nfs/dbraw/zinc/37/10/51/659371051.db2.gz PFGPQDPJCBRJAQ-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057972920 659371924 /nfs/dbraw/zinc/37/19/24/659371924.db2.gz CVDGHPRHQKKQBG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057972920 659371914 /nfs/dbraw/zinc/37/19/14/659371914.db2.gz CVDGHPRHQKKQBG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057972920 659371909 /nfs/dbraw/zinc/37/19/09/659371909.db2.gz CVDGHPRHQKKQBG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057972920 659371904 /nfs/dbraw/zinc/37/19/04/659371904.db2.gz CVDGHPRHQKKQBG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057973023 659371845 /nfs/dbraw/zinc/37/18/45/659371845.db2.gz HPGLLFMALYSJJQ-QLFBSQMISA-N 2 1 358.483 -1.017 20 0 FAADMP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057973023 659371837 /nfs/dbraw/zinc/37/18/37/659371837.db2.gz HPGLLFMALYSJJQ-QLFBSQMISA-N 2 1 358.483 -1.017 20 0 FAADMP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057973024 659371822 /nfs/dbraw/zinc/37/18/22/659371822.db2.gz HPGLLFMALYSJJQ-RBSFLKMASA-N 2 1 358.483 -1.017 20 0 FAADMP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057973024 659371818 /nfs/dbraw/zinc/37/18/18/659371818.db2.gz HPGLLFMALYSJJQ-RBSFLKMASA-N 2 1 358.483 -1.017 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)O1 ZINC001057973076 659372131 /nfs/dbraw/zinc/37/21/31/659372131.db2.gz KMYFRFOIQRDHOB-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)O1 ZINC001057973076 659372128 /nfs/dbraw/zinc/37/21/28/659372128.db2.gz KMYFRFOIQRDHOB-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057973132 659372611 /nfs/dbraw/zinc/37/26/11/659372611.db2.gz MUWXQEURLGZGFZ-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057973132 659372605 /nfs/dbraw/zinc/37/26/05/659372605.db2.gz MUWXQEURLGZGFZ-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057973132 659372598 /nfs/dbraw/zinc/37/25/98/659372598.db2.gz MUWXQEURLGZGFZ-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057973132 659372593 /nfs/dbraw/zinc/37/25/93/659372593.db2.gz MUWXQEURLGZGFZ-HUUCEWRRSA-N 2 1 358.483 -1.017 20 0 FAADMP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057973205 659373306 /nfs/dbraw/zinc/37/33/06/659373306.db2.gz PNZQNKJZVLCQPR-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057973205 659373298 /nfs/dbraw/zinc/37/32/98/659373298.db2.gz PNZQNKJZVLCQPR-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)O1 ZINC001057973335 659373127 /nfs/dbraw/zinc/37/31/27/659373127.db2.gz WMPROBCRRLDEAE-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)O1 ZINC001057973335 659373122 /nfs/dbraw/zinc/37/31/22/659373122.db2.gz WMPROBCRRLDEAE-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)O1 ZINC001057973401 659373163 /nfs/dbraw/zinc/37/31/63/659373163.db2.gz ZEAXYCSFSXHLHE-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)O1 ZINC001057973401 659373158 /nfs/dbraw/zinc/37/31/58/659373158.db2.gz ZEAXYCSFSXHLHE-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001057973401 659373154 /nfs/dbraw/zinc/37/31/54/659373154.db2.gz ZEAXYCSFSXHLHE-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)O1 ZINC001057973401 659373150 /nfs/dbraw/zinc/37/31/50/659373150.db2.gz ZEAXYCSFSXHLHE-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)O1 ZINC001057973402 659372921 /nfs/dbraw/zinc/37/29/21/659372921.db2.gz ZEAXYCSFSXHLHE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)O1 ZINC001057973402 659372914 /nfs/dbraw/zinc/37/29/14/659372914.db2.gz ZEAXYCSFSXHLHE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001057973402 659372907 /nfs/dbraw/zinc/37/29/07/659372907.db2.gz ZEAXYCSFSXHLHE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)O1 ZINC001057973402 659372902 /nfs/dbraw/zinc/37/29/02/659372902.db2.gz ZEAXYCSFSXHLHE-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057973411 659373063 /nfs/dbraw/zinc/37/30/63/659373063.db2.gz ZPMKOFBTMGESDG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057973411 659373057 /nfs/dbraw/zinc/37/30/57/659373057.db2.gz ZPMKOFBTMGESDG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057973411 659373050 /nfs/dbraw/zinc/37/30/50/659373050.db2.gz ZPMKOFBTMGESDG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001057973411 659373047 /nfs/dbraw/zinc/37/30/47/659373047.db2.gz ZPMKOFBTMGESDG-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057974988 659373534 /nfs/dbraw/zinc/37/35/34/659373534.db2.gz BUYYGKAEAIPERE-RBSFLKMASA-N 2 1 358.483 -1.017 20 0 FAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001057974988 659373525 /nfs/dbraw/zinc/37/35/25/659373525.db2.gz BUYYGKAEAIPERE-RBSFLKMASA-N 2 1 358.483 -1.017 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001058157705 659376752 /nfs/dbraw/zinc/37/67/52/659376752.db2.gz GGQJYXMHBCEVTN-HUUCEWRRSA-N 2 1 358.483 -1.158 20 0 FAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001058169606 659376677 /nfs/dbraw/zinc/37/66/77/659376677.db2.gz BUYYGKAEAIPERE-QLFBSQMISA-N 2 1 358.483 -1.017 20 0 FAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001058169606 659376671 /nfs/dbraw/zinc/37/66/71/659376671.db2.gz BUYYGKAEAIPERE-QLFBSQMISA-N 2 1 358.483 -1.017 20 0 FAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001058256671 680071768 /nfs/dbraw/zinc/07/17/68/680071768.db2.gz CSYGPJBFBMUDPY-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001058256671 680071761 /nfs/dbraw/zinc/07/17/61/680071761.db2.gz CSYGPJBFBMUDPY-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001058256671 680071753 /nfs/dbraw/zinc/07/17/53/680071753.db2.gz CSYGPJBFBMUDPY-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001058256671 680071747 /nfs/dbraw/zinc/07/17/47/680071747.db2.gz CSYGPJBFBMUDPY-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)O1 ZINC001058610329 679508927 /nfs/dbraw/zinc/50/89/27/679508927.db2.gz GKZMIWJMEKRKFL-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)O1 ZINC001058610329 679508924 /nfs/dbraw/zinc/50/89/24/679508924.db2.gz GKZMIWJMEKRKFL-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001058817763 679512325 /nfs/dbraw/zinc/51/23/25/679512325.db2.gz QYGVZIDXVANHGA-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001058817763 679512321 /nfs/dbraw/zinc/51/23/21/679512321.db2.gz QYGVZIDXVANHGA-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001058817763 679512318 /nfs/dbraw/zinc/51/23/18/679512318.db2.gz QYGVZIDXVANHGA-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001058817763 679512314 /nfs/dbraw/zinc/51/23/14/679512314.db2.gz QYGVZIDXVANHGA-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001058817763 679512311 /nfs/dbraw/zinc/51/23/11/679512311.db2.gz QYGVZIDXVANHGA-HUUCEWRRSA-N 2 1 358.483 -1.016 20 0 FAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070260818 680090741 /nfs/dbraw/zinc/09/07/41/680090741.db2.gz SWYNPIDHHMUIDP-ILXRZTDVSA-N 2 1 352.439 -1.279 20 0 FAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070260818 680090739 /nfs/dbraw/zinc/09/07/39/680090739.db2.gz SWYNPIDHHMUIDP-ILXRZTDVSA-N 2 1 352.439 -1.279 20 0 FAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070260819 680090842 /nfs/dbraw/zinc/09/08/42/680090842.db2.gz SWYNPIDHHMUIDP-QLFBSQMISA-N 2 1 352.439 -1.279 20 0 FAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070260819 680090839 /nfs/dbraw/zinc/09/08/39/680090839.db2.gz SWYNPIDHHMUIDP-QLFBSQMISA-N 2 1 352.439 -1.279 20 0 FAADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070294931 680091877 /nfs/dbraw/zinc/09/18/77/680091877.db2.gz CFEVUQBBQPWAHH-KFWWJZLASA-N 2 1 352.439 -1.277 20 0 FAADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070294932 680092282 /nfs/dbraw/zinc/09/22/82/680092282.db2.gz CFEVUQBBQPWAHH-ZNMIVQPWSA-N 2 1 352.439 -1.277 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071047005 680097397 /nfs/dbraw/zinc/09/73/97/680097397.db2.gz VGGXYTAEPRYKAW-FMKPAKJESA-N 2 1 354.451 -1.212 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071047005 680097391 /nfs/dbraw/zinc/09/73/91/680097391.db2.gz VGGXYTAEPRYKAW-FMKPAKJESA-N 2 1 354.451 -1.212 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071047006 680097490 /nfs/dbraw/zinc/09/74/90/680097490.db2.gz VGGXYTAEPRYKAW-YCPHGPKFSA-N 2 1 354.451 -1.212 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071047006 680097486 /nfs/dbraw/zinc/09/74/86/680097486.db2.gz VGGXYTAEPRYKAW-YCPHGPKFSA-N 2 1 354.451 -1.212 20 0 FAADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520587 /nfs/dbraw/zinc/52/05/87/679520587.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 1 351.451 -1.125 20 0 FAADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520584 /nfs/dbraw/zinc/52/05/84/679520584.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 1 351.451 -1.125 20 0 FAADMP CN1CCO[C@H](C(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520455 /nfs/dbraw/zinc/52/04/55/679520455.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 1 351.451 -1.125 20 0 FAADMP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520452 /nfs/dbraw/zinc/52/04/52/679520452.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 1 351.451 -1.125 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002773 679569944 /nfs/dbraw/zinc/56/99/44/679569944.db2.gz GZSYICVTLDWTNU-RBSFLKMASA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002773 679569943 /nfs/dbraw/zinc/56/99/43/679569943.db2.gz GZSYICVTLDWTNU-RBSFLKMASA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002774 679569893 /nfs/dbraw/zinc/56/98/93/679569893.db2.gz GZSYICVTLDWTNU-RRFJBIMHSA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002774 679569889 /nfs/dbraw/zinc/56/98/89/679569889.db2.gz GZSYICVTLDWTNU-RRFJBIMHSA-N 2 1 351.451 -1.485 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077023880 679571840 /nfs/dbraw/zinc/57/18/40/679571840.db2.gz XYXCHSGYEBBLFK-FDYHWXHSSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077023880 679571839 /nfs/dbraw/zinc/57/18/39/679571839.db2.gz XYXCHSGYEBBLFK-FDYHWXHSSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077023880 679571836 /nfs/dbraw/zinc/57/18/36/679571836.db2.gz XYXCHSGYEBBLFK-FDYHWXHSSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077023880 679571834 /nfs/dbraw/zinc/57/18/34/679571834.db2.gz XYXCHSGYEBBLFK-FDYHWXHSSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077024963 679570763 /nfs/dbraw/zinc/57/07/63/679570763.db2.gz ZTKYYKHMRWYRDN-AAVRWANBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC[NH+]1C ZINC001077024963 679570761 /nfs/dbraw/zinc/57/07/61/679570761.db2.gz ZTKYYKHMRWYRDN-AAVRWANBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077024963 679570758 /nfs/dbraw/zinc/57/07/58/679570758.db2.gz ZTKYYKHMRWYRDN-AAVRWANBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077024963 679570754 /nfs/dbraw/zinc/57/07/54/679570754.db2.gz ZTKYYKHMRWYRDN-AAVRWANBSA-N 2 1 352.435 -1.363 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077027103 679571359 /nfs/dbraw/zinc/57/13/59/679571359.db2.gz BUKCEGAERVICHW-GBJTYRQASA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077027103 679571353 /nfs/dbraw/zinc/57/13/53/679571353.db2.gz BUKCEGAERVICHW-GBJTYRQASA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077027103 679571350 /nfs/dbraw/zinc/57/13/50/679571350.db2.gz BUKCEGAERVICHW-GBJTYRQASA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077027103 679571346 /nfs/dbraw/zinc/57/13/46/679571346.db2.gz BUKCEGAERVICHW-GBJTYRQASA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077570871 679628460 /nfs/dbraw/zinc/62/84/60/679628460.db2.gz CRNWZNYCAWJZRD-BYNSBNAKSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077570871 679628456 /nfs/dbraw/zinc/62/84/56/679628456.db2.gz CRNWZNYCAWJZRD-BYNSBNAKSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077570871 679628454 /nfs/dbraw/zinc/62/84/54/679628454.db2.gz CRNWZNYCAWJZRD-BYNSBNAKSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077570871 679628453 /nfs/dbraw/zinc/62/84/53/679628453.db2.gz CRNWZNYCAWJZRD-BYNSBNAKSA-N 2 1 353.467 -1.097 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001077618228 679897588 /nfs/dbraw/zinc/89/75/88/679897588.db2.gz CAMPECBDXSKMOL-ZIAGYGMSSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001077618228 679897586 /nfs/dbraw/zinc/89/75/86/679897586.db2.gz CAMPECBDXSKMOL-ZIAGYGMSSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001077618274 679897578 /nfs/dbraw/zinc/89/75/78/679897578.db2.gz DVKHOAOZBYFZIH-CHWSQXEVSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001077618274 679897575 /nfs/dbraw/zinc/89/75/75/679897575.db2.gz DVKHOAOZBYFZIH-CHWSQXEVSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001077618458 679897415 /nfs/dbraw/zinc/89/74/15/679897415.db2.gz IZYGWKOYWSMWPZ-ARFHVFGLSA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001077618461 679897385 /nfs/dbraw/zinc/89/73/85/679897385.db2.gz IZYGWKOYWSMWPZ-BZUAXINKSA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077779608 679904862 /nfs/dbraw/zinc/90/48/62/679904862.db2.gz XUCAOSVVSGZGJI-HUUCEWRRSA-N 2 1 353.467 -1.095 20 0 FAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077779608 679904860 /nfs/dbraw/zinc/90/48/60/679904860.db2.gz XUCAOSVVSGZGJI-HUUCEWRRSA-N 2 1 353.467 -1.095 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006915 679920186 /nfs/dbraw/zinc/92/01/86/679920186.db2.gz IMQDZRCUZHUCIX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006915 679920183 /nfs/dbraw/zinc/92/01/83/679920183.db2.gz IMQDZRCUZHUCIX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006915 679920179 /nfs/dbraw/zinc/92/01/79/679920179.db2.gz IMQDZRCUZHUCIX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006915 679920175 /nfs/dbraw/zinc/92/01/75/679920175.db2.gz IMQDZRCUZHUCIX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006916 679919943 /nfs/dbraw/zinc/91/99/43/679919943.db2.gz IMQDZRCUZHUCIX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006916 679919937 /nfs/dbraw/zinc/91/99/37/679919937.db2.gz IMQDZRCUZHUCIX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006916 679919930 /nfs/dbraw/zinc/91/99/30/679919930.db2.gz IMQDZRCUZHUCIX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078006916 679919929 /nfs/dbraw/zinc/91/99/29/679919929.db2.gz IMQDZRCUZHUCIX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008286 679920260 /nfs/dbraw/zinc/92/02/60/679920260.db2.gz BDSQDTZDGROUNX-BFHYXJOUSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008286 679920259 /nfs/dbraw/zinc/92/02/59/679920259.db2.gz BDSQDTZDGROUNX-BFHYXJOUSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008286 679920257 /nfs/dbraw/zinc/92/02/57/679920257.db2.gz BDSQDTZDGROUNX-BFHYXJOUSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008286 679920256 /nfs/dbraw/zinc/92/02/56/679920256.db2.gz BDSQDTZDGROUNX-BFHYXJOUSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008287 679919663 /nfs/dbraw/zinc/91/96/63/679919663.db2.gz BDSQDTZDGROUNX-MGPQQGTHSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008287 679919661 /nfs/dbraw/zinc/91/96/61/679919661.db2.gz BDSQDTZDGROUNX-MGPQQGTHSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008287 679919659 /nfs/dbraw/zinc/91/96/59/679919659.db2.gz BDSQDTZDGROUNX-MGPQQGTHSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078008287 679919656 /nfs/dbraw/zinc/91/96/56/679919656.db2.gz BDSQDTZDGROUNX-MGPQQGTHSA-N 2 1 352.435 -1.362 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011701 679920251 /nfs/dbraw/zinc/92/02/51/679920251.db2.gz CKZWCXVXZJPSEO-VXGBXAGGSA-N 2 1 351.407 -2.205 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011701 679920249 /nfs/dbraw/zinc/92/02/49/679920249.db2.gz CKZWCXVXZJPSEO-VXGBXAGGSA-N 2 1 351.407 -2.205 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011981 679919703 /nfs/dbraw/zinc/91/97/03/679919703.db2.gz QAJWMSSPLBZTIG-CHWSQXEVSA-N 2 1 350.419 -1.608 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011981 679919693 /nfs/dbraw/zinc/91/96/93/679919693.db2.gz QAJWMSSPLBZTIG-CHWSQXEVSA-N 2 1 350.419 -1.608 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174437 679933724 /nfs/dbraw/zinc/93/37/24/679933724.db2.gz LHELFELWBVACNX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174437 679933722 /nfs/dbraw/zinc/93/37/22/679933722.db2.gz LHELFELWBVACNX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174437 679933718 /nfs/dbraw/zinc/93/37/18/679933718.db2.gz LHELFELWBVACNX-JHJVBQTASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174438 679933955 /nfs/dbraw/zinc/93/39/55/679933955.db2.gz LHELFELWBVACNX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174438 679933951 /nfs/dbraw/zinc/93/39/51/679933951.db2.gz LHELFELWBVACNX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078174438 679933946 /nfs/dbraw/zinc/93/39/46/679933946.db2.gz LHELFELWBVACNX-YNEHKIRRSA-N 2 1 353.423 -1.959 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328820 680031081 /nfs/dbraw/zinc/03/10/81/680031081.db2.gz NFUUQHYNIKUWJJ-ZIAGYGMSSA-N 2 1 351.451 -1.077 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328820 680031076 /nfs/dbraw/zinc/03/10/76/680031076.db2.gz NFUUQHYNIKUWJJ-ZIAGYGMSSA-N 2 1 351.451 -1.077 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369327 680035985 /nfs/dbraw/zinc/03/59/85/680035985.db2.gz ITUKUBZZBKZSPO-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369327 680035981 /nfs/dbraw/zinc/03/59/81/680035981.db2.gz ITUKUBZZBKZSPO-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369327 680035978 /nfs/dbraw/zinc/03/59/78/680035978.db2.gz ITUKUBZZBKZSPO-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369327 680035973 /nfs/dbraw/zinc/03/59/73/680035973.db2.gz ITUKUBZZBKZSPO-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369328 680035608 /nfs/dbraw/zinc/03/56/08/680035608.db2.gz ITUKUBZZBKZSPO-YNEHKIRRSA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369328 680035603 /nfs/dbraw/zinc/03/56/03/680035603.db2.gz ITUKUBZZBKZSPO-YNEHKIRRSA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369328 680035599 /nfs/dbraw/zinc/03/55/99/680035599.db2.gz ITUKUBZZBKZSPO-YNEHKIRRSA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369328 680035593 /nfs/dbraw/zinc/03/55/93/680035593.db2.gz ITUKUBZZBKZSPO-YNEHKIRRSA-N 2 1 353.423 -1.695 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082370156 680035690 /nfs/dbraw/zinc/03/56/90/680035690.db2.gz UTTOHFUXRQKRDH-BFHYXJOUSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082370156 680035683 /nfs/dbraw/zinc/03/56/83/680035683.db2.gz UTTOHFUXRQKRDH-BFHYXJOUSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370156 680035677 /nfs/dbraw/zinc/03/56/77/680035677.db2.gz UTTOHFUXRQKRDH-BFHYXJOUSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370156 680035673 /nfs/dbraw/zinc/03/56/73/680035673.db2.gz UTTOHFUXRQKRDH-BFHYXJOUSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082370157 680035864 /nfs/dbraw/zinc/03/58/64/680035864.db2.gz UTTOHFUXRQKRDH-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082370157 680035858 /nfs/dbraw/zinc/03/58/58/680035858.db2.gz UTTOHFUXRQKRDH-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370157 680035853 /nfs/dbraw/zinc/03/58/53/680035853.db2.gz UTTOHFUXRQKRDH-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370157 680035846 /nfs/dbraw/zinc/03/58/46/680035846.db2.gz UTTOHFUXRQKRDH-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082448431 680039926 /nfs/dbraw/zinc/03/99/26/680039926.db2.gz PSYKAOMFYVHBKS-MCIONIFRSA-N 2 1 351.451 -1.525 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082448432 680039867 /nfs/dbraw/zinc/03/98/67/680039867.db2.gz PSYKAOMFYVHBKS-MGPQQGTHSA-N 2 1 351.451 -1.525 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082458486 680040823 /nfs/dbraw/zinc/04/08/23/680040823.db2.gz QWKMMLZWWHJGSK-KFWWJZLASA-N 2 1 354.451 -1.388 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082458486 680040819 /nfs/dbraw/zinc/04/08/19/680040819.db2.gz QWKMMLZWWHJGSK-KFWWJZLASA-N 2 1 354.451 -1.388 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082458487 680040715 /nfs/dbraw/zinc/04/07/15/680040715.db2.gz QWKMMLZWWHJGSK-RBSFLKMASA-N 2 1 354.451 -1.388 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082458487 680040714 /nfs/dbraw/zinc/04/07/14/680040714.db2.gz QWKMMLZWWHJGSK-RBSFLKMASA-N 2 1 354.451 -1.388 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082459221 680040584 /nfs/dbraw/zinc/04/05/84/680040584.db2.gz SOHRRLXTPINAIP-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082459221 680040579 /nfs/dbraw/zinc/04/05/79/680040579.db2.gz SOHRRLXTPINAIP-JHJVBQTASA-N 2 1 353.423 -1.695 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082459222 680040546 /nfs/dbraw/zinc/04/05/46/680040546.db2.gz SOHRRLXTPINAIP-UPJWGTAASA-N 2 1 353.423 -1.695 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082459222 680040542 /nfs/dbraw/zinc/04/05/42/680040542.db2.gz SOHRRLXTPINAIP-UPJWGTAASA-N 2 1 353.423 -1.695 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082459254 680040422 /nfs/dbraw/zinc/04/04/22/680040422.db2.gz VQBLHFFESISWKO-MCIONIFRSA-N 2 1 352.435 -1.098 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082459254 680040419 /nfs/dbraw/zinc/04/04/19/680040419.db2.gz VQBLHFFESISWKO-MCIONIFRSA-N 2 1 352.435 -1.098 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082459255 680040608 /nfs/dbraw/zinc/04/06/08/680040608.db2.gz VQBLHFFESISWKO-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082459255 680040602 /nfs/dbraw/zinc/04/06/02/680040602.db2.gz VQBLHFFESISWKO-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082808066 680046773 /nfs/dbraw/zinc/04/67/73/680046773.db2.gz SQSUNCPOLFQELZ-HZSPNIEDSA-N 2 1 352.435 -1.050 20 0 FAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082808067 680046637 /nfs/dbraw/zinc/04/66/37/680046637.db2.gz SQSUNCPOLFQELZ-MGPQQGTHSA-N 2 1 352.435 -1.050 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082920300 680048697 /nfs/dbraw/zinc/04/86/97/680048697.db2.gz YMEQXXYZUZZDFQ-HZSPNIEDSA-N 2 1 351.451 -1.667 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082920301 680048572 /nfs/dbraw/zinc/04/85/72/680048572.db2.gz YMEQXXYZUZZDFQ-MGPQQGTHSA-N 2 1 351.451 -1.667 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275077 679508382 /nfs/dbraw/zinc/50/83/82/679508382.db2.gz NJMYIBQWRGSIGJ-QLFBSQMISA-N 2 1 351.451 -1.125 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275077 679508379 /nfs/dbraw/zinc/50/83/79/679508379.db2.gz NJMYIBQWRGSIGJ-QLFBSQMISA-N 2 1 351.451 -1.125 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275077 679508377 /nfs/dbraw/zinc/50/83/77/679508377.db2.gz NJMYIBQWRGSIGJ-QLFBSQMISA-N 2 1 351.451 -1.125 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275077 679508374 /nfs/dbraw/zinc/50/83/74/679508374.db2.gz NJMYIBQWRGSIGJ-QLFBSQMISA-N 2 1 351.451 -1.125 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275078 679508916 /nfs/dbraw/zinc/50/89/16/679508916.db2.gz NJMYIBQWRGSIGJ-SOUVJXGZSA-N 2 1 351.451 -1.125 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275078 679508915 /nfs/dbraw/zinc/50/89/15/679508915.db2.gz NJMYIBQWRGSIGJ-SOUVJXGZSA-N 2 1 351.451 -1.125 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275078 679508914 /nfs/dbraw/zinc/50/89/14/679508914.db2.gz NJMYIBQWRGSIGJ-SOUVJXGZSA-N 2 1 351.451 -1.125 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]32)C1 ZINC001083275078 679508913 /nfs/dbraw/zinc/50/89/13/679508913.db2.gz NJMYIBQWRGSIGJ-SOUVJXGZSA-N 2 1 351.451 -1.125 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466116 679538644 /nfs/dbraw/zinc/53/86/44/679538644.db2.gz GZSYICVTLDWTNU-KFWWJZLASA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466116 679538642 /nfs/dbraw/zinc/53/86/42/679538642.db2.gz GZSYICVTLDWTNU-KFWWJZLASA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466117 679538486 /nfs/dbraw/zinc/53/84/86/679538486.db2.gz GZSYICVTLDWTNU-ZNMIVQPWSA-N 2 1 351.451 -1.485 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466117 679538484 /nfs/dbraw/zinc/53/84/84/679538484.db2.gz GZSYICVTLDWTNU-ZNMIVQPWSA-N 2 1 351.451 -1.485 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472473 679539102 /nfs/dbraw/zinc/53/91/02/679539102.db2.gz ZTKYYKHMRWYRDN-SYQHCUMBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472473 679539101 /nfs/dbraw/zinc/53/91/01/679539101.db2.gz ZTKYYKHMRWYRDN-SYQHCUMBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083472473 679539099 /nfs/dbraw/zinc/53/90/99/679539099.db2.gz ZTKYYKHMRWYRDN-SYQHCUMBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083472473 679539097 /nfs/dbraw/zinc/53/90/97/679539097.db2.gz ZTKYYKHMRWYRDN-SYQHCUMBSA-N 2 1 352.435 -1.363 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083473364 679539186 /nfs/dbraw/zinc/53/91/86/679539186.db2.gz XYXCHSGYEBBLFK-LPWJVIDDSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083473364 679539185 /nfs/dbraw/zinc/53/91/85/679539185.db2.gz XYXCHSGYEBBLFK-LPWJVIDDSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083473364 679539184 /nfs/dbraw/zinc/53/91/84/679539184.db2.gz XYXCHSGYEBBLFK-LPWJVIDDSA-N 2 1 353.423 -1.960 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083473364 679539182 /nfs/dbraw/zinc/53/91/82/679539182.db2.gz XYXCHSGYEBBLFK-LPWJVIDDSA-N 2 1 353.423 -1.960 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474819 679540122 /nfs/dbraw/zinc/54/01/22/679540122.db2.gz BUKCEGAERVICHW-YJNKXOJESA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474819 679540120 /nfs/dbraw/zinc/54/01/20/679540120.db2.gz BUKCEGAERVICHW-YJNKXOJESA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083474819 679540117 /nfs/dbraw/zinc/54/01/17/679540117.db2.gz BUKCEGAERVICHW-YJNKXOJESA-N 2 1 353.467 -1.097 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083474819 679540115 /nfs/dbraw/zinc/54/01/15/679540115.db2.gz BUKCEGAERVICHW-YJNKXOJESA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083726945 679622967 /nfs/dbraw/zinc/62/29/67/679622967.db2.gz CRNWZNYCAWJZRD-XQLPTFJDSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083726945 679622964 /nfs/dbraw/zinc/62/29/64/679622964.db2.gz CRNWZNYCAWJZRD-XQLPTFJDSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083726945 679622963 /nfs/dbraw/zinc/62/29/63/679622963.db2.gz CRNWZNYCAWJZRD-XQLPTFJDSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083726945 679622960 /nfs/dbraw/zinc/62/29/60/679622960.db2.gz CRNWZNYCAWJZRD-XQLPTFJDSA-N 2 1 353.467 -1.097 20 0 FAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083726945 679622956 /nfs/dbraw/zinc/62/29/56/679622956.db2.gz CRNWZNYCAWJZRD-XQLPTFJDSA-N 2 1 353.467 -1.097 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001083750023 679626007 /nfs/dbraw/zinc/62/60/07/679626007.db2.gz CAMPECBDXSKMOL-KGLIPLIRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001083750023 679626005 /nfs/dbraw/zinc/62/60/05/679626005.db2.gz CAMPECBDXSKMOL-KGLIPLIRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001083750074 679625991 /nfs/dbraw/zinc/62/59/91/679625991.db2.gz DVKHOAOZBYFZIH-OLZOCXBDSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001083750074 679625987 /nfs/dbraw/zinc/62/59/87/679625987.db2.gz DVKHOAOZBYFZIH-OLZOCXBDSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001083750180 679625912 /nfs/dbraw/zinc/62/59/12/679625912.db2.gz IZYGWKOYWSMWPZ-OAGGEKHMSA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001083750181 679625866 /nfs/dbraw/zinc/62/58/66/679625866.db2.gz IZYGWKOYWSMWPZ-XHSDSOJGSA-N 2 1 351.451 -1.253 20 0 FAADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779360 679894980 /nfs/dbraw/zinc/89/49/80/679894980.db2.gz YCAAAAUMDZDHJN-UPJWGTAASA-N 2 1 353.423 -1.816 20 0 FAADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779361 679895027 /nfs/dbraw/zinc/89/50/27/679895027.db2.gz YCAAAAUMDZDHJN-XQQFMLRXSA-N 2 1 353.423 -1.816 20 0 FAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083833829 679953129 /nfs/dbraw/zinc/95/31/29/679953129.db2.gz XUCAOSVVSGZGJI-CABCVRRESA-N 2 1 353.467 -1.095 20 0 FAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083833829 679953124 /nfs/dbraw/zinc/95/31/24/679953124.db2.gz XUCAOSVVSGZGJI-CABCVRRESA-N 2 1 353.467 -1.095 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954653 680063403 /nfs/dbraw/zinc/06/34/03/680063403.db2.gz BDSQDTZDGROUNX-MCIONIFRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954653 680063396 /nfs/dbraw/zinc/06/33/96/680063396.db2.gz BDSQDTZDGROUNX-MCIONIFRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954653 680063389 /nfs/dbraw/zinc/06/33/89/680063389.db2.gz BDSQDTZDGROUNX-MCIONIFRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954653 680063383 /nfs/dbraw/zinc/06/33/83/680063383.db2.gz BDSQDTZDGROUNX-MCIONIFRSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954654 680063552 /nfs/dbraw/zinc/06/35/52/680063552.db2.gz BDSQDTZDGROUNX-MJBXVCDLSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954654 680063544 /nfs/dbraw/zinc/06/35/44/680063544.db2.gz BDSQDTZDGROUNX-MJBXVCDLSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954654 680063536 /nfs/dbraw/zinc/06/35/36/680063536.db2.gz BDSQDTZDGROUNX-MJBXVCDLSA-N 2 1 352.435 -1.362 20 0 FAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083954654 680063528 /nfs/dbraw/zinc/06/35/28/680063528.db2.gz BDSQDTZDGROUNX-MJBXVCDLSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954783 680063805 /nfs/dbraw/zinc/06/38/05/680063805.db2.gz IMQDZRCUZHUCIX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954783 680063800 /nfs/dbraw/zinc/06/38/00/680063800.db2.gz IMQDZRCUZHUCIX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954783 680063794 /nfs/dbraw/zinc/06/37/94/680063794.db2.gz IMQDZRCUZHUCIX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954783 680063789 /nfs/dbraw/zinc/06/37/89/680063789.db2.gz IMQDZRCUZHUCIX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954784 680063855 /nfs/dbraw/zinc/06/38/55/680063855.db2.gz IMQDZRCUZHUCIX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954784 680063850 /nfs/dbraw/zinc/06/38/50/680063850.db2.gz IMQDZRCUZHUCIX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954784 680063845 /nfs/dbraw/zinc/06/38/45/680063845.db2.gz IMQDZRCUZHUCIX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083954784 680063843 /nfs/dbraw/zinc/06/38/43/680063843.db2.gz IMQDZRCUZHUCIX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957850 680063708 /nfs/dbraw/zinc/06/37/08/680063708.db2.gz QAJWMSSPLBZTIG-OLZOCXBDSA-N 2 1 350.419 -1.608 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957850 680063702 /nfs/dbraw/zinc/06/37/02/680063702.db2.gz QAJWMSSPLBZTIG-OLZOCXBDSA-N 2 1 350.419 -1.608 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959051 680064643 /nfs/dbraw/zinc/06/46/43/680064643.db2.gz CKZWCXVXZJPSEO-NEPJUHHUSA-N 2 1 351.407 -2.205 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959051 680064640 /nfs/dbraw/zinc/06/46/40/680064640.db2.gz CKZWCXVXZJPSEO-NEPJUHHUSA-N 2 1 351.407 -2.205 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053792 790605039 /nfs/dbraw/zinc/60/50/39/790605039.db2.gz LHELFELWBVACNX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053792 790605031 /nfs/dbraw/zinc/60/50/31/790605031.db2.gz LHELFELWBVACNX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053792 790605020 /nfs/dbraw/zinc/60/50/20/790605020.db2.gz LHELFELWBVACNX-UPJWGTAASA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053793 790605288 /nfs/dbraw/zinc/60/52/88/790605288.db2.gz LHELFELWBVACNX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053793 790605284 /nfs/dbraw/zinc/60/52/84/790605284.db2.gz LHELFELWBVACNX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084053793 790605276 /nfs/dbraw/zinc/60/52/76/790605276.db2.gz LHELFELWBVACNX-XQQFMLRXSA-N 2 1 353.423 -1.959 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001086120140 790665011 /nfs/dbraw/zinc/66/50/11/790665011.db2.gz MUPLAHZBDAILIE-PEBLQZBPSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001086120140 790665001 /nfs/dbraw/zinc/66/50/01/790665001.db2.gz MUPLAHZBDAILIE-PEBLQZBPSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001086120141 790665593 /nfs/dbraw/zinc/66/55/93/790665593.db2.gz MUPLAHZBDAILIE-RKQHYHRCSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001086120141 790665588 /nfs/dbraw/zinc/66/55/88/790665588.db2.gz MUPLAHZBDAILIE-RKQHYHRCSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001086400570 790668261 /nfs/dbraw/zinc/66/82/61/790668261.db2.gz MUPLAHZBDAILIE-DHGKCCLASA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001086400570 790668255 /nfs/dbraw/zinc/66/82/55/790668255.db2.gz MUPLAHZBDAILIE-DHGKCCLASA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001086400571 790668439 /nfs/dbraw/zinc/66/84/39/790668439.db2.gz MUPLAHZBDAILIE-XGFWRYKXSA-N 2 1 352.435 -1.005 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001086400571 790668435 /nfs/dbraw/zinc/66/84/35/790668435.db2.gz MUPLAHZBDAILIE-XGFWRYKXSA-N 2 1 352.435 -1.005 20 0 FAADMP CNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404203 790664250 /nfs/dbraw/zinc/66/42/50/790664250.db2.gz HUZZIHCSGSNDAG-UKRRQHHQSA-N 2 1 356.467 -1.263 20 0 FAADMP CNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404203 790664244 /nfs/dbraw/zinc/66/42/44/790664244.db2.gz HUZZIHCSGSNDAG-UKRRQHHQSA-N 2 1 356.467 -1.263 20 0 FAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404203 790664238 /nfs/dbraw/zinc/66/42/38/790664238.db2.gz HUZZIHCSGSNDAG-UKRRQHHQSA-N 2 1 356.467 -1.263 20 0 FAADMP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404203 790664232 /nfs/dbraw/zinc/66/42/32/790664232.db2.gz HUZZIHCSGSNDAG-UKRRQHHQSA-N 2 1 356.467 -1.263 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437853 792593528 /nfs/dbraw/zinc/59/35/28/792593528.db2.gz BZJMCWXQQGVNGQ-IKWCTNDRSA-N 2 1 355.439 -1.355 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437853 792593520 /nfs/dbraw/zinc/59/35/20/792593520.db2.gz BZJMCWXQQGVNGQ-IKWCTNDRSA-N 2 1 355.439 -1.355 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001100438032 792593654 /nfs/dbraw/zinc/59/36/54/792593654.db2.gz MADUAUDLWDVONE-BLYZHGLHSA-N 2 1 362.496 -1.261 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001100438032 792593648 /nfs/dbraw/zinc/59/36/48/792593648.db2.gz MADUAUDLWDVONE-BLYZHGLHSA-N 2 1 362.496 -1.261 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101432444 792606191 /nfs/dbraw/zinc/60/61/91/792606191.db2.gz RYIIFBHXHFXSLV-WBMJQRKESA-N 2 1 355.439 -1.460 20 0 FAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844211 792612417 /nfs/dbraw/zinc/61/24/17/792612417.db2.gz QGSQTQJYCCNZJI-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844211 792612412 /nfs/dbraw/zinc/61/24/12/792612412.db2.gz QGSQTQJYCCNZJI-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844211 792612406 /nfs/dbraw/zinc/61/24/06/792612406.db2.gz QGSQTQJYCCNZJI-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844211 792612395 /nfs/dbraw/zinc/61/23/95/792612395.db2.gz QGSQTQJYCCNZJI-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844212 792611603 /nfs/dbraw/zinc/61/16/03/792611603.db2.gz QGSQTQJYCCNZJI-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844212 792611599 /nfs/dbraw/zinc/61/15/99/792611599.db2.gz QGSQTQJYCCNZJI-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844212 792611595 /nfs/dbraw/zinc/61/15/95/792611595.db2.gz QGSQTQJYCCNZJI-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844212 792611587 /nfs/dbraw/zinc/61/15/87/792611587.db2.gz QGSQTQJYCCNZJI-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102079171 792621228 /nfs/dbraw/zinc/62/12/28/792621228.db2.gz YOXCWIYIBWAKAK-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102079171 792621221 /nfs/dbraw/zinc/62/12/21/792621221.db2.gz YOXCWIYIBWAKAK-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079171 792621218 /nfs/dbraw/zinc/62/12/18/792621218.db2.gz YOXCWIYIBWAKAK-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079171 792621209 /nfs/dbraw/zinc/62/12/09/792621209.db2.gz YOXCWIYIBWAKAK-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318633 792630969 /nfs/dbraw/zinc/63/09/69/792630969.db2.gz BTHJWXIKTPLTKZ-ZIAGYGMSSA-N 2 1 353.467 -1.419 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102467884 792635226 /nfs/dbraw/zinc/63/52/26/792635226.db2.gz YIEGVHSOAGEMCZ-CHWSQXEVSA-N 2 1 355.439 -1.412 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102467884 792635222 /nfs/dbraw/zinc/63/52/22/792635222.db2.gz YIEGVHSOAGEMCZ-CHWSQXEVSA-N 2 1 355.439 -1.412 20 0 FAADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511194 792637187 /nfs/dbraw/zinc/63/71/87/792637187.db2.gz NFQGCJHAGLDQKQ-CHWSQXEVSA-N 2 1 354.455 -1.129 20 0 FAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511406 792637994 /nfs/dbraw/zinc/63/79/94/792637994.db2.gz WBZQRJPETOYULF-CHWSQXEVSA-N 2 1 357.455 -1.296 20 0 FAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513467 792638061 /nfs/dbraw/zinc/63/80/61/792638061.db2.gz LWHDQZXYPOEMST-ZIAGYGMSSA-N 2 1 364.512 -1.202 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514306 792637891 /nfs/dbraw/zinc/63/78/91/792637891.db2.gz TVUSKHAYMOMWFN-FRRDWIJNSA-N 2 1 357.455 -1.168 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514307 792637808 /nfs/dbraw/zinc/63/78/08/792637808.db2.gz TVUSKHAYMOMWFN-JHJVBQTASA-N 2 1 357.455 -1.168 20 0 FAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588717 792642899 /nfs/dbraw/zinc/64/28/99/792642899.db2.gz KOTXNKLVIYAIJZ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588717 792642894 /nfs/dbraw/zinc/64/28/94/792642894.db2.gz KOTXNKLVIYAIJZ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588717 792642887 /nfs/dbraw/zinc/64/28/87/792642887.db2.gz KOTXNKLVIYAIJZ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588717 792642879 /nfs/dbraw/zinc/64/28/79/792642879.db2.gz KOTXNKLVIYAIJZ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588718 792643663 /nfs/dbraw/zinc/64/36/63/792643663.db2.gz KOTXNKLVIYAIJZ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588718 792643658 /nfs/dbraw/zinc/64/36/58/792643658.db2.gz KOTXNKLVIYAIJZ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588718 792643654 /nfs/dbraw/zinc/64/36/54/792643654.db2.gz KOTXNKLVIYAIJZ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102588718 792643650 /nfs/dbraw/zinc/64/36/50/792643650.db2.gz KOTXNKLVIYAIJZ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102818808 792645560 /nfs/dbraw/zinc/64/55/60/792645560.db2.gz IARPHQFBQNSNIJ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102818808 792645552 /nfs/dbraw/zinc/64/55/52/792645552.db2.gz IARPHQFBQNSNIJ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818808 792645539 /nfs/dbraw/zinc/64/55/39/792645539.db2.gz IARPHQFBQNSNIJ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818808 792645536 /nfs/dbraw/zinc/64/55/36/792645536.db2.gz IARPHQFBQNSNIJ-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102818809 792646179 /nfs/dbraw/zinc/64/61/79/792646179.db2.gz IARPHQFBQNSNIJ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102818809 792646170 /nfs/dbraw/zinc/64/61/70/792646170.db2.gz IARPHQFBQNSNIJ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818809 792646141 /nfs/dbraw/zinc/64/61/41/792646141.db2.gz IARPHQFBQNSNIJ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818809 792646136 /nfs/dbraw/zinc/64/61/36/792646136.db2.gz IARPHQFBQNSNIJ-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641837 792652558 /nfs/dbraw/zinc/65/25/58/792652558.db2.gz GGWFFDQAAYOCSZ-CHWSQXEVSA-N 2 1 357.455 -1.166 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104034122 792655968 /nfs/dbraw/zinc/65/59/68/792655968.db2.gz SZIQIHULFQXDPE-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104034122 792655961 /nfs/dbraw/zinc/65/59/61/792655961.db2.gz SZIQIHULFQXDPE-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104034123 792656042 /nfs/dbraw/zinc/65/60/42/792656042.db2.gz SZIQIHULFQXDPE-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104034123 792656037 /nfs/dbraw/zinc/65/60/37/792656037.db2.gz SZIQIHULFQXDPE-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974227 790425371 /nfs/dbraw/zinc/42/53/71/790425371.db2.gz RHDYMBGXXBDQHN-JHJVBQTASA-N 2 1 355.439 -1.543 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974227 790425366 /nfs/dbraw/zinc/42/53/66/790425366.db2.gz RHDYMBGXXBDQHN-JHJVBQTASA-N 2 1 355.439 -1.543 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974228 790425415 /nfs/dbraw/zinc/42/54/15/790425415.db2.gz RHDYMBGXXBDQHN-UPJWGTAASA-N 2 1 355.439 -1.543 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974228 790425414 /nfs/dbraw/zinc/42/54/14/790425414.db2.gz RHDYMBGXXBDQHN-UPJWGTAASA-N 2 1 355.439 -1.543 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105974553 790425461 /nfs/dbraw/zinc/42/54/61/790425461.db2.gz ZVSNPVSQKADNIP-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105974553 790425455 /nfs/dbraw/zinc/42/54/55/790425455.db2.gz ZVSNPVSQKADNIP-MCIONIFRSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105974554 790425337 /nfs/dbraw/zinc/42/53/37/790425337.db2.gz ZVSNPVSQKADNIP-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105974554 790425327 /nfs/dbraw/zinc/42/53/27/790425327.db2.gz ZVSNPVSQKADNIP-MGPQQGTHSA-N 2 1 362.496 -1.450 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106310784 790453062 /nfs/dbraw/zinc/45/30/62/790453062.db2.gz YJSPEYIBVHOLLZ-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106310784 790453054 /nfs/dbraw/zinc/45/30/54/790453054.db2.gz YJSPEYIBVHOLLZ-FDYHWXHSSA-N 2 1 355.439 -1.416 20 0 FAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106766710 790468182 /nfs/dbraw/zinc/46/81/82/790468182.db2.gz QQRUZVPWRILNHL-CHWSQXEVSA-N 2 1 355.439 -1.412 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001107008978 790492674 /nfs/dbraw/zinc/49/26/74/790492674.db2.gz GBEVNJIXYCUITC-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001107008978 790492664 /nfs/dbraw/zinc/49/26/64/790492664.db2.gz GBEVNJIXYCUITC-JHJVBQTASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001107008979 790492825 /nfs/dbraw/zinc/49/28/25/790492825.db2.gz GBEVNJIXYCUITC-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001107008979 790492821 /nfs/dbraw/zinc/49/28/21/790492821.db2.gz GBEVNJIXYCUITC-UPJWGTAASA-N 2 1 355.439 -1.414 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111937897 792663531 /nfs/dbraw/zinc/66/35/31/792663531.db2.gz AOTASRAFOFDMRJ-LRDDRELGSA-N 2 1 355.439 -1.270 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111937897 792663525 /nfs/dbraw/zinc/66/35/25/792663525.db2.gz AOTASRAFOFDMRJ-LRDDRELGSA-N 2 1 355.439 -1.270 20 0 FAADMP CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114454292 792491245 /nfs/dbraw/zinc/49/12/45/792491245.db2.gz ZUSKHZVWOVLDGA-DIACKHNESA-N 2 1 353.423 -1.793 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CC[NH+](C)CC2)cn1 ZINC001116149386 792677250 /nfs/dbraw/zinc/67/72/50/792677250.db2.gz KYZAPXGRZYQLNE-UHFFFAOYSA-N 2 1 351.455 -1.253 20 0 FAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC001117051510 792702609 /nfs/dbraw/zinc/70/26/09/792702609.db2.gz QRPBJUNEDGFTKQ-UHFFFAOYSA-N 2 1 357.455 -1.993 20 0 FAADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001117980621 792746133 /nfs/dbraw/zinc/74/61/33/792746133.db2.gz JQVPCJPLGGGQIX-KBPBESRZSA-N 2 1 353.467 -1.134 20 0 FAADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001117980622 792746064 /nfs/dbraw/zinc/74/60/64/792746064.db2.gz JQVPCJPLGGGQIX-KGLIPLIRSA-N 2 1 353.467 -1.134 20 0 FAADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001117980623 792745842 /nfs/dbraw/zinc/74/58/42/792745842.db2.gz JQVPCJPLGGGQIX-UONOGXRCSA-N 2 1 353.467 -1.134 20 0 FAADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001117980624 792745964 /nfs/dbraw/zinc/74/59/64/792745964.db2.gz JQVPCJPLGGGQIX-ZIAGYGMSSA-N 2 1 353.467 -1.134 20 0 FAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118134386 792748497 /nfs/dbraw/zinc/74/84/97/792748497.db2.gz QPEKGZREIAUYLV-CABCVRRESA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118134387 792748469 /nfs/dbraw/zinc/74/84/69/792748469.db2.gz QPEKGZREIAUYLV-GJZGRUSLSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118134388 792748821 /nfs/dbraw/zinc/74/88/21/792748821.db2.gz QPEKGZREIAUYLV-HUUCEWRRSA-N 2 1 353.467 -1.623 20 0 FAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118134389 792748624 /nfs/dbraw/zinc/74/86/24/792748624.db2.gz QPEKGZREIAUYLV-LSDHHAIUSA-N 2 1 353.467 -1.623 20 0 FAADMP CS(=O)(=O)C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001118203180 792753717 /nfs/dbraw/zinc/75/37/17/792753717.db2.gz DUXFIWGQHYCPLI-CYBMUJFWSA-N 2 1 372.491 -1.424 20 0 FAADMP CS(=O)(=O)C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001118203181 792753733 /nfs/dbraw/zinc/75/37/33/792753733.db2.gz DUXFIWGQHYCPLI-ZDUSSCGKSA-N 2 1 372.491 -1.424 20 0 FAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001118327666 792762510 /nfs/dbraw/zinc/76/25/10/792762510.db2.gz CRBFBYRPYGGYBC-CYBMUJFWSA-N 2 1 353.467 -1.065 20 0 FAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001118327670 792762371 /nfs/dbraw/zinc/76/23/71/792762371.db2.gz CRBFBYRPYGGYBC-ZDUSSCGKSA-N 2 1 353.467 -1.065 20 0 FAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118485679 792771101 /nfs/dbraw/zinc/77/11/01/792771101.db2.gz FZLUYTVQMPFSMI-AWEZNQCLSA-N 2 1 355.483 -1.295 20 0 FAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118485680 792771484 /nfs/dbraw/zinc/77/14/84/792771484.db2.gz FZLUYTVQMPFSMI-CQSZACIVSA-N 2 1 355.483 -1.295 20 0 FAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001118545701 792774899 /nfs/dbraw/zinc/77/48/99/792774899.db2.gz NRWLTHSTIPNPNB-UHFFFAOYSA-N 2 1 351.411 -1.396 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC001118861281 792791738 /nfs/dbraw/zinc/79/17/38/792791738.db2.gz DJCZVIFYGPUZIJ-UHFFFAOYSA-N 2 1 357.455 -1.911 20 0 FAADMP O=C(CCCC(=O)NCC[N@@H+]1CC[C@H](O)C1)NCC[NH+]1CC[C@H](O)C1 ZINC001118963779 792800947 /nfs/dbraw/zinc/80/09/47/792800947.db2.gz XGBTZTCZQCFBDD-GJZGRUSLSA-N 2 1 356.467 -1.478 20 0 FAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118994297 792801546 /nfs/dbraw/zinc/80/15/46/792801546.db2.gz STKBUKXGENVKSO-UHFFFAOYSA-N 2 1 350.485 -1.306 20 0 FAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118994297 792801536 /nfs/dbraw/zinc/80/15/36/792801536.db2.gz STKBUKXGENVKSO-UHFFFAOYSA-N 2 1 350.485 -1.306 20 0 FAADMP C[S@](=O)C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001119237128 792807969 /nfs/dbraw/zinc/80/79/69/792807969.db2.gz PWVDCYLATDHXTE-OZAJXLCCSA-N 2 1 356.492 -1.090 20 0 FAADMP C[S@@](=O)C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001119237129 792808494 /nfs/dbraw/zinc/80/84/94/792808494.db2.gz PWVDCYLATDHXTE-RKNYENMMSA-N 2 1 356.492 -1.090 20 0 FAADMP C[S@](=O)C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001119237130 792808461 /nfs/dbraw/zinc/80/84/61/792808461.db2.gz PWVDCYLATDHXTE-RZFZLAGVSA-N 2 1 356.492 -1.090 20 0 FAADMP C[S@@](=O)C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]CC1 ZINC001119237131 792808439 /nfs/dbraw/zinc/80/84/39/792808439.db2.gz PWVDCYLATDHXTE-YEBMWUKDSA-N 2 1 356.492 -1.090 20 0 FAADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CNC(=O)CN2CCC[NH2+]CC2)nn1 ZINC001119281152 792808014 /nfs/dbraw/zinc/80/80/14/792808014.db2.gz BOGQWFDEHWJKQU-HNNXBMFYSA-N 2 1 353.471 -1.498 20 0 FAADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CNC(=O)CN2CCC[NH2+]CC2)nn1 ZINC001119281153 792808522 /nfs/dbraw/zinc/80/85/22/792808522.db2.gz BOGQWFDEHWJKQU-OAHLLOKOSA-N 2 1 353.471 -1.498 20 0 FAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424444 792809841 /nfs/dbraw/zinc/80/98/41/792809841.db2.gz WQTXNEOYIQHLOL-GJZGRUSLSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424444 792809834 /nfs/dbraw/zinc/80/98/34/792809834.db2.gz WQTXNEOYIQHLOL-GJZGRUSLSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424445 792809703 /nfs/dbraw/zinc/80/97/03/792809703.db2.gz WQTXNEOYIQHLOL-LSDHHAIUSA-N 2 1 355.483 -1.247 20 0 FAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424445 792809690 /nfs/dbraw/zinc/80/96/90/792809690.db2.gz WQTXNEOYIQHLOL-LSDHHAIUSA-N 2 1 355.483 -1.247 20 0 FAADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684485 792812853 /nfs/dbraw/zinc/81/28/53/792812853.db2.gz YTGLPDJXNFTPBO-CABCVRRESA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684485 792812849 /nfs/dbraw/zinc/81/28/49/792812849.db2.gz YTGLPDJXNFTPBO-CABCVRRESA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684486 792812560 /nfs/dbraw/zinc/81/25/60/792812560.db2.gz YTGLPDJXNFTPBO-GJZGRUSLSA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684486 792812547 /nfs/dbraw/zinc/81/25/47/792812547.db2.gz YTGLPDJXNFTPBO-GJZGRUSLSA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684487 792812677 /nfs/dbraw/zinc/81/26/77/792812677.db2.gz YTGLPDJXNFTPBO-HUUCEWRRSA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684487 792812664 /nfs/dbraw/zinc/81/26/64/792812664.db2.gz YTGLPDJXNFTPBO-HUUCEWRRSA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684488 792812983 /nfs/dbraw/zinc/81/29/83/792812983.db2.gz YTGLPDJXNFTPBO-LSDHHAIUSA-N 2 1 358.508 -1.012 20 0 FAADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001119684488 792812973 /nfs/dbraw/zinc/81/29/73/792812973.db2.gz YTGLPDJXNFTPBO-LSDHHAIUSA-N 2 1 358.508 -1.012 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001119691356 792812518 /nfs/dbraw/zinc/81/25/18/792812518.db2.gz XEOMHEGSYYVLQS-AWEZNQCLSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001119691356 792812516 /nfs/dbraw/zinc/81/25/16/792812516.db2.gz XEOMHEGSYYVLQS-AWEZNQCLSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001119691358 792812410 /nfs/dbraw/zinc/81/24/10/792812410.db2.gz XEOMHEGSYYVLQS-CQSZACIVSA-N 2 1 353.467 -1.134 20 0 FAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001119691358 792812401 /nfs/dbraw/zinc/81/24/01/792812401.db2.gz XEOMHEGSYYVLQS-CQSZACIVSA-N 2 1 353.467 -1.134 20 0 FAADMP CN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724166 792813996 /nfs/dbraw/zinc/81/39/96/792813996.db2.gz SSNKCLFXHHZKGX-CABCVRRESA-N 2 1 353.467 -1.671 20 0 FAADMP CN1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724168 792813513 /nfs/dbraw/zinc/81/35/13/792813513.db2.gz SSNKCLFXHHZKGX-GJZGRUSLSA-N 2 1 353.467 -1.671 20 0 FAADMP CN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724169 792813689 /nfs/dbraw/zinc/81/36/89/792813689.db2.gz SSNKCLFXHHZKGX-HUUCEWRRSA-N 2 1 353.467 -1.671 20 0 FAADMP CN1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724171 792814204 /nfs/dbraw/zinc/81/42/04/792814204.db2.gz SSNKCLFXHHZKGX-LSDHHAIUSA-N 2 1 353.467 -1.671 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001120419625 792821915 /nfs/dbraw/zinc/82/19/15/792821915.db2.gz VVMPNXFDAGOUGL-BFHYXJOUSA-N 2 1 351.451 -1.336 20 0 FAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120515892 792825216 /nfs/dbraw/zinc/82/52/16/792825216.db2.gz WCLUUCXSVVMIBF-GJZGRUSLSA-N 2 1 353.467 -1.541 20 0 FAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120515893 792824595 /nfs/dbraw/zinc/82/45/95/792824595.db2.gz WCLUUCXSVVMIBF-LSDHHAIUSA-N 2 1 353.467 -1.541 20 0 FAADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC001120516401 792824633 /nfs/dbraw/zinc/82/46/33/792824633.db2.gz DSEKKUONOMYTID-CHWSQXEVSA-N 2 1 353.467 -1.292 20 0 FAADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122015564 792827426 /nfs/dbraw/zinc/82/74/26/792827426.db2.gz PVGAERFRSGOMIN-XEZPLFJOSA-N 2 1 370.475 -1.957 20 0 FAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122015566 792827955 /nfs/dbraw/zinc/82/79/55/792827955.db2.gz PVGAERFRSGOMIN-ZENOOKHLSA-N 2 1 370.475 -1.957 20 0 FAADMP O=C(c1ccc2c(n1)C[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122071146 792828648 /nfs/dbraw/zinc/82/86/48/792828648.db2.gz QIPFVCFBDPJPNA-UHFFFAOYSA-N 2 1 365.459 -1.213 20 0 FAADMP COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643660 790487682 /nfs/dbraw/zinc/48/76/82/790487682.db2.gz FTGSWCMFTYFNKW-ZIAGYGMSSA-N 2 1 364.512 -1.012 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC001127643785 790487865 /nfs/dbraw/zinc/48/78/65/790487865.db2.gz LJLNCSUECASLOM-TZMCWYRMSA-N 2 1 353.467 -1.244 20 0 FAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001127643867 790487830 /nfs/dbraw/zinc/48/78/30/790487830.db2.gz PAIAQTSXMDTWKR-UKRRQHHQSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC001127652853 790487419 /nfs/dbraw/zinc/48/74/19/790487419.db2.gz FTDHACICCQKZTC-HZSPNIEDSA-N 2 1 353.467 -1.244 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC001127652854 790487113 /nfs/dbraw/zinc/48/71/13/790487113.db2.gz FTDHACICCQKZTC-MGPQQGTHSA-N 2 1 353.467 -1.244 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC001127659406 790487283 /nfs/dbraw/zinc/48/72/83/790487283.db2.gz ACAZQXXFMBJEIT-ZIAGYGMSSA-N 2 1 353.467 -1.229 20 0 FAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660268 790487181 /nfs/dbraw/zinc/48/71/81/790487181.db2.gz TWKVPRALMITKTQ-JHJVBQTASA-N 2 1 357.455 -1.107 20 0 FAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660272 790487621 /nfs/dbraw/zinc/48/76/21/790487621.db2.gz TWKVPRALMITKTQ-YNEHKIRRSA-N 2 1 357.455 -1.107 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001127701254 790489033 /nfs/dbraw/zinc/48/90/33/790489033.db2.gz LVTGGLGEVFDOMD-HZSPNIEDSA-N 2 1 354.451 -1.068 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001127701255 790489074 /nfs/dbraw/zinc/48/90/74/790489074.db2.gz LVTGGLGEVFDOMD-MELADBBJSA-N 2 1 354.451 -1.068 20 0 FAADMP CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830368 790556212 /nfs/dbraw/zinc/55/62/12/790556212.db2.gz QQXMPDMZSHFPON-ILXRZTDVSA-N 2 1 352.439 -1.277 20 0 FAADMP CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830369 790556276 /nfs/dbraw/zinc/55/62/76/790556276.db2.gz QQXMPDMZSHFPON-KFWWJZLASA-N 2 1 352.439 -1.277 20 0 FAADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557548 /nfs/dbraw/zinc/55/75/48/790557548.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557542 /nfs/dbraw/zinc/55/75/42/790557542.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557227 /nfs/dbraw/zinc/55/72/27/790557227.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557224 /nfs/dbraw/zinc/55/72/24/790557224.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP COCCCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557358 /nfs/dbraw/zinc/55/73/58/790557358.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557351 /nfs/dbraw/zinc/55/73/51/790557351.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP COCCCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557278 /nfs/dbraw/zinc/55/72/78/790557278.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557273 /nfs/dbraw/zinc/55/72/73/790557273.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065023 790566232 /nfs/dbraw/zinc/56/62/32/790566232.db2.gz QTIUGLRSYIHZNP-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065023 790566227 /nfs/dbraw/zinc/56/62/27/790566227.db2.gz QTIUGLRSYIHZNP-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065547 790565814 /nfs/dbraw/zinc/56/58/14/790565814.db2.gz YJNZZYRXSHDTFD-TUVASFSCSA-N 2 1 354.455 -1.033 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065547 790565810 /nfs/dbraw/zinc/56/58/10/790565810.db2.gz YJNZZYRXSHDTFD-TUVASFSCSA-N 2 1 354.455 -1.033 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065548 790566340 /nfs/dbraw/zinc/56/63/40/790566340.db2.gz YJNZZYRXSHDTFD-YJNKXOJESA-N 2 1 354.455 -1.033 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065548 790566332 /nfs/dbraw/zinc/56/63/32/790566332.db2.gz YJNZZYRXSHDTFD-YJNKXOJESA-N 2 1 354.455 -1.033 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129205331 790570239 /nfs/dbraw/zinc/57/02/39/790570239.db2.gz UGSHYAPQMXRAIP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129205331 790570232 /nfs/dbraw/zinc/57/02/32/790570232.db2.gz UGSHYAPQMXRAIP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205645 790569990 /nfs/dbraw/zinc/56/99/90/790569990.db2.gz ZOIODHDPQGWKFT-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205646 790570152 /nfs/dbraw/zinc/57/01/52/790570152.db2.gz ZOIODHDPQGWKFT-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271827 790572110 /nfs/dbraw/zinc/57/21/10/790572110.db2.gz QTIUGLRSYIHZNP-ILXRZTDVSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129272136 790572083 /nfs/dbraw/zinc/57/20/83/790572083.db2.gz YJNZZYRXSHDTFD-KBXIAJHMSA-N 2 1 354.455 -1.033 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129272140 790572254 /nfs/dbraw/zinc/57/22/54/790572254.db2.gz YJNZZYRXSHDTFD-XGUBFFRZSA-N 2 1 354.455 -1.033 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129333858 790702615 /nfs/dbraw/zinc/70/26/15/790702615.db2.gz TVCACSPGOWREAH-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129333858 790702607 /nfs/dbraw/zinc/70/26/07/790702607.db2.gz TVCACSPGOWREAH-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129333861 790702587 /nfs/dbraw/zinc/70/25/87/790702587.db2.gz TVCACSPGOWREAH-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129333861 790702580 /nfs/dbraw/zinc/70/25/80/790702580.db2.gz TVCACSPGOWREAH-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129337849 790703815 /nfs/dbraw/zinc/70/38/15/790703815.db2.gz ZZJWXGSCHYYITF-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129337849 790703808 /nfs/dbraw/zinc/70/38/08/790703808.db2.gz ZZJWXGSCHYYITF-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129348125 790705245 /nfs/dbraw/zinc/70/52/45/790705245.db2.gz LCKGWEILCKOVHB-CABCVRRESA-N 2 1 352.439 -1.277 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129348125 790705237 /nfs/dbraw/zinc/70/52/37/790705237.db2.gz LCKGWEILCKOVHB-CABCVRRESA-N 2 1 352.439 -1.277 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129370130 790706560 /nfs/dbraw/zinc/70/65/60/790706560.db2.gz OSUXUTFKRNSZTP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129370130 790706556 /nfs/dbraw/zinc/70/65/56/790706556.db2.gz OSUXUTFKRNSZTP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129370130 790706551 /nfs/dbraw/zinc/70/65/51/790706551.db2.gz OSUXUTFKRNSZTP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129370130 790706544 /nfs/dbraw/zinc/70/65/44/790706544.db2.gz OSUXUTFKRNSZTP-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370404 790706136 /nfs/dbraw/zinc/70/61/36/790706136.db2.gz RTOOCLIEEYOBOR-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370404 790706127 /nfs/dbraw/zinc/70/61/27/790706127.db2.gz RTOOCLIEEYOBOR-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370404 790706123 /nfs/dbraw/zinc/70/61/23/790706123.db2.gz RTOOCLIEEYOBOR-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370405 790706501 /nfs/dbraw/zinc/70/65/01/790706501.db2.gz RTOOCLIEEYOBOR-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370405 790706496 /nfs/dbraw/zinc/70/64/96/790706496.db2.gz RTOOCLIEEYOBOR-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129370405 790706490 /nfs/dbraw/zinc/70/64/90/790706490.db2.gz RTOOCLIEEYOBOR-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407765 790757782 /nfs/dbraw/zinc/75/77/82/790757782.db2.gz WGKDHHKPUFATFL-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407765 790757773 /nfs/dbraw/zinc/75/77/73/790757773.db2.gz WGKDHHKPUFATFL-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407765 790757766 /nfs/dbraw/zinc/75/77/66/790757766.db2.gz WGKDHHKPUFATFL-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407765 790757756 /nfs/dbraw/zinc/75/77/56/790757756.db2.gz WGKDHHKPUFATFL-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407766 790757844 /nfs/dbraw/zinc/75/78/44/790757844.db2.gz WGKDHHKPUFATFL-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407766 790757837 /nfs/dbraw/zinc/75/78/37/790757837.db2.gz WGKDHHKPUFATFL-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407766 790757828 /nfs/dbraw/zinc/75/78/28/790757828.db2.gz WGKDHHKPUFATFL-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129407766 790757819 /nfs/dbraw/zinc/75/78/19/790757819.db2.gz WGKDHHKPUFATFL-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129407981 790757354 /nfs/dbraw/zinc/75/73/54/790757354.db2.gz ZEHLZSYEDMFSAO-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129407981 790757346 /nfs/dbraw/zinc/75/73/46/790757346.db2.gz ZEHLZSYEDMFSAO-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129407981 790757342 /nfs/dbraw/zinc/75/73/42/790757342.db2.gz ZEHLZSYEDMFSAO-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129407981 790757332 /nfs/dbraw/zinc/75/73/32/790757332.db2.gz ZEHLZSYEDMFSAO-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433573 790759206 /nfs/dbraw/zinc/75/92/06/790759206.db2.gz HIAZENLLSKNPHY-KFWWJZLASA-N 2 1 352.439 -1.420 20 0 FAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433573 790759197 /nfs/dbraw/zinc/75/91/97/790759197.db2.gz HIAZENLLSKNPHY-KFWWJZLASA-N 2 1 352.439 -1.420 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433573 790759189 /nfs/dbraw/zinc/75/91/89/790759189.db2.gz HIAZENLLSKNPHY-KFWWJZLASA-N 2 1 352.439 -1.420 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433573 790759182 /nfs/dbraw/zinc/75/91/82/790759182.db2.gz HIAZENLLSKNPHY-KFWWJZLASA-N 2 1 352.439 -1.420 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433574 790759491 /nfs/dbraw/zinc/75/94/91/790759491.db2.gz HIAZENLLSKNPHY-ZNMIVQPWSA-N 2 1 352.439 -1.420 20 0 FAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433574 790759488 /nfs/dbraw/zinc/75/94/88/790759488.db2.gz HIAZENLLSKNPHY-ZNMIVQPWSA-N 2 1 352.439 -1.420 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433574 790759479 /nfs/dbraw/zinc/75/94/79/790759479.db2.gz HIAZENLLSKNPHY-ZNMIVQPWSA-N 2 1 352.439 -1.420 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)C1 ZINC001129433574 790759476 /nfs/dbraw/zinc/75/94/76/790759476.db2.gz HIAZENLLSKNPHY-ZNMIVQPWSA-N 2 1 352.439 -1.420 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129459961 790760942 /nfs/dbraw/zinc/76/09/42/790760942.db2.gz FDJPDLZAGRFOMY-CABCVRRESA-N 2 1 354.455 -1.031 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129459961 790760937 /nfs/dbraw/zinc/76/09/37/790760937.db2.gz FDJPDLZAGRFOMY-CABCVRRESA-N 2 1 354.455 -1.031 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129459961 790760931 /nfs/dbraw/zinc/76/09/31/790760931.db2.gz FDJPDLZAGRFOMY-CABCVRRESA-N 2 1 354.455 -1.031 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129459961 790760925 /nfs/dbraw/zinc/76/09/25/790760925.db2.gz FDJPDLZAGRFOMY-CABCVRRESA-N 2 1 354.455 -1.031 20 0 FAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461232 790760812 /nfs/dbraw/zinc/76/08/12/790760812.db2.gz SGGKTBRTFHPLDL-KFWWJZLASA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461232 790760806 /nfs/dbraw/zinc/76/08/06/790760806.db2.gz SGGKTBRTFHPLDL-KFWWJZLASA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461232 790760798 /nfs/dbraw/zinc/76/07/98/790760798.db2.gz SGGKTBRTFHPLDL-KFWWJZLASA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461232 790760790 /nfs/dbraw/zinc/76/07/90/790760790.db2.gz SGGKTBRTFHPLDL-KFWWJZLASA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461237 790760635 /nfs/dbraw/zinc/76/06/35/790760635.db2.gz SGGKTBRTFHPLDL-ZNMIVQPWSA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461237 790760625 /nfs/dbraw/zinc/76/06/25/790760625.db2.gz SGGKTBRTFHPLDL-ZNMIVQPWSA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461237 790760618 /nfs/dbraw/zinc/76/06/18/790760618.db2.gz SGGKTBRTFHPLDL-ZNMIVQPWSA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461237 790760610 /nfs/dbraw/zinc/76/06/10/790760610.db2.gz SGGKTBRTFHPLDL-ZNMIVQPWSA-N 2 1 354.455 -1.033 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129685031 790768863 /nfs/dbraw/zinc/76/88/63/790768863.db2.gz LXMLHUJLWCRENV-ILXRZTDVSA-N 2 1 352.439 -1.277 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129685037 790770517 /nfs/dbraw/zinc/77/05/17/790770517.db2.gz LXMLHUJLWCRENV-KFWWJZLASA-N 2 1 352.439 -1.277 20 0 FAADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716772 790772014 /nfs/dbraw/zinc/77/20/14/790772014.db2.gz BCVQGQNSFAPDDR-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716772 790772009 /nfs/dbraw/zinc/77/20/09/790772009.db2.gz BCVQGQNSFAPDDR-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716773 790771497 /nfs/dbraw/zinc/77/14/97/790771497.db2.gz BCVQGQNSFAPDDR-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716773 790771493 /nfs/dbraw/zinc/77/14/93/790771493.db2.gz BCVQGQNSFAPDDR-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717662 790771444 /nfs/dbraw/zinc/77/14/44/790771444.db2.gz ONRHLZSLQBWFDG-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717662 790771438 /nfs/dbraw/zinc/77/14/38/790771438.db2.gz ONRHLZSLQBWFDG-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717663 790772127 /nfs/dbraw/zinc/77/21/27/790772127.db2.gz ONRHLZSLQBWFDG-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717663 790772116 /nfs/dbraw/zinc/77/21/16/790772116.db2.gz ONRHLZSLQBWFDG-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912370 790779482 /nfs/dbraw/zinc/77/94/82/790779482.db2.gz BDIIWTJGSONLKH-APIJFGDWSA-N 2 1 352.439 -1.015 20 0 FAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912370 790779479 /nfs/dbraw/zinc/77/94/79/790779479.db2.gz BDIIWTJGSONLKH-APIJFGDWSA-N 2 1 352.439 -1.015 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129912467 790779499 /nfs/dbraw/zinc/77/94/99/790779499.db2.gz HYVWCKKMOLJVCN-APIJFGDWSA-N 2 1 352.439 -1.279 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129912467 790779494 /nfs/dbraw/zinc/77/94/94/790779494.db2.gz HYVWCKKMOLJVCN-APIJFGDWSA-N 2 1 352.439 -1.279 20 0 FAADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129959195 790781915 /nfs/dbraw/zinc/78/19/15/790781915.db2.gz MDFNIDQDNFOXAH-TUVASFSCSA-N 2 1 352.439 -1.279 20 0 FAADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129959196 790782254 /nfs/dbraw/zinc/78/22/54/790782254.db2.gz MDFNIDQDNFOXAH-YJNKXOJESA-N 2 1 352.439 -1.279 20 0 FAADMP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040902 790787233 /nfs/dbraw/zinc/78/72/33/790787233.db2.gz RHLZEYAEMDSXNU-CABCVRRESA-N 2 1 352.439 -1.012 20 0 FAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130040925 790786871 /nfs/dbraw/zinc/78/68/71/790786871.db2.gz SGDVEGQDWMPHCV-CABCVRRESA-N 2 1 352.439 -1.276 20 0 FAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130074857 790790732 /nfs/dbraw/zinc/79/07/32/790790732.db2.gz IDKPGIWXMPSVRK-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130081574 790790497 /nfs/dbraw/zinc/79/04/97/790790497.db2.gz WKNFFGXKXGCSOB-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130081575 790790238 /nfs/dbraw/zinc/79/02/38/790790238.db2.gz WKNFFGXKXGCSOB-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130107185 790792034 /nfs/dbraw/zinc/79/20/34/790792034.db2.gz IEJIALJQDTYMFE-KFWWJZLASA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130107186 790792263 /nfs/dbraw/zinc/79/22/63/790792263.db2.gz IEJIALJQDTYMFE-ZNMIVQPWSA-N 2 1 354.455 -1.031 20 0 FAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130107684 790791609 /nfs/dbraw/zinc/79/16/09/790791609.db2.gz VNPOPQYCEPCQGF-CABCVRRESA-N 2 1 354.455 -1.030 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n3ccnn3)C2)C1 ZINC001130123400 790792874 /nfs/dbraw/zinc/79/28/74/790792874.db2.gz PTGBNUNBJOKMRJ-MCIONIFRSA-N 2 1 370.479 -1.384 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n3ccnn3)C2)C1 ZINC001130123401 790792625 /nfs/dbraw/zinc/79/26/25/790792625.db2.gz PTGBNUNBJOKMRJ-MJBXVCDLSA-N 2 1 370.479 -1.384 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123627 790793223 /nfs/dbraw/zinc/79/32/23/790793223.db2.gz WNDJXKJMXFCESP-KFWWJZLASA-N 2 1 352.439 -1.420 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123628 790792983 /nfs/dbraw/zinc/79/29/83/790792983.db2.gz WNDJXKJMXFCESP-ZNMIVQPWSA-N 2 1 352.439 -1.420 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130132654 790793812 /nfs/dbraw/zinc/79/38/12/790793812.db2.gz JUCZGIHALUPOFX-ILXRZTDVSA-N 2 1 352.439 -1.277 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130132654 790793805 /nfs/dbraw/zinc/79/38/05/790793805.db2.gz JUCZGIHALUPOFX-ILXRZTDVSA-N 2 1 352.439 -1.277 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130132655 790794187 /nfs/dbraw/zinc/79/41/87/790794187.db2.gz JUCZGIHALUPOFX-QLFBSQMISA-N 2 1 352.439 -1.277 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130132655 790794180 /nfs/dbraw/zinc/79/41/80/790794180.db2.gz JUCZGIHALUPOFX-QLFBSQMISA-N 2 1 352.439 -1.277 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)C1 ZINC001130132672 790794063 /nfs/dbraw/zinc/79/40/63/790794063.db2.gz KIPDRMGZKZJCPX-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)C1 ZINC001130132672 790794056 /nfs/dbraw/zinc/79/40/56/790794056.db2.gz KIPDRMGZKZJCPX-ILXRZTDVSA-N 2 1 352.439 -1.013 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)C1 ZINC001130132673 790793831 /nfs/dbraw/zinc/79/38/31/790793831.db2.gz KIPDRMGZKZJCPX-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)C1 ZINC001130132673 790793825 /nfs/dbraw/zinc/79/38/25/790793825.db2.gz KIPDRMGZKZJCPX-QLFBSQMISA-N 2 1 352.439 -1.013 20 0 FAADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137143 790794351 /nfs/dbraw/zinc/79/43/51/790794351.db2.gz LKWRYSYHIXUIGP-KFWWJZLASA-N 2 1 354.455 -1.033 20 0 FAADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137144 790794310 /nfs/dbraw/zinc/79/43/10/790794310.db2.gz LKWRYSYHIXUIGP-ZNMIVQPWSA-N 2 1 354.455 -1.033 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130137422 790795614 /nfs/dbraw/zinc/79/56/14/790795614.db2.gz YOKJKJLYNJDKHU-CABCVRRESA-N 2 1 354.455 -1.031 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)O1 ZINC001130182315 790796926 /nfs/dbraw/zinc/79/69/26/790796926.db2.gz BWZCMZSFCBDZOF-CHWSQXEVSA-N 2 1 350.485 -1.307 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)O1 ZINC001130182315 790796919 /nfs/dbraw/zinc/79/69/19/790796919.db2.gz BWZCMZSFCBDZOF-CHWSQXEVSA-N 2 1 350.485 -1.307 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)O1 ZINC001130182487 790796389 /nfs/dbraw/zinc/79/63/89/790796389.db2.gz KIKOHFXPULAGQW-FRRDWIJNSA-N 2 1 356.423 -2.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)O1 ZINC001130182487 790796381 /nfs/dbraw/zinc/79/63/81/790796381.db2.gz KIKOHFXPULAGQW-FRRDWIJNSA-N 2 1 356.423 -2.079 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)O1 ZINC001130182488 790797073 /nfs/dbraw/zinc/79/70/73/790797073.db2.gz KIKOHFXPULAGQW-JHJVBQTASA-N 2 1 356.423 -2.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)O1 ZINC001130182488 790797072 /nfs/dbraw/zinc/79/70/72/790797072.db2.gz KIKOHFXPULAGQW-JHJVBQTASA-N 2 1 356.423 -2.079 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)O1 ZINC001130182629 790799338 /nfs/dbraw/zinc/79/93/38/790799338.db2.gz QEKUWJUJAKHSOG-HZSPNIEDSA-N 2 1 362.496 -1.307 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)O1 ZINC001130182629 790799331 /nfs/dbraw/zinc/79/93/31/790799331.db2.gz QEKUWJUJAKHSOG-HZSPNIEDSA-N 2 1 362.496 -1.307 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)O1 ZINC001130182630 790800204 /nfs/dbraw/zinc/80/02/04/790800204.db2.gz QEKUWJUJAKHSOG-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)O1 ZINC001130182630 790800187 /nfs/dbraw/zinc/80/01/87/790800187.db2.gz QEKUWJUJAKHSOG-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182666 790799546 /nfs/dbraw/zinc/79/95/46/790799546.db2.gz RTRJXSUNOMWOPO-CHWSQXEVSA-N 2 1 357.455 -1.107 20 0 FAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182666 790799544 /nfs/dbraw/zinc/79/95/44/790799544.db2.gz RTRJXSUNOMWOPO-CHWSQXEVSA-N 2 1 357.455 -1.107 20 0 FAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182706 790799629 /nfs/dbraw/zinc/79/96/29/790799629.db2.gz UGKSZPHWALIJHM-CHWSQXEVSA-N 2 1 350.485 -1.259 20 0 FAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182706 790799622 /nfs/dbraw/zinc/79/96/22/790799622.db2.gz UGKSZPHWALIJHM-CHWSQXEVSA-N 2 1 350.485 -1.259 20 0 FAADMP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182747 790799590 /nfs/dbraw/zinc/79/95/90/790799590.db2.gz WBOQMHZDZRCDHP-ZIAGYGMSSA-N 2 1 365.496 -1.137 20 0 FAADMP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182747 790799589 /nfs/dbraw/zinc/79/95/89/790799589.db2.gz WBOQMHZDZRCDHP-ZIAGYGMSSA-N 2 1 365.496 -1.137 20 0 FAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130184496 790799510 /nfs/dbraw/zinc/79/95/10/790799510.db2.gz SNBFBVFNNWQBQL-FRRDWIJNSA-N 2 1 357.455 -1.996 20 0 FAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130184496 790799501 /nfs/dbraw/zinc/79/95/01/790799501.db2.gz SNBFBVFNNWQBQL-FRRDWIJNSA-N 2 1 357.455 -1.996 20 0 FAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130184497 790800038 /nfs/dbraw/zinc/80/00/38/790800038.db2.gz SNBFBVFNNWQBQL-JHJVBQTASA-N 2 1 357.455 -1.996 20 0 FAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130184497 790800025 /nfs/dbraw/zinc/80/00/25/790800025.db2.gz SNBFBVFNNWQBQL-JHJVBQTASA-N 2 1 357.455 -1.996 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)O1 ZINC001130184552 790800886 /nfs/dbraw/zinc/80/08/86/790800886.db2.gz VBNUGHBIPOMAJH-DGCLKSJQSA-N 2 1 353.423 -1.991 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)O1 ZINC001130184552 790800876 /nfs/dbraw/zinc/80/08/76/790800876.db2.gz VBNUGHBIPOMAJH-DGCLKSJQSA-N 2 1 353.423 -1.991 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)O1 ZINC001130184556 790800592 /nfs/dbraw/zinc/80/05/92/790800592.db2.gz VBZCLVYTEOGNTJ-VXGBXAGGSA-N 2 1 355.439 -1.258 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)O1 ZINC001130184556 790800578 /nfs/dbraw/zinc/80/05/78/790800578.db2.gz VBZCLVYTEOGNTJ-VXGBXAGGSA-N 2 1 355.439 -1.258 20 0 FAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(=O)NC1CC1 ZINC001130184608 790799933 /nfs/dbraw/zinc/79/99/33/790799933.db2.gz WCMHLJFMJUOQMY-NQBHXWOUSA-N 2 1 355.439 -1.212 20 0 FAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(=O)NC1CC1 ZINC001130184608 790799924 /nfs/dbraw/zinc/79/99/24/790799924.db2.gz WCMHLJFMJUOQMY-NQBHXWOUSA-N 2 1 355.439 -1.212 20 0 FAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(=O)NC1CC1 ZINC001130184611 790799364 /nfs/dbraw/zinc/79/93/64/790799364.db2.gz WCMHLJFMJUOQMY-NTZNESFSSA-N 2 1 355.439 -1.212 20 0 FAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(=O)NC1CC1 ZINC001130184611 790799359 /nfs/dbraw/zinc/79/93/59/790799359.db2.gz WCMHLJFMJUOQMY-NTZNESFSSA-N 2 1 355.439 -1.212 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)O1 ZINC001130184627 790799278 /nfs/dbraw/zinc/79/92/78/790799278.db2.gz WNCKJPZTGHEKNW-IIAWOOMASA-N 2 1 359.467 -1.032 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)O1 ZINC001130184627 790799274 /nfs/dbraw/zinc/79/92/74/790799274.db2.gz WNCKJPZTGHEKNW-IIAWOOMASA-N 2 1 359.467 -1.032 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)O1 ZINC001130184628 790799430 /nfs/dbraw/zinc/79/94/30/790799430.db2.gz WNCKJPZTGHEKNW-IJEWVQPXSA-N 2 1 359.467 -1.032 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)O1 ZINC001130184628 790799421 /nfs/dbraw/zinc/79/94/21/790799421.db2.gz WNCKJPZTGHEKNW-IJEWVQPXSA-N 2 1 359.467 -1.032 20 0 FAADMP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130234757 790803480 /nfs/dbraw/zinc/80/34/80/790803480.db2.gz JWAXSLDUKPQVTI-QWRGUYRKSA-N 2 1 353.427 -1.680 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)C1 ZINC001130249338 790805196 /nfs/dbraw/zinc/80/51/96/790805196.db2.gz YNBSPPRQBOIPAJ-AGIUHOORSA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)C1 ZINC001130249338 790805183 /nfs/dbraw/zinc/80/51/83/790805183.db2.gz YNBSPPRQBOIPAJ-AGIUHOORSA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)C1 ZINC001130249338 790805170 /nfs/dbraw/zinc/80/51/70/790805170.db2.gz YNBSPPRQBOIPAJ-AGIUHOORSA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)C1 ZINC001130249338 790805153 /nfs/dbraw/zinc/80/51/53/790805153.db2.gz YNBSPPRQBOIPAJ-AGIUHOORSA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCO)[nH]2)C1 ZINC001130249338 790805142 /nfs/dbraw/zinc/80/51/42/790805142.db2.gz YNBSPPRQBOIPAJ-AGIUHOORSA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)C1 ZINC001130249339 790805621 /nfs/dbraw/zinc/80/56/21/790805621.db2.gz YNBSPPRQBOIPAJ-AVGNSLFASA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)C1 ZINC001130249339 790805607 /nfs/dbraw/zinc/80/56/07/790805607.db2.gz YNBSPPRQBOIPAJ-AVGNSLFASA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)C1 ZINC001130249339 790805597 /nfs/dbraw/zinc/80/55/97/790805597.db2.gz YNBSPPRQBOIPAJ-AVGNSLFASA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)C1 ZINC001130249339 790805582 /nfs/dbraw/zinc/80/55/82/790805582.db2.gz YNBSPPRQBOIPAJ-AVGNSLFASA-N 2 1 352.439 -1.173 20 0 FAADMP C[N@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCO)[nH]2)C1 ZINC001130249339 790805569 /nfs/dbraw/zinc/80/55/69/790805569.db2.gz YNBSPPRQBOIPAJ-AVGNSLFASA-N 2 1 352.439 -1.173 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130298718 790807284 /nfs/dbraw/zinc/80/72/84/790807284.db2.gz CVXSHALTELAQSO-DYVFJYSZSA-N 2 1 353.467 -1.101 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cn1 ZINC001147113308 790907673 /nfs/dbraw/zinc/90/76/73/790907673.db2.gz PRZCZIDHPOPBSJ-BBRMVZONSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cn1 ZINC001147113308 790907664 /nfs/dbraw/zinc/90/76/64/790907664.db2.gz PRZCZIDHPOPBSJ-BBRMVZONSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cn1 ZINC001147113312 790908860 /nfs/dbraw/zinc/90/88/60/790908860.db2.gz PRZCZIDHPOPBSJ-CJNGLKHVSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cn1 ZINC001147113312 790908851 /nfs/dbraw/zinc/90/88/51/790908851.db2.gz PRZCZIDHPOPBSJ-CJNGLKHVSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cn1 ZINC001147113314 790908538 /nfs/dbraw/zinc/90/85/38/790908538.db2.gz PRZCZIDHPOPBSJ-CZUORRHYSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cn1 ZINC001147113314 790908527 /nfs/dbraw/zinc/90/85/27/790908527.db2.gz PRZCZIDHPOPBSJ-CZUORRHYSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cn1 ZINC001147113316 790908738 /nfs/dbraw/zinc/90/87/38/790908738.db2.gz PRZCZIDHPOPBSJ-XJKSGUPXSA-N 2 1 352.439 -1.046 20 0 FAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cn1 ZINC001147113316 790908731 /nfs/dbraw/zinc/90/87/31/790908731.db2.gz PRZCZIDHPOPBSJ-XJKSGUPXSA-N 2 1 352.439 -1.046 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)CCCO2)O1 ZINC001149881425 792854355 /nfs/dbraw/zinc/85/43/55/792854355.db2.gz NPIPUBOOBGTFQA-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)O1 ZINC001149881425 792854341 /nfs/dbraw/zinc/85/43/41/792854341.db2.gz NPIPUBOOBGTFQA-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)O1 ZINC001149881425 792854339 /nfs/dbraw/zinc/85/43/39/792854339.db2.gz NPIPUBOOBGTFQA-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)O1 ZINC001149881425 792854328 /nfs/dbraw/zinc/85/43/28/792854328.db2.gz NPIPUBOOBGTFQA-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCOCCO)CCCO2)O1 ZINC001149881426 792854218 /nfs/dbraw/zinc/85/42/18/792854218.db2.gz NPIPUBOOBGTFQA-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)O1 ZINC001149881426 792854208 /nfs/dbraw/zinc/85/42/08/792854208.db2.gz NPIPUBOOBGTFQA-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)O1 ZINC001149881426 792854196 /nfs/dbraw/zinc/85/41/96/792854196.db2.gz NPIPUBOOBGTFQA-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)O1 ZINC001149881426 792854186 /nfs/dbraw/zinc/85/41/86/792854186.db2.gz NPIPUBOOBGTFQA-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP [NH3+][C@H]1COC[C@H]1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155347518 792866998 /nfs/dbraw/zinc/86/69/98/792866998.db2.gz XJXLIYJYTKVSGM-NWDGAFQWSA-N 2 1 351.411 -1.895 20 0 FAADMP [NH3+]CCN(CCO)c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155948812 792869524 /nfs/dbraw/zinc/86/95/24/792869524.db2.gz ZYPJYHIPSLSWES-UHFFFAOYSA-N 2 1 353.427 -1.698 20 0 FAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157322905 792874755 /nfs/dbraw/zinc/87/47/55/792874755.db2.gz CRUBVYZJQZAXLX-KBPBESRZSA-N 2 1 355.483 -1.201 20 0 FAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157322905 792874751 /nfs/dbraw/zinc/87/47/51/792874751.db2.gz CRUBVYZJQZAXLX-KBPBESRZSA-N 3 1 355.483 -1.201 20 0 FAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157322906 792874374 /nfs/dbraw/zinc/87/43/74/792874374.db2.gz CRUBVYZJQZAXLX-UONOGXRCSA-N 2 1 355.483 -1.201 20 0 FAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157322906 792874363 /nfs/dbraw/zinc/87/43/63/792874363.db2.gz CRUBVYZJQZAXLX-UONOGXRCSA-N 3 1 355.483 -1.201 20 0 FAADMP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998482 792879047 /nfs/dbraw/zinc/87/90/47/792879047.db2.gz GBZWHEOTNKDQIK-KBPBESRZSA-N 2 1 354.451 -1.197 20 0 FAADMP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998483 792878447 /nfs/dbraw/zinc/87/84/47/792878447.db2.gz GBZWHEOTNKDQIK-KGLIPLIRSA-N 2 1 354.451 -1.197 20 0 FAADMP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998484 792878943 /nfs/dbraw/zinc/87/89/43/792878943.db2.gz GBZWHEOTNKDQIK-UONOGXRCSA-N 2 1 354.451 -1.197 20 0 FAADMP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998485 792878889 /nfs/dbraw/zinc/87/88/89/792878889.db2.gz GBZWHEOTNKDQIK-ZIAGYGMSSA-N 2 1 354.451 -1.197 20 0 FAADMP CN1C[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093017 792879583 /nfs/dbraw/zinc/87/95/83/792879583.db2.gz QWMFNDRYCYATEF-BBRMVZONSA-N 2 1 351.451 -1.870 20 0 FAADMP C[N@H+]1C[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093017 792879573 /nfs/dbraw/zinc/87/95/73/792879573.db2.gz QWMFNDRYCYATEF-BBRMVZONSA-N 3 1 351.451 -1.870 20 0 FAADMP CN1C[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093023 792880053 /nfs/dbraw/zinc/88/00/53/792880053.db2.gz QWMFNDRYCYATEF-CJNGLKHVSA-N 2 1 351.451 -1.870 20 0 FAADMP C[N@H+]1C[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093023 792880042 /nfs/dbraw/zinc/88/00/42/792880042.db2.gz QWMFNDRYCYATEF-CJNGLKHVSA-N 3 1 351.451 -1.870 20 0 FAADMP CN1C[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093025 792879871 /nfs/dbraw/zinc/87/98/71/792879871.db2.gz QWMFNDRYCYATEF-CZUORRHYSA-N 2 1 351.451 -1.870 20 0 FAADMP C[N@H+]1C[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093025 792879864 /nfs/dbraw/zinc/87/98/64/792879864.db2.gz QWMFNDRYCYATEF-CZUORRHYSA-N 3 1 351.451 -1.870 20 0 FAADMP CN1C[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093028 792880009 /nfs/dbraw/zinc/88/00/09/792880009.db2.gz QWMFNDRYCYATEF-XJKSGUPXSA-N 2 1 351.451 -1.870 20 0 FAADMP C[N@H+]1C[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001158093028 792880000 /nfs/dbraw/zinc/88/00/00/792880000.db2.gz QWMFNDRYCYATEF-XJKSGUPXSA-N 3 1 351.451 -1.870 20 0 FAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120331 792879800 /nfs/dbraw/zinc/87/98/00/792879800.db2.gz OLCPPDKFDYMUTI-CXAGYDPISA-N 2 1 350.467 -2.325 20 0 FAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120332 792879700 /nfs/dbraw/zinc/87/97/00/792879700.db2.gz OLCPPDKFDYMUTI-DYVFJYSZSA-N 2 1 350.467 -2.325 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120333 792879460 /nfs/dbraw/zinc/87/94/60/792879460.db2.gz OLCPPDKFDYMUTI-GUYCJALGSA-N 2 1 350.467 -2.325 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120334 792879479 /nfs/dbraw/zinc/87/94/79/792879479.db2.gz OLCPPDKFDYMUTI-SUMWQHHRSA-N 2 1 350.467 -2.325 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001158379823 792882042 /nfs/dbraw/zinc/88/20/42/792882042.db2.gz IQKBGXZCHNPTCT-HZSPNIEDSA-N 2 1 354.451 -1.068 20 0 FAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001158379824 792881963 /nfs/dbraw/zinc/88/19/63/792881963.db2.gz IQKBGXZCHNPTCT-MGPQQGTHSA-N 2 1 354.451 -1.068 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001158403246 792881452 /nfs/dbraw/zinc/88/14/52/792881452.db2.gz BWDPKEFERFCLKB-UONOGXRCSA-N 2 1 353.467 -1.229 20 0 FAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001158506345 792882935 /nfs/dbraw/zinc/88/29/35/792882935.db2.gz MYOOWFHIRYUKHQ-CYUUQNCZSA-N 2 1 353.467 -1.511 20 0 FAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001158506346 792883025 /nfs/dbraw/zinc/88/30/25/792883025.db2.gz MYOOWFHIRYUKHQ-PMOUVXMZSA-N 2 1 353.467 -1.511 20 0 FAADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158626673 792883964 /nfs/dbraw/zinc/88/39/64/792883964.db2.gz XVSZPJXWCOUWAB-WDEREUQCSA-N 2 1 356.427 -3.155 20 0 FAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158630889 792884247 /nfs/dbraw/zinc/88/42/47/792884247.db2.gz ZFVWAFCUWQAOOP-CRWXNKLISA-N 2 1 353.467 -1.008 20 0 FAADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158734789 792883700 /nfs/dbraw/zinc/88/37/00/792883700.db2.gz FJEYFMPVCREHQI-LLVKDONJSA-N 2 1 369.447 -1.583 20 0 FAADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158734790 792883574 /nfs/dbraw/zinc/88/35/74/792883574.db2.gz FJEYFMPVCREHQI-NSHDSACASA-N 2 1 369.447 -1.583 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C2)C1 ZINC001159123871 792890775 /nfs/dbraw/zinc/89/07/75/792890775.db2.gz KLWNTTCYXREYPN-CKEIUWERSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C2)C1 ZINC001159123871 792890765 /nfs/dbraw/zinc/89/07/65/792890765.db2.gz KLWNTTCYXREYPN-CKEIUWERSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C2)C1 ZINC001159123875 792891221 /nfs/dbraw/zinc/89/12/21/792891221.db2.gz KLWNTTCYXREYPN-CPUCHLNUSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C2)C1 ZINC001159123875 792891208 /nfs/dbraw/zinc/89/12/08/792891208.db2.gz KLWNTTCYXREYPN-CPUCHLNUSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)C1 ZINC001159123877 792891641 /nfs/dbraw/zinc/89/16/41/792891641.db2.gz KLWNTTCYXREYPN-GRDNDAEWSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)C1 ZINC001159123877 792891633 /nfs/dbraw/zinc/89/16/33/792891633.db2.gz KLWNTTCYXREYPN-GRDNDAEWSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)C1 ZINC001159123879 792890533 /nfs/dbraw/zinc/89/05/33/792890533.db2.gz KLWNTTCYXREYPN-ZQIUZPCESA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)C1 ZINC001159123879 792890522 /nfs/dbraw/zinc/89/05/22/792890522.db2.gz KLWNTTCYXREYPN-ZQIUZPCESA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125758 792891262 /nfs/dbraw/zinc/89/12/62/792891262.db2.gz HZECSOVGFDEWFX-DLBZAZTESA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125758 792891249 /nfs/dbraw/zinc/89/12/49/792891249.db2.gz HZECSOVGFDEWFX-DLBZAZTESA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125759 792890870 /nfs/dbraw/zinc/89/08/70/792890870.db2.gz HZECSOVGFDEWFX-IAGOWNOFSA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125759 792890861 /nfs/dbraw/zinc/89/08/61/792890861.db2.gz HZECSOVGFDEWFX-IAGOWNOFSA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125760 792890441 /nfs/dbraw/zinc/89/04/41/792890441.db2.gz HZECSOVGFDEWFX-IRXDYDNUSA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125760 792890434 /nfs/dbraw/zinc/89/04/34/792890434.db2.gz HZECSOVGFDEWFX-IRXDYDNUSA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125761 792891142 /nfs/dbraw/zinc/89/11/42/792891142.db2.gz HZECSOVGFDEWFX-SJORKVTESA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@]3(N)CC[NH2+]C3)C2)C1 ZINC001159125761 792891140 /nfs/dbraw/zinc/89/11/40/792891140.db2.gz HZECSOVGFDEWFX-SJORKVTESA-N 2 1 353.467 -1.636 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C2)C1 ZINC001159126004 792890701 /nfs/dbraw/zinc/89/07/01/792890701.db2.gz JYXRWWLONPUUSC-CKEIUWERSA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C2)C1 ZINC001159126004 792890693 /nfs/dbraw/zinc/89/06/93/792890693.db2.gz JYXRWWLONPUUSC-CKEIUWERSA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C2)C1 ZINC001159126005 792891118 /nfs/dbraw/zinc/89/11/18/792891118.db2.gz JYXRWWLONPUUSC-GRDNDAEWSA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C2)C1 ZINC001159126005 792891113 /nfs/dbraw/zinc/89/11/13/792891113.db2.gz JYXRWWLONPUUSC-GRDNDAEWSA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C2)C1 ZINC001159126006 792891448 /nfs/dbraw/zinc/89/14/48/792891448.db2.gz JYXRWWLONPUUSC-JJRVBVJISA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C2)C1 ZINC001159126006 792891437 /nfs/dbraw/zinc/89/14/37/792891437.db2.gz JYXRWWLONPUUSC-JJRVBVJISA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C2)C1 ZINC001159126007 792891087 /nfs/dbraw/zinc/89/10/87/792891087.db2.gz JYXRWWLONPUUSC-JKIFEVAISA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C2)C1 ZINC001159126007 792891074 /nfs/dbraw/zinc/89/10/74/792891074.db2.gz JYXRWWLONPUUSC-JKIFEVAISA-N 2 1 354.451 -1.746 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)C1 ZINC001159127538 792891588 /nfs/dbraw/zinc/89/15/88/792891588.db2.gz TVAXEAZTAAWBFF-JLJPHGGASA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)C1 ZINC001159127538 792891575 /nfs/dbraw/zinc/89/15/75/792891575.db2.gz TVAXEAZTAAWBFF-JLJPHGGASA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)C1 ZINC001159127540 792890611 /nfs/dbraw/zinc/89/06/11/792890611.db2.gz TVAXEAZTAAWBFF-KMFMINBZSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)C1 ZINC001159127540 792890599 /nfs/dbraw/zinc/89/05/99/792890599.db2.gz TVAXEAZTAAWBFF-KMFMINBZSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)C1 ZINC001159127544 792890500 /nfs/dbraw/zinc/89/05/00/792890500.db2.gz TVAXEAZTAAWBFF-QRTARXTBSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)C1 ZINC001159127544 792890489 /nfs/dbraw/zinc/89/04/89/792890489.db2.gz TVAXEAZTAAWBFF-QRTARXTBSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)C1 ZINC001159127546 792891022 /nfs/dbraw/zinc/89/10/22/792891022.db2.gz TVAXEAZTAAWBFF-UKPHBRMFSA-N 2 1 354.451 -1.604 20 0 FAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)C1 ZINC001159127546 792891008 /nfs/dbraw/zinc/89/10/08/792891008.db2.gz TVAXEAZTAAWBFF-UKPHBRMFSA-N 2 1 354.451 -1.604 20 0 FAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001159190053 792890578 /nfs/dbraw/zinc/89/05/78/792890578.db2.gz IAEBXYVXPYILQB-LBPRGKRZSA-N 2 1 351.407 -1.161 20 0 FAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001159191884 792892344 /nfs/dbraw/zinc/89/23/44/792892344.db2.gz ZILTVERLONUPBS-PWSUYJOCSA-N 2 1 350.423 -1.460 20 0 FAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291519 792891851 /nfs/dbraw/zinc/89/18/51/792891851.db2.gz PJXVTAVDBBAQDI-AAEUAGOBSA-N 2 1 351.451 -1.362 20 0 FAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159492346 792893118 /nfs/dbraw/zinc/89/31/18/792893118.db2.gz HMNHUPWAPNDVKH-NSHDSACASA-N 2 1 368.463 -1.257 20 0 FAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001159609406 792894029 /nfs/dbraw/zinc/89/40/29/792894029.db2.gz LRNRRYZBQMKANF-AWEZNQCLSA-N 2 1 353.467 -1.371 20 0 FAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC[C@@H]2C1 ZINC001159636560 792894424 /nfs/dbraw/zinc/89/44/24/792894424.db2.gz UVOPRUNOFXPEBM-BZUAXINKSA-N 3 1 352.479 -1.009 20 0 FAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC[C@@H]2C1 ZINC001159636562 792894591 /nfs/dbraw/zinc/89/45/91/792894591.db2.gz UVOPRUNOFXPEBM-OWCLPIDISA-N 3 1 352.479 -1.009 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159737440 792894476 /nfs/dbraw/zinc/89/44/76/792894476.db2.gz KKCQZQZODLFYLF-KEYYUXOJSA-N 2 1 354.451 -1.224 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767751 792893999 /nfs/dbraw/zinc/89/39/99/792893999.db2.gz LCOCISDCFJITDE-KBXIAJHMSA-N 2 1 354.451 -1.368 20 0 FAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159929526 792895834 /nfs/dbraw/zinc/89/58/34/792895834.db2.gz GJHDKTPBUCRQDH-UONOGXRCSA-N 2 1 361.512 -1.557 20 0 FAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159929526 792895824 /nfs/dbraw/zinc/89/58/24/792895824.db2.gz GJHDKTPBUCRQDH-UONOGXRCSA-N 2 1 361.512 -1.557 20 0 FAADMP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160008019 792897066 /nfs/dbraw/zinc/89/70/66/792897066.db2.gz TXENGMFTKDJTFB-KGLIPLIRSA-N 2 1 373.523 -1.085 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160103622 792896803 /nfs/dbraw/zinc/89/68/03/792896803.db2.gz NLWAHSBGXJLHSX-KBPBESRZSA-N 2 1 354.451 -1.081 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160103623 792896395 /nfs/dbraw/zinc/89/63/95/792896395.db2.gz NLWAHSBGXJLHSX-KGLIPLIRSA-N 2 1 354.451 -1.081 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160154969 792898066 /nfs/dbraw/zinc/89/80/66/792898066.db2.gz BXIMGKCAEJOIDX-OKILXGFUSA-N 2 1 360.480 -1.472 20 0 FAADMP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160213771 792897742 /nfs/dbraw/zinc/89/77/42/792897742.db2.gz ZQVCSQWTBMGUDP-WUHRBBMRSA-N 2 1 350.423 -1.416 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353212 792898605 /nfs/dbraw/zinc/89/86/05/792898605.db2.gz NBWNCJXJTCJOML-BBRMVZONSA-N 2 1 350.423 -1.413 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353219 792898769 /nfs/dbraw/zinc/89/87/69/792898769.db2.gz NBWNCJXJTCJOML-XJKSGUPXSA-N 2 1 350.423 -1.413 20 0 FAADMP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160398695 792899257 /nfs/dbraw/zinc/89/92/57/792899257.db2.gz LNMUBLOTRYWMOY-IGQOVBAYSA-N 2 1 350.423 -1.416 20 0 FAADMP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160440703 792901219 /nfs/dbraw/zinc/90/12/19/792901219.db2.gz SJFWYLAJCNBHHH-CHWSQXEVSA-N 2 1 355.439 -1.983 20 0 FAADMP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160440706 792901005 /nfs/dbraw/zinc/90/10/05/792901005.db2.gz SJFWYLAJCNBHHH-OLZOCXBDSA-N 2 1 355.439 -1.983 20 0 FAADMP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160440708 792901206 /nfs/dbraw/zinc/90/12/06/792901206.db2.gz SJFWYLAJCNBHHH-QWHCGFSZSA-N 2 1 355.439 -1.983 20 0 FAADMP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160440710 792901122 /nfs/dbraw/zinc/90/11/22/792901122.db2.gz SJFWYLAJCNBHHH-STQMWFEESA-N 2 1 355.439 -1.983 20 0 FAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638338 792902906 /nfs/dbraw/zinc/90/29/06/792902906.db2.gz SPCRVWMTUNOMLL-HNNXBMFYSA-N 2 1 353.467 -1.413 20 0 FAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638339 792903506 /nfs/dbraw/zinc/90/35/06/792903506.db2.gz SPCRVWMTUNOMLL-OAHLLOKOSA-N 2 1 353.467 -1.413 20 0 FAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703794 792904547 /nfs/dbraw/zinc/90/45/47/792904547.db2.gz DVJQNWTZSBQMEV-FQUUOJAGSA-N 2 1 351.451 -1.539 20 0 FAADMP C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]2C1 ZINC001160705655 792905113 /nfs/dbraw/zinc/90/51/13/792905113.db2.gz ZCZNZCRSLOTSDU-PHIMTYICSA-N 2 1 354.411 -3.686 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160826069 792907712 /nfs/dbraw/zinc/90/77/12/792907712.db2.gz RCDDLKWKXGYYGS-UHFFFAOYSA-N 2 1 356.452 -1.467 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)O1 ZINC001160850527 792907502 /nfs/dbraw/zinc/90/75/02/792907502.db2.gz ABFFOZUIJNLRFJ-CHWSQXEVSA-N 2 1 350.485 -1.307 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)O1 ZINC001160850527 792907497 /nfs/dbraw/zinc/90/74/97/792907497.db2.gz ABFFOZUIJNLRFJ-CHWSQXEVSA-N 2 1 350.485 -1.307 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)O1 ZINC001160851289 792907767 /nfs/dbraw/zinc/90/77/67/792907767.db2.gz VYWTULJNIKGVPY-QLFBSQMISA-N 2 1 356.467 -1.215 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)O1 ZINC001160851289 792907762 /nfs/dbraw/zinc/90/77/62/792907762.db2.gz VYWTULJNIKGVPY-QLFBSQMISA-N 2 1 356.467 -1.215 20 0 FAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857570 792907790 /nfs/dbraw/zinc/90/77/90/792907790.db2.gz LAFCOVPNBHGLMB-CHWSQXEVSA-N 2 1 350.485 -1.259 20 0 FAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857570 792907787 /nfs/dbraw/zinc/90/77/87/792907787.db2.gz LAFCOVPNBHGLMB-CHWSQXEVSA-N 2 1 350.485 -1.259 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)O1 ZINC001160857597 792907902 /nfs/dbraw/zinc/90/79/02/792907902.db2.gz MFAVZLGWIYTRLO-CHWSQXEVSA-N 2 1 355.439 -1.257 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)O1 ZINC001160857597 792907898 /nfs/dbraw/zinc/90/78/98/792907898.db2.gz MFAVZLGWIYTRLO-CHWSQXEVSA-N 2 1 355.439 -1.257 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001160858122 792907865 /nfs/dbraw/zinc/90/78/65/792907865.db2.gz WRYWCIOYZDDDIY-QLFBSQMISA-N 2 1 356.467 -1.046 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001160858122 792907860 /nfs/dbraw/zinc/90/78/60/792907860.db2.gz WRYWCIOYZDDDIY-QLFBSQMISA-N 2 1 356.467 -1.046 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001160858123 792907572 /nfs/dbraw/zinc/90/75/72/792907572.db2.gz WRYWCIOYZDDDIY-RBSFLKMASA-N 2 1 356.467 -1.046 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001160858123 792907564 /nfs/dbraw/zinc/90/75/64/792907564.db2.gz WRYWCIOYZDDDIY-RBSFLKMASA-N 2 1 356.467 -1.046 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001160861912 792907733 /nfs/dbraw/zinc/90/77/33/792907733.db2.gz AIRZIDOGVBFCGK-CHWSQXEVSA-N 2 1 355.439 -2.240 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001160861912 792907728 /nfs/dbraw/zinc/90/77/28/792907728.db2.gz AIRZIDOGVBFCGK-CHWSQXEVSA-N 2 1 355.439 -2.240 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)O1 ZINC001160861961 792907600 /nfs/dbraw/zinc/90/76/00/792907600.db2.gz DDIAWKDVIKERGG-DGCLKSJQSA-N 2 1 355.439 -1.210 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)O1 ZINC001160861961 792907593 /nfs/dbraw/zinc/90/75/93/792907593.db2.gz DDIAWKDVIKERGG-DGCLKSJQSA-N 2 1 355.439 -1.210 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)O1 ZINC001160862559 792907881 /nfs/dbraw/zinc/90/78/81/792907881.db2.gz RDWHJXKLQUQPKA-ZIAGYGMSSA-N 2 1 362.496 -1.163 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)O1 ZINC001160862559 792907878 /nfs/dbraw/zinc/90/78/78/792907878.db2.gz RDWHJXKLQUQPKA-ZIAGYGMSSA-N 2 1 362.496 -1.163 20 0 FAADMP CS(=O)(=O)c1nc2c(c(NCCN3CC[NH2+]CC3=O)n1)CC[NH2+]CC2 ZINC001161018935 792908626 /nfs/dbraw/zinc/90/86/26/792908626.db2.gz HNACEFTUAIAVNY-UHFFFAOYSA-N 2 1 368.463 -1.588 20 0 FAADMP C[NH+](C)CCN(C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161447144 792912635 /nfs/dbraw/zinc/91/26/35/792912635.db2.gz VTJOUPJDMUALHT-KBPBESRZSA-N 3 1 358.508 -1.095 20 0 FAADMP C[NH+](C)CCN(C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161447147 792913138 /nfs/dbraw/zinc/91/31/38/792913138.db2.gz VTJOUPJDMUALHT-KGLIPLIRSA-N 3 1 358.508 -1.095 20 0 FAADMP C[NH+](C)CCN(C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161447150 792913116 /nfs/dbraw/zinc/91/31/16/792913116.db2.gz VTJOUPJDMUALHT-UONOGXRCSA-N 3 1 358.508 -1.095 20 0 FAADMP C[NH+](C)CCN(C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161447153 792912757 /nfs/dbraw/zinc/91/27/57/792912757.db2.gz VTJOUPJDMUALHT-ZIAGYGMSSA-N 3 1 358.508 -1.095 20 0 FAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001161476932 792912852 /nfs/dbraw/zinc/91/28/52/792912852.db2.gz CRIHRQMTHYSODE-CPUCHLNUSA-N 2 1 353.467 -1.510 20 0 FAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001161476933 792913291 /nfs/dbraw/zinc/91/32/91/792913291.db2.gz CRIHRQMTHYSODE-KEYYUXOJSA-N 2 1 353.467 -1.510 20 0 FAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001161476934 792912990 /nfs/dbraw/zinc/91/29/90/792912990.db2.gz CRIHRQMTHYSODE-VBQJREDUSA-N 2 1 353.467 -1.510 20 0 FAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001161476935 792913207 /nfs/dbraw/zinc/91/32/07/792913207.db2.gz CRIHRQMTHYSODE-ZQIUZPCESA-N 2 1 353.467 -1.510 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001165728308 792923733 /nfs/dbraw/zinc/92/37/33/792923733.db2.gz PKXXUBLLNPRJLI-VXGBXAGGSA-N 2 1 355.439 -1.224 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001165728308 792923725 /nfs/dbraw/zinc/92/37/25/792923725.db2.gz PKXXUBLLNPRJLI-VXGBXAGGSA-N 2 1 355.439 -1.224 20 0 FAADMP CS(=O)(=O)c1nc2c(c(N3CC[NH2+][C@@H](C(N)=O)C3)n1)CC[NH2+]CC2 ZINC001166724857 792926247 /nfs/dbraw/zinc/92/62/47/792926247.db2.gz YCIUQFSGBCZDDN-LLVKDONJSA-N 2 1 354.436 -2.168 20 0 FAADMP CS(=O)(=O)c1nc2c(c(N3CC[NH2+][C@H](C(N)=O)C3)n1)CC[NH2+]CC2 ZINC001166724858 792926078 /nfs/dbraw/zinc/92/60/78/792926078.db2.gz YCIUQFSGBCZDDN-NSHDSACASA-N 2 1 354.436 -2.168 20 0 FAADMP [NH3+][C@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C[C@H]1O ZINC001167090350 789650567 /nfs/dbraw/zinc/65/05/67/789650567.db2.gz OUVHMWZJTIUGJJ-NWDGAFQWSA-N 2 1 351.411 -1.947 20 0 FAADMP CC[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001169233515 790674022 /nfs/dbraw/zinc/67/40/22/790674022.db2.gz RYTSNZPZMDDPCI-NMFUWQPSSA-N 2 1 353.423 -1.448 20 0 FAADMP Nc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1F ZINC001171262889 790901878 /nfs/dbraw/zinc/90/18/78/790901878.db2.gz TXJAYFNHXBWTFW-HUXSOILUSA-N 2 1 352.326 -1.485 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982013 791016667 /nfs/dbraw/zinc/01/66/67/791016667.db2.gz JDSREMVILBTRDR-MROQNXINSA-N 2 1 355.439 -1.260 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982013 791016660 /nfs/dbraw/zinc/01/66/60/791016660.db2.gz JDSREMVILBTRDR-MROQNXINSA-N 2 1 355.439 -1.260 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576223 791042595 /nfs/dbraw/zinc/04/25/95/791042595.db2.gz HIYSIPQJLAXRCI-JHJVBQTASA-N 2 1 355.439 -1.258 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576223 791042589 /nfs/dbraw/zinc/04/25/89/791042589.db2.gz HIYSIPQJLAXRCI-JHJVBQTASA-N 2 1 355.439 -1.258 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)O1 ZINC001183577015 791042766 /nfs/dbraw/zinc/04/27/66/791042766.db2.gz UUGRCMOIRMXYRP-MGPQQGTHSA-N 2 1 362.496 -1.213 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)O1 ZINC001183577015 791042755 /nfs/dbraw/zinc/04/27/55/791042755.db2.gz UUGRCMOIRMXYRP-MGPQQGTHSA-N 2 1 362.496 -1.213 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183581324 791042150 /nfs/dbraw/zinc/04/21/50/791042150.db2.gz HYCXLCHZJLOYEM-MGPQQGTHSA-N 2 1 362.496 -1.165 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183581324 791042139 /nfs/dbraw/zinc/04/21/39/791042139.db2.gz HYCXLCHZJLOYEM-MGPQQGTHSA-N 2 1 362.496 -1.165 20 0 FAADMP O=C(C[N@@H+]1CC[C@H](O)C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001186058660 791055446 /nfs/dbraw/zinc/05/54/46/791055446.db2.gz VOKHTGBGWBVXQW-HNNXBMFYSA-N 2 1 368.459 -1.001 20 0 FAADMP O=C(C[N@H+]1CC[C@H](O)C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001186058660 791055432 /nfs/dbraw/zinc/05/54/32/791055432.db2.gz VOKHTGBGWBVXQW-HNNXBMFYSA-N 2 1 368.459 -1.001 20 0 FAADMP O=C(C[N@@H+]1CC[C@@H](O)C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001186058663 791054811 /nfs/dbraw/zinc/05/48/11/791054811.db2.gz VOKHTGBGWBVXQW-OAHLLOKOSA-N 2 1 368.459 -1.001 20 0 FAADMP O=C(C[N@H+]1CC[C@@H](O)C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001186058663 791054801 /nfs/dbraw/zinc/05/48/01/791054801.db2.gz VOKHTGBGWBVXQW-OAHLLOKOSA-N 2 1 368.459 -1.001 20 0 FAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001189041741 791971455 /nfs/dbraw/zinc/97/14/55/791971455.db2.gz XGQCWEKMXKQUET-UONOGXRCSA-N 2 1 351.451 -1.571 20 0 FAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001189041741 791971448 /nfs/dbraw/zinc/97/14/48/791971448.db2.gz XGQCWEKMXKQUET-UONOGXRCSA-N 2 1 351.451 -1.571 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189801435 791984169 /nfs/dbraw/zinc/98/41/69/791984169.db2.gz GJDDSEMNAVEDMS-BFHYXJOUSA-N 2 1 352.435 -1.098 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189801436 791983999 /nfs/dbraw/zinc/98/39/99/791983999.db2.gz GJDDSEMNAVEDMS-MELADBBJSA-N 2 1 352.435 -1.098 20 0 FAADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802424 791983845 /nfs/dbraw/zinc/98/38/45/791983845.db2.gz YSRCNLOLZWNWRY-QWHCGFSZSA-N 2 1 355.439 -1.447 20 0 FAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802424 791983839 /nfs/dbraw/zinc/98/38/39/791983839.db2.gz YSRCNLOLZWNWRY-QWHCGFSZSA-N 2 1 355.439 -1.447 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820178 791983876 /nfs/dbraw/zinc/98/38/76/791983876.db2.gz UKIBLYRLPKYMNB-FRRDWIJNSA-N 2 1 355.439 -1.319 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820178 791983873 /nfs/dbraw/zinc/98/38/73/791983873.db2.gz UKIBLYRLPKYMNB-FRRDWIJNSA-N 2 1 355.439 -1.319 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820179 791983175 /nfs/dbraw/zinc/98/31/75/791983175.db2.gz UKIBLYRLPKYMNB-RWMBFGLXSA-N 2 1 355.439 -1.319 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820179 791983170 /nfs/dbraw/zinc/98/31/70/791983170.db2.gz UKIBLYRLPKYMNB-RWMBFGLXSA-N 2 1 355.439 -1.319 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189820275 791983132 /nfs/dbraw/zinc/98/31/32/791983132.db2.gz ZZUOEGJGIVZRIJ-UONOGXRCSA-N 2 1 362.496 -1.354 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001189820275 791983130 /nfs/dbraw/zinc/98/31/30/791983130.db2.gz ZZUOEGJGIVZRIJ-UONOGXRCSA-N 2 1 362.496 -1.354 20 0 FAADMP CCS(=O)(=O)NCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001191784636 792040252 /nfs/dbraw/zinc/04/02/52/792040252.db2.gz HIMPSJZGQYLUCJ-HZSPNIEDSA-N 2 1 362.496 -1.429 20 0 FAADMP CCS(=O)(=O)NCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001191784637 792040346 /nfs/dbraw/zinc/04/03/46/792040346.db2.gz HIMPSJZGQYLUCJ-MGPQQGTHSA-N 2 1 362.496 -1.429 20 0 FAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001193067114 792113423 /nfs/dbraw/zinc/11/34/23/792113423.db2.gz JKAPPVWKPWIRFA-HUUCEWRRSA-N 2 1 355.439 -1.772 20 0 FAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001193067114 792113417 /nfs/dbraw/zinc/11/34/17/792113417.db2.gz JKAPPVWKPWIRFA-HUUCEWRRSA-N 2 1 355.439 -1.772 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068552 792113876 /nfs/dbraw/zinc/11/38/76/792113876.db2.gz VTJNQOOOWLALEA-BPLDGKMQSA-N 2 1 355.439 -1.773 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068568 792113378 /nfs/dbraw/zinc/11/33/78/792113378.db2.gz VTJNQOOOWLALEA-NWANDNLSSA-N 2 1 355.439 -1.773 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102994 792116057 /nfs/dbraw/zinc/11/60/57/792116057.db2.gz OAJSEMBTPXEQQY-DTZQCDIJSA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102994 792116048 /nfs/dbraw/zinc/11/60/48/792116048.db2.gz OAJSEMBTPXEQQY-DTZQCDIJSA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102994 792116041 /nfs/dbraw/zinc/11/60/41/792116041.db2.gz OAJSEMBTPXEQQY-DTZQCDIJSA-N 2 1 356.467 -1.359 20 0 FAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)CCC1 ZINC001193737715 792157785 /nfs/dbraw/zinc/15/77/85/792157785.db2.gz FQUPPBOYJKFONG-RBSFLKMASA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)CCC1 ZINC001193737716 792157717 /nfs/dbraw/zinc/15/77/17/792157717.db2.gz FQUPPBOYJKFONG-RRFJBIMHSA-N 2 1 351.451 -1.110 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765599 792161080 /nfs/dbraw/zinc/16/10/80/792161080.db2.gz DFMFSNPMJZVZRB-RBSFLKMASA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765600 792161055 /nfs/dbraw/zinc/16/10/55/792161055.db2.gz DFMFSNPMJZVZRB-RRFJBIMHSA-N 2 1 359.467 -1.344 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766314 792160958 /nfs/dbraw/zinc/16/09/58/792160958.db2.gz RTTOQTLKLMKHOF-HUUCEWRRSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766314 792160954 /nfs/dbraw/zinc/16/09/54/792160954.db2.gz RTTOQTLKLMKHOF-HUUCEWRRSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791905 792159995 /nfs/dbraw/zinc/15/99/95/792159995.db2.gz STUDLEVIRPBJJG-BZUAXINKSA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791908 792159515 /nfs/dbraw/zinc/15/95/15/792159515.db2.gz STUDLEVIRPBJJG-OAGGEKHMSA-N 2 1 356.467 -1.359 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805915 792162500 /nfs/dbraw/zinc/16/25/00/792162500.db2.gz UKVXLZUFHCVIDU-ARFHVFGLSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805915 792162495 /nfs/dbraw/zinc/16/24/95/792162495.db2.gz UKVXLZUFHCVIDU-ARFHVFGLSA-N 2 1 351.451 -1.110 20 0 FAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805915 792162491 /nfs/dbraw/zinc/16/24/91/792162491.db2.gz UKVXLZUFHCVIDU-ARFHVFGLSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805916 792162249 /nfs/dbraw/zinc/16/22/49/792162249.db2.gz UKVXLZUFHCVIDU-BZUAXINKSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805916 792162246 /nfs/dbraw/zinc/16/22/46/792162246.db2.gz UKVXLZUFHCVIDU-BZUAXINKSA-N 2 1 351.451 -1.110 20 0 FAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C1CCC1 ZINC001193805916 792162241 /nfs/dbraw/zinc/16/22/41/792162241.db2.gz UKVXLZUFHCVIDU-BZUAXINKSA-N 2 1 351.451 -1.110 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821677 792163474 /nfs/dbraw/zinc/16/34/74/792163474.db2.gz PWMUDWCXKQOCTM-HZPDHXFCSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821677 792163470 /nfs/dbraw/zinc/16/34/70/792163470.db2.gz PWMUDWCXKQOCTM-HZPDHXFCSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821677 792163466 /nfs/dbraw/zinc/16/34/66/792163466.db2.gz PWMUDWCXKQOCTM-HZPDHXFCSA-N 2 1 356.467 -1.215 20 0 FAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821682 792163621 /nfs/dbraw/zinc/16/36/21/792163621.db2.gz QAGWRFXUKQCRIQ-ARFHVFGLSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821682 792163617 /nfs/dbraw/zinc/16/36/17/792163617.db2.gz QAGWRFXUKQCRIQ-ARFHVFGLSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821682 792163611 /nfs/dbraw/zinc/16/36/11/792163611.db2.gz QAGWRFXUKQCRIQ-ARFHVFGLSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821683 792163572 /nfs/dbraw/zinc/16/35/72/792163572.db2.gz QAGWRFXUKQCRIQ-BZUAXINKSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821683 792163567 /nfs/dbraw/zinc/16/35/67/792163567.db2.gz QAGWRFXUKQCRIQ-BZUAXINKSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821683 792163562 /nfs/dbraw/zinc/16/35/62/792163562.db2.gz QAGWRFXUKQCRIQ-BZUAXINKSA-N 2 1 359.467 -1.344 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960928 792170236 /nfs/dbraw/zinc/17/02/36/792170236.db2.gz JCJMBXDOCVPMNT-OAGGEKHMSA-N 2 1 358.483 -1.113 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001194095660 792178670 /nfs/dbraw/zinc/17/86/70/792178670.db2.gz KPEVSZPLFUIVRV-GBJTYRQASA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001194095660 792178666 /nfs/dbraw/zinc/17/86/66/792178666.db2.gz KPEVSZPLFUIVRV-GBJTYRQASA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095885 792178058 /nfs/dbraw/zinc/17/80/58/792178058.db2.gz UKPRMJMGUJUZOE-JHJVBQTASA-N 2 1 355.439 -1.570 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095885 792178049 /nfs/dbraw/zinc/17/80/49/792178049.db2.gz UKPRMJMGUJUZOE-JHJVBQTASA-N 2 1 355.439 -1.570 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102399 792179520 /nfs/dbraw/zinc/17/95/20/792179520.db2.gz KHAWXQOZEJNZAN-RBSFLKMASA-N 2 1 359.467 -1.487 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102402 792179605 /nfs/dbraw/zinc/17/96/05/792179605.db2.gz KHAWXQOZEJNZAN-RRFJBIMHSA-N 2 1 359.467 -1.487 20 0 FAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194102723 792179796 /nfs/dbraw/zinc/17/97/96/792179796.db2.gz NVVMQQDOAIVETH-HUUCEWRRSA-N 2 1 359.467 -1.485 20 0 FAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194102723 792179791 /nfs/dbraw/zinc/17/97/91/792179791.db2.gz NVVMQQDOAIVETH-HUUCEWRRSA-N 2 1 359.467 -1.485 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001194259559 792191260 /nfs/dbraw/zinc/19/12/60/792191260.db2.gz YLFXXYBMMZDPNS-RBSFLKMASA-N 2 1 361.483 -1.098 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001194259559 792191257 /nfs/dbraw/zinc/19/12/57/792191257.db2.gz YLFXXYBMMZDPNS-RBSFLKMASA-N 2 1 361.483 -1.098 20 0 FAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001194259559 792191254 /nfs/dbraw/zinc/19/12/54/792191254.db2.gz YLFXXYBMMZDPNS-RBSFLKMASA-N 2 1 361.483 -1.098 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001194259562 792191518 /nfs/dbraw/zinc/19/15/18/792191518.db2.gz YLFXXYBMMZDPNS-RRFJBIMHSA-N 2 1 361.483 -1.098 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001194259562 792191510 /nfs/dbraw/zinc/19/15/10/792191510.db2.gz YLFXXYBMMZDPNS-RRFJBIMHSA-N 2 1 361.483 -1.098 20 0 FAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001194259562 792191507 /nfs/dbraw/zinc/19/15/07/792191507.db2.gz YLFXXYBMMZDPNS-RRFJBIMHSA-N 2 1 361.483 -1.098 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001194832828 792216944 /nfs/dbraw/zinc/21/69/44/792216944.db2.gz UFELZOZOGXIYON-QJNCVLDKSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832828 792216933 /nfs/dbraw/zinc/21/69/33/792216933.db2.gz UFELZOZOGXIYON-QJNCVLDKSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832828 792216924 /nfs/dbraw/zinc/21/69/24/792216924.db2.gz UFELZOZOGXIYON-QJNCVLDKSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832828 792216914 /nfs/dbraw/zinc/21/69/14/792216914.db2.gz UFELZOZOGXIYON-QJNCVLDKSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001194832833 792217044 /nfs/dbraw/zinc/21/70/44/792217044.db2.gz UFELZOZOGXIYON-VXSWHIBVSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832833 792217038 /nfs/dbraw/zinc/21/70/38/792217038.db2.gz UFELZOZOGXIYON-VXSWHIBVSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832833 792217032 /nfs/dbraw/zinc/21/70/32/792217032.db2.gz UFELZOZOGXIYON-VXSWHIBVSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832833 792217025 /nfs/dbraw/zinc/21/70/25/792217025.db2.gz UFELZOZOGXIYON-VXSWHIBVSA-N 2 1 355.435 -1.980 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001195676294 792256393 /nfs/dbraw/zinc/25/63/93/792256393.db2.gz BKEDKHJLVOXUOZ-VXGBXAGGSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001195676294 792256386 /nfs/dbraw/zinc/25/63/86/792256386.db2.gz BKEDKHJLVOXUOZ-VXGBXAGGSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001195676657 792256510 /nfs/dbraw/zinc/25/65/10/792256510.db2.gz HPHVSMYRLVFUOZ-RBSFLKMASA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001195676659 792256710 /nfs/dbraw/zinc/25/67/10/792256710.db2.gz HPHVSMYRLVFUOZ-RRFJBIMHSA-N 2 1 351.451 -1.253 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677053 792256575 /nfs/dbraw/zinc/25/65/75/792256575.db2.gz LOVYZJIGKDRUGE-HUUCEWRRSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677053 792256569 /nfs/dbraw/zinc/25/65/69/792256569.db2.gz LOVYZJIGKDRUGE-HUUCEWRRSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001195677205 792256759 /nfs/dbraw/zinc/25/67/59/792256759.db2.gz OOPXGPCYNLJXJF-CHWSQXEVSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001195677205 792256750 /nfs/dbraw/zinc/25/67/50/792256750.db2.gz OOPXGPCYNLJXJF-CHWSQXEVSA-N 2 1 352.435 -1.362 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677268 792256823 /nfs/dbraw/zinc/25/68/23/792256823.db2.gz PLHHBFDCKDRPNZ-RBSFLKMASA-N 2 1 359.467 -1.487 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677271 792256930 /nfs/dbraw/zinc/25/69/30/792256930.db2.gz PLHHBFDCKDRPNZ-RRFJBIMHSA-N 2 1 359.467 -1.487 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700343 792258574 /nfs/dbraw/zinc/25/85/74/792258574.db2.gz ASGFJSWZPOBMNT-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700343 792258567 /nfs/dbraw/zinc/25/85/67/792258567.db2.gz ASGFJSWZPOBMNT-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001195701905 792259242 /nfs/dbraw/zinc/25/92/42/792259242.db2.gz SQRFYTMDTFORIV-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001195701905 792259239 /nfs/dbraw/zinc/25/92/39/792259239.db2.gz SQRFYTMDTFORIV-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001195708682 792258962 /nfs/dbraw/zinc/25/89/62/792258962.db2.gz RUCJZMUYDBXKDN-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709091 792258989 /nfs/dbraw/zinc/25/89/89/792258989.db2.gz WNIJWAURZVNRHM-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709091 792258987 /nfs/dbraw/zinc/25/89/87/792258987.db2.gz WNIJWAURZVNRHM-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828981 792267257 /nfs/dbraw/zinc/26/72/57/792267257.db2.gz NBGWXUINIKPMHK-ARFHVFGLSA-N 2 1 359.467 -1.487 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828982 792266608 /nfs/dbraw/zinc/26/66/08/792266608.db2.gz NBGWXUINIKPMHK-BZUAXINKSA-N 2 1 359.467 -1.487 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829715 792266797 /nfs/dbraw/zinc/26/67/97/792266797.db2.gz VEOHZZAOSJHFKP-HZPDHXFCSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001195859007 792265026 /nfs/dbraw/zinc/26/50/26/792265026.db2.gz AQAYRRYXMRNRHL-BFHYXJOUSA-N 2 1 362.496 -1.619 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001195859008 792265150 /nfs/dbraw/zinc/26/51/50/792265150.db2.gz AQAYRRYXMRNRHL-MGPQQGTHSA-N 2 1 362.496 -1.619 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860393 792265135 /nfs/dbraw/zinc/26/51/35/792265135.db2.gz XGFIKASBVBCKAT-CHWSQXEVSA-N 2 1 350.485 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860393 792265129 /nfs/dbraw/zinc/26/51/29/792265129.db2.gz XGFIKASBVBCKAT-CHWSQXEVSA-N 2 1 350.485 -1.571 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001195869222 792267048 /nfs/dbraw/zinc/26/70/48/792267048.db2.gz AHDGWKHMCCLMLF-JHJVBQTASA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001195869222 792267042 /nfs/dbraw/zinc/26/70/42/792267042.db2.gz AHDGWKHMCCLMLF-JHJVBQTASA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001195869223 792266832 /nfs/dbraw/zinc/26/68/32/792266832.db2.gz AHDGWKHMCCLMLF-YNEHKIRRSA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001195869223 792266821 /nfs/dbraw/zinc/26/68/21/792266821.db2.gz AHDGWKHMCCLMLF-YNEHKIRRSA-N 2 1 356.423 -2.391 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869427 792266781 /nfs/dbraw/zinc/26/67/81/792266781.db2.gz DBYGLMXJEQKFBI-CHWSQXEVSA-N 2 1 350.485 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869427 792266771 /nfs/dbraw/zinc/26/67/71/792266771.db2.gz DBYGLMXJEQKFBI-CHWSQXEVSA-N 2 1 350.485 -1.619 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001195871260 792268627 /nfs/dbraw/zinc/26/86/27/792268627.db2.gz PDSCBSQRXGBVSW-VXGBXAGGSA-N 2 1 355.439 -1.570 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001195871260 792268620 /nfs/dbraw/zinc/26/86/20/792268620.db2.gz PDSCBSQRXGBVSW-VXGBXAGGSA-N 2 1 355.439 -1.570 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1O ZINC001195871999 792268176 /nfs/dbraw/zinc/26/81/76/792268176.db2.gz WLIMGIWSQVNHNZ-FVQBIDKESA-N 2 1 359.467 -1.344 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1O ZINC001195872000 792268113 /nfs/dbraw/zinc/26/81/13/792268113.db2.gz WLIMGIWSQVNHNZ-NUEKZKHPSA-N 2 1 359.467 -1.344 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980878 792269565 /nfs/dbraw/zinc/26/95/65/792269565.db2.gz JCJMBXDOCVPMNT-BZUAXINKSA-N 2 1 358.483 -1.113 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196167339 792276684 /nfs/dbraw/zinc/27/66/84/792276684.db2.gz DRAFZDAEUSYBAL-FVQBIDKESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196167339 792276677 /nfs/dbraw/zinc/27/66/77/792276677.db2.gz DRAFZDAEUSYBAL-FVQBIDKESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196167339 792276671 /nfs/dbraw/zinc/27/66/71/792276671.db2.gz DRAFZDAEUSYBAL-FVQBIDKESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196167339 792276666 /nfs/dbraw/zinc/27/66/66/792276666.db2.gz DRAFZDAEUSYBAL-FVQBIDKESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196167342 792277079 /nfs/dbraw/zinc/27/70/79/792277079.db2.gz DRAFZDAEUSYBAL-NUEKZKHPSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196167342 792277069 /nfs/dbraw/zinc/27/70/69/792277069.db2.gz DRAFZDAEUSYBAL-NUEKZKHPSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196167342 792277057 /nfs/dbraw/zinc/27/70/57/792277057.db2.gz DRAFZDAEUSYBAL-NUEKZKHPSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196167342 792277048 /nfs/dbraw/zinc/27/70/48/792277048.db2.gz DRAFZDAEUSYBAL-NUEKZKHPSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196167669 792276598 /nfs/dbraw/zinc/27/65/98/792276598.db2.gz FEXLHLKDGPCJRE-FVQBIDKESA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196167669 792276591 /nfs/dbraw/zinc/27/65/91/792276591.db2.gz FEXLHLKDGPCJRE-FVQBIDKESA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196167669 792276587 /nfs/dbraw/zinc/27/65/87/792276587.db2.gz FEXLHLKDGPCJRE-FVQBIDKESA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196167669 792276580 /nfs/dbraw/zinc/27/65/80/792276580.db2.gz FEXLHLKDGPCJRE-FVQBIDKESA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196167671 792277388 /nfs/dbraw/zinc/27/73/88/792277388.db2.gz FEXLHLKDGPCJRE-NUEKZKHPSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196167671 792277383 /nfs/dbraw/zinc/27/73/83/792277383.db2.gz FEXLHLKDGPCJRE-NUEKZKHPSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196167671 792277379 /nfs/dbraw/zinc/27/73/79/792277379.db2.gz FEXLHLKDGPCJRE-NUEKZKHPSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196167671 792277372 /nfs/dbraw/zinc/27/73/72/792277372.db2.gz FEXLHLKDGPCJRE-NUEKZKHPSA-N 2 1 356.467 -1.358 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001196267921 792280691 /nfs/dbraw/zinc/28/06/91/792280691.db2.gz KPEVSZPLFUIVRV-LJISPDSOSA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)[NH+](C)C ZINC001196267921 792280683 /nfs/dbraw/zinc/28/06/83/792280683.db2.gz KPEVSZPLFUIVRV-LJISPDSOSA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001196276702 792283689 /nfs/dbraw/zinc/28/36/89/792283689.db2.gz UKPRMJMGUJUZOE-FRRDWIJNSA-N 2 1 355.439 -1.570 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001196276702 792283679 /nfs/dbraw/zinc/28/36/79/792283679.db2.gz UKPRMJMGUJUZOE-FRRDWIJNSA-N 2 1 355.439 -1.570 20 0 FAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196306773 792281798 /nfs/dbraw/zinc/28/17/98/792281798.db2.gz IZUXGOCEUKYCDA-ARFHVFGLSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196306773 792281789 /nfs/dbraw/zinc/28/17/89/792281789.db2.gz IZUXGOCEUKYCDA-ARFHVFGLSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196306774 792281489 /nfs/dbraw/zinc/28/14/89/792281489.db2.gz IZUXGOCEUKYCDA-BZUAXINKSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196306774 792281481 /nfs/dbraw/zinc/28/14/81/792281481.db2.gz IZUXGOCEUKYCDA-BZUAXINKSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798802 792311587 /nfs/dbraw/zinc/31/15/87/792311587.db2.gz UEWDFPWCNWOKBA-RBSFLKMASA-N 2 1 355.439 -1.773 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798803 792311989 /nfs/dbraw/zinc/31/19/89/792311989.db2.gz UEWDFPWCNWOKBA-RRFJBIMHSA-N 2 1 355.439 -1.773 20 0 FAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001196799091 792312143 /nfs/dbraw/zinc/31/21/43/792312143.db2.gz ZTGMMRLULVBFRH-HUUCEWRRSA-N 2 1 355.439 -1.772 20 0 FAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cn1 ZINC001196799091 792312132 /nfs/dbraw/zinc/31/21/32/792312132.db2.gz ZTGMMRLULVBFRH-HUUCEWRRSA-N 2 1 355.439 -1.772 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939427 792323391 /nfs/dbraw/zinc/32/33/91/792323391.db2.gz ICBMOTMQEHYERJ-ARFHVFGLSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939427 792323384 /nfs/dbraw/zinc/32/33/84/792323384.db2.gz ICBMOTMQEHYERJ-ARFHVFGLSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939428 792324146 /nfs/dbraw/zinc/32/41/46/792324146.db2.gz ICBMOTMQEHYERJ-BZUAXINKSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939428 792324142 /nfs/dbraw/zinc/32/41/42/792324142.db2.gz ICBMOTMQEHYERJ-BZUAXINKSA-N 2 1 359.467 -1.343 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197058054 792331460 /nfs/dbraw/zinc/33/14/60/792331460.db2.gz LWYDVVYPRBGMRY-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197058054 792331448 /nfs/dbraw/zinc/33/14/48/792331448.db2.gz LWYDVVYPRBGMRY-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001197058409 792332537 /nfs/dbraw/zinc/33/25/37/792332537.db2.gz SIDSKIZBLNMCFV-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001197058409 792332526 /nfs/dbraw/zinc/33/25/26/792332526.db2.gz SIDSKIZBLNMCFV-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001197319456 792343691 /nfs/dbraw/zinc/34/36/91/792343691.db2.gz IHGQTLAGSZYHMH-HUUCEWRRSA-N 2 1 352.439 -1.450 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001197319456 792343679 /nfs/dbraw/zinc/34/36/79/792343679.db2.gz IHGQTLAGSZYHMH-HUUCEWRRSA-N 2 1 352.439 -1.450 20 0 FAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319647 792343652 /nfs/dbraw/zinc/34/36/52/792343652.db2.gz NABNCUMNZKQADQ-HZPDHXFCSA-N 2 1 359.467 -1.079 20 0 FAADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319647 792343644 /nfs/dbraw/zinc/34/36/44/792343644.db2.gz NABNCUMNZKQADQ-HZPDHXFCSA-N 2 1 359.467 -1.079 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493255 792358663 /nfs/dbraw/zinc/35/86/63/792358663.db2.gz HVPJRSGUXMLSEM-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493255 792358651 /nfs/dbraw/zinc/35/86/51/792358651.db2.gz HVPJRSGUXMLSEM-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493255 792358640 /nfs/dbraw/zinc/35/86/40/792358640.db2.gz HVPJRSGUXMLSEM-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197493474 792358616 /nfs/dbraw/zinc/35/86/16/792358616.db2.gz OVADRDDUKGOKFY-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197493474 792358604 /nfs/dbraw/zinc/35/86/04/792358604.db2.gz OVADRDDUKGOKFY-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197493474 792358595 /nfs/dbraw/zinc/35/85/95/792358595.db2.gz OVADRDDUKGOKFY-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197493474 792358590 /nfs/dbraw/zinc/35/85/90/792358590.db2.gz OVADRDDUKGOKFY-ZIAGYGMSSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197535942 792357789 /nfs/dbraw/zinc/35/77/89/792357789.db2.gz FXEMICYTKVUITP-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197535942 792357777 /nfs/dbraw/zinc/35/77/77/792357777.db2.gz FXEMICYTKVUITP-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197535942 792357766 /nfs/dbraw/zinc/35/77/66/792357766.db2.gz FXEMICYTKVUITP-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197535942 792357752 /nfs/dbraw/zinc/35/77/52/792357752.db2.gz FXEMICYTKVUITP-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197536676 792357549 /nfs/dbraw/zinc/35/75/49/792357549.db2.gz ZRGURJMBMDRFQZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197536676 792357536 /nfs/dbraw/zinc/35/75/36/792357536.db2.gz ZRGURJMBMDRFQZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197536676 792357524 /nfs/dbraw/zinc/35/75/24/792357524.db2.gz ZRGURJMBMDRFQZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001197536676 792357511 /nfs/dbraw/zinc/35/75/11/792357511.db2.gz ZRGURJMBMDRFQZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1=O ZINC001197783896 792376186 /nfs/dbraw/zinc/37/61/86/792376186.db2.gz RHINLSZUOCGEPP-HUUCEWRRSA-N 2 1 352.435 -1.375 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792163 792375483 /nfs/dbraw/zinc/37/54/83/792375483.db2.gz LAQQVJJTTXGPSY-ARFHVFGLSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792163 792375477 /nfs/dbraw/zinc/37/54/77/792375477.db2.gz LAQQVJJTTXGPSY-ARFHVFGLSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792163 792375473 /nfs/dbraw/zinc/37/54/73/792375473.db2.gz LAQQVJJTTXGPSY-ARFHVFGLSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792164 792375742 /nfs/dbraw/zinc/37/57/42/792375742.db2.gz LAQQVJJTTXGPSY-BZUAXINKSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792164 792375732 /nfs/dbraw/zinc/37/57/32/792375732.db2.gz LAQQVJJTTXGPSY-BZUAXINKSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792164 792375727 /nfs/dbraw/zinc/37/57/27/792375727.db2.gz LAQQVJJTTXGPSY-BZUAXINKSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001197792619 792375353 /nfs/dbraw/zinc/37/53/53/792375353.db2.gz ODJNMJPUPUBTBI-HUUCEWRRSA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197792893 792375811 /nfs/dbraw/zinc/37/58/11/792375811.db2.gz SNTRSZBPYVJXHM-RBSFLKMASA-N 2 1 355.439 -2.017 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197792894 792376040 /nfs/dbraw/zinc/37/60/40/792376040.db2.gz SNTRSZBPYVJXHM-RRFJBIMHSA-N 2 1 355.439 -2.017 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819702 792378158 /nfs/dbraw/zinc/37/81/58/792378158.db2.gz KLDTYGZHFSFIAI-RBSFLKMASA-N 2 1 357.451 -1.733 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819703 792377824 /nfs/dbraw/zinc/37/78/24/792377824.db2.gz KLDTYGZHFSFIAI-RRFJBIMHSA-N 2 1 357.451 -1.733 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819982 792377403 /nfs/dbraw/zinc/37/74/03/792377403.db2.gz RNIFRBDKGSCOAM-HUUCEWRRSA-N 2 1 354.451 -1.604 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819982 792377399 /nfs/dbraw/zinc/37/73/99/792377399.db2.gz RNIFRBDKGSCOAM-HUUCEWRRSA-N 2 1 354.451 -1.604 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001197825480 792379068 /nfs/dbraw/zinc/37/90/68/792379068.db2.gz FGXSDFMADVXBOO-ARFHVFGLSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001197825480 792379057 /nfs/dbraw/zinc/37/90/57/792379057.db2.gz FGXSDFMADVXBOO-ARFHVFGLSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001197825667 792379190 /nfs/dbraw/zinc/37/91/90/792379190.db2.gz FGXSDFMADVXBOO-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001197825667 792379179 /nfs/dbraw/zinc/37/91/79/792379179.db2.gz FGXSDFMADVXBOO-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197825758 792378597 /nfs/dbraw/zinc/37/85/97/792378597.db2.gz HWLJDOPZMSKMRT-HUUCEWRRSA-N 2 1 354.455 -1.366 20 0 FAADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197825758 792378584 /nfs/dbraw/zinc/37/85/84/792378584.db2.gz HWLJDOPZMSKMRT-HUUCEWRRSA-N 2 1 354.455 -1.366 20 0 FAADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825784 792378966 /nfs/dbraw/zinc/37/89/66/792378966.db2.gz IJSUCFINCYLOJZ-ARFHVFGLSA-N 2 1 361.483 -1.241 20 0 FAADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825798 792379612 /nfs/dbraw/zinc/37/96/12/792379612.db2.gz IJSUCFINCYLOJZ-BZUAXINKSA-N 2 1 361.483 -1.241 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001197825819 792379436 /nfs/dbraw/zinc/37/94/36/792379436.db2.gz IYLPEPJYXGNQSB-ARFHVFGLSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001197825821 792379723 /nfs/dbraw/zinc/37/97/23/792379723.db2.gz IYLPEPJYXGNQSB-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825978 792379379 /nfs/dbraw/zinc/37/93/79/792379379.db2.gz JYIUACMAWHHSRB-HUUCEWRRSA-N 2 1 360.455 -2.121 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825978 792379372 /nfs/dbraw/zinc/37/93/72/792379372.db2.gz JYIUACMAWHHSRB-HUUCEWRRSA-N 2 1 360.455 -2.121 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001197826049 792379576 /nfs/dbraw/zinc/37/95/76/792379576.db2.gz OBOVNWLHOGENFW-BFHYXJOUSA-N 2 1 352.439 -1.495 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001197826050 792378621 /nfs/dbraw/zinc/37/86/21/792378621.db2.gz OBOVNWLHOGENFW-MGPQQGTHSA-N 2 1 352.439 -1.495 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826251 792379325 /nfs/dbraw/zinc/37/93/25/792379325.db2.gz SJTUSQGIPYNDRR-RBSFLKMASA-N 2 1 363.455 -2.250 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826252 792379152 /nfs/dbraw/zinc/37/91/52/792379152.db2.gz SJTUSQGIPYNDRR-RRFJBIMHSA-N 2 1 363.455 -2.250 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197826457 792379668 /nfs/dbraw/zinc/37/96/68/792379668.db2.gz YBKDVAGETPRCRP-CHWSQXEVSA-N 2 1 356.423 -2.125 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197826457 792379657 /nfs/dbraw/zinc/37/96/57/792379657.db2.gz YBKDVAGETPRCRP-CHWSQXEVSA-N 2 1 356.423 -2.125 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197826485 792379214 /nfs/dbraw/zinc/37/92/14/792379214.db2.gz ZECVEDRXINGXSQ-RBSFLKMASA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197826486 792379541 /nfs/dbraw/zinc/37/95/41/792379541.db2.gz ZECVEDRXINGXSQ-RRFJBIMHSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197826491 792379042 /nfs/dbraw/zinc/37/90/42/792379042.db2.gz ZQLGXMGPBRDAAS-VXGBXAGGSA-N 2 1 357.411 -2.722 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197826491 792379027 /nfs/dbraw/zinc/37/90/27/792379027.db2.gz ZQLGXMGPBRDAAS-VXGBXAGGSA-N 2 1 357.411 -2.722 20 0 FAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949220 792383068 /nfs/dbraw/zinc/38/30/68/792383068.db2.gz PSWNQDSBPZVLSV-ARFHVFGLSA-N 2 1 361.483 -1.097 20 0 FAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949226 792383360 /nfs/dbraw/zinc/38/33/60/792383360.db2.gz PSWNQDSBPZVLSV-BZUAXINKSA-N 2 1 361.483 -1.097 20 0 FAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197956352 792382978 /nfs/dbraw/zinc/38/29/78/792382978.db2.gz XJSXWCDJIGGPBO-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197956352 792382970 /nfs/dbraw/zinc/38/29/70/792382970.db2.gz XJSXWCDJIGGPBO-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001198030294 792387561 /nfs/dbraw/zinc/38/75/61/792387561.db2.gz XTQBLVDMYSLOIZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001198030294 792387549 /nfs/dbraw/zinc/38/75/49/792387549.db2.gz XTQBLVDMYSLOIZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001198030294 792387538 /nfs/dbraw/zinc/38/75/38/792387538.db2.gz XTQBLVDMYSLOIZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001198030294 792387527 /nfs/dbraw/zinc/38/75/27/792387527.db2.gz XTQBLVDMYSLOIZ-RRFJBIMHSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1O ZINC001198037913 792388200 /nfs/dbraw/zinc/38/82/00/792388200.db2.gz AUFALXFTRKGYDJ-ZIAGYGMSSA-N 2 1 364.512 -1.181 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198037973 792387480 /nfs/dbraw/zinc/38/74/80/792387480.db2.gz DUTZBOFSZRUTOK-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198037973 792387470 /nfs/dbraw/zinc/38/74/70/792387470.db2.gz DUTZBOFSZRUTOK-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198037973 792387460 /nfs/dbraw/zinc/38/74/60/792387460.db2.gz DUTZBOFSZRUTOK-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198037973 792387453 /nfs/dbraw/zinc/38/74/53/792387453.db2.gz DUTZBOFSZRUTOK-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198037973 792387442 /nfs/dbraw/zinc/38/74/42/792387442.db2.gz DUTZBOFSZRUTOK-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198038078 792388275 /nfs/dbraw/zinc/38/82/75/792388275.db2.gz JHNWSJVEXYDCFH-ARFHVFGLSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198038078 792388265 /nfs/dbraw/zinc/38/82/65/792388265.db2.gz JHNWSJVEXYDCFH-ARFHVFGLSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198038079 792387652 /nfs/dbraw/zinc/38/76/52/792387652.db2.gz JHNWSJVEXYDCFH-BZUAXINKSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198038079 792387640 /nfs/dbraw/zinc/38/76/40/792387640.db2.gz JHNWSJVEXYDCFH-BZUAXINKSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O ZINC001198038509 792387728 /nfs/dbraw/zinc/38/77/28/792387728.db2.gz UKUXMKGRCPZJNE-CHWSQXEVSA-N 2 1 350.485 -1.571 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039018 792387261 /nfs/dbraw/zinc/38/72/61/792387261.db2.gz YOHOVQBCKSGRII-JHJVBQTASA-N 2 1 357.455 -1.276 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039019 792387809 /nfs/dbraw/zinc/38/78/09/792387809.db2.gz YOHOVQBCKSGRII-YNEHKIRRSA-N 2 1 357.455 -1.276 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001198048479 792385648 /nfs/dbraw/zinc/38/56/48/792385648.db2.gz WEDGIJKLMNKFOY-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001198048479 792385641 /nfs/dbraw/zinc/38/56/41/792385641.db2.gz WEDGIJKLMNKFOY-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001198048479 792385638 /nfs/dbraw/zinc/38/56/38/792385638.db2.gz WEDGIJKLMNKFOY-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001198048479 792385632 /nfs/dbraw/zinc/38/56/32/792385632.db2.gz WEDGIJKLMNKFOY-CHWSQXEVSA-N 2 1 355.439 -1.569 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198652726 792417292 /nfs/dbraw/zinc/41/72/92/792417292.db2.gz AFZTVRGXYCNLOZ-BFHYXJOUSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198652726 792417282 /nfs/dbraw/zinc/41/72/82/792417282.db2.gz AFZTVRGXYCNLOZ-BFHYXJOUSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652726 792417271 /nfs/dbraw/zinc/41/72/71/792417271.db2.gz AFZTVRGXYCNLOZ-BFHYXJOUSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652726 792417265 /nfs/dbraw/zinc/41/72/65/792417265.db2.gz AFZTVRGXYCNLOZ-BFHYXJOUSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198652727 792417531 /nfs/dbraw/zinc/41/75/31/792417531.db2.gz AFZTVRGXYCNLOZ-MGPQQGTHSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198652727 792417524 /nfs/dbraw/zinc/41/75/24/792417524.db2.gz AFZTVRGXYCNLOZ-MGPQQGTHSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652727 792417518 /nfs/dbraw/zinc/41/75/18/792417518.db2.gz AFZTVRGXYCNLOZ-MGPQQGTHSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652727 792417511 /nfs/dbraw/zinc/41/75/11/792417511.db2.gz AFZTVRGXYCNLOZ-MGPQQGTHSA-N 2 1 362.496 -1.571 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198662046 792418804 /nfs/dbraw/zinc/41/88/04/792418804.db2.gz LPVDDLVBZOBUTL-BFHYXJOUSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198662046 792418797 /nfs/dbraw/zinc/41/87/97/792418797.db2.gz LPVDDLVBZOBUTL-BFHYXJOUSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662046 792418789 /nfs/dbraw/zinc/41/87/89/792418789.db2.gz LPVDDLVBZOBUTL-BFHYXJOUSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662046 792418779 /nfs/dbraw/zinc/41/87/79/792418779.db2.gz LPVDDLVBZOBUTL-BFHYXJOUSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198662048 792418098 /nfs/dbraw/zinc/41/80/98/792418098.db2.gz LPVDDLVBZOBUTL-MGPQQGTHSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198662048 792418093 /nfs/dbraw/zinc/41/80/93/792418093.db2.gz LPVDDLVBZOBUTL-MGPQQGTHSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662048 792418088 /nfs/dbraw/zinc/41/80/88/792418088.db2.gz LPVDDLVBZOBUTL-MGPQQGTHSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662048 792418082 /nfs/dbraw/zinc/41/80/82/792418082.db2.gz LPVDDLVBZOBUTL-MGPQQGTHSA-N 2 1 362.496 -1.619 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001199111564 792450281 /nfs/dbraw/zinc/45/02/81/792450281.db2.gz BILPFWLJNBKYHO-RRFJBIMHSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001199111564 792450276 /nfs/dbraw/zinc/45/02/76/792450276.db2.gz BILPFWLJNBKYHO-RRFJBIMHSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001199111564 792450273 /nfs/dbraw/zinc/45/02/73/792450273.db2.gz BILPFWLJNBKYHO-RRFJBIMHSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001199111564 792450266 /nfs/dbraw/zinc/45/02/66/792450266.db2.gz BILPFWLJNBKYHO-RRFJBIMHSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111989 792450892 /nfs/dbraw/zinc/45/08/92/792450892.db2.gz VTRXXHLCNKPWLF-CHWSQXEVSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111989 792450886 /nfs/dbraw/zinc/45/08/86/792450886.db2.gz VTRXXHLCNKPWLF-CHWSQXEVSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111989 792450879 /nfs/dbraw/zinc/45/08/79/792450879.db2.gz VTRXXHLCNKPWLF-CHWSQXEVSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111989 792450872 /nfs/dbraw/zinc/45/08/72/792450872.db2.gz VTRXXHLCNKPWLF-CHWSQXEVSA-N 2 1 355.439 -1.570 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001200537645 792471423 /nfs/dbraw/zinc/47/14/23/792471423.db2.gz SIKVCYJJBMENPU-FRRDWIJNSA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001200537646 792471684 /nfs/dbraw/zinc/47/16/84/792471684.db2.gz SIKVCYJJBMENPU-JHJVBQTASA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)O1 ZINC001200787399 792474386 /nfs/dbraw/zinc/47/43/86/792474386.db2.gz UEOBVFRGERIUOL-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)O1 ZINC001200787399 792474381 /nfs/dbraw/zinc/47/43/81/792474381.db2.gz UEOBVFRGERIUOL-BZUAXINKSA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)O1 ZINC001200787400 792474179 /nfs/dbraw/zinc/47/41/79/792474179.db2.gz UEOBVFRGERIUOL-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)O1 ZINC001200787400 792474172 /nfs/dbraw/zinc/47/41/72/792474172.db2.gz UEOBVFRGERIUOL-OWCLPIDISA-N 2 1 359.467 -1.079 20 0 FAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(N)=O ZINC001201229936 792475080 /nfs/dbraw/zinc/47/50/80/792475080.db2.gz IWNQCSWBYQVFNY-NQBHXWOUSA-N 2 1 355.439 -1.131 20 0 FAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(N)=O ZINC001201229936 792475076 /nfs/dbraw/zinc/47/50/76/792475076.db2.gz IWNQCSWBYQVFNY-NQBHXWOUSA-N 2 1 355.439 -1.131 20 0 FAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(N)=O ZINC001201229938 792475412 /nfs/dbraw/zinc/47/54/12/792475412.db2.gz IWNQCSWBYQVFNY-NTZNESFSSA-N 2 1 355.439 -1.131 20 0 FAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(N)=O ZINC001201229938 792475406 /nfs/dbraw/zinc/47/54/06/792475406.db2.gz IWNQCSWBYQVFNY-NTZNESFSSA-N 2 1 355.439 -1.131 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230358 792475540 /nfs/dbraw/zinc/47/55/40/792475540.db2.gz OFTIPDOGSAIQPS-DGCLKSJQSA-N 2 1 355.439 -1.258 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230358 792475537 /nfs/dbraw/zinc/47/55/37/792475537.db2.gz OFTIPDOGSAIQPS-DGCLKSJQSA-N 2 1 355.439 -1.258 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)O1 ZINC001201238567 792475167 /nfs/dbraw/zinc/47/51/67/792475167.db2.gz BNUCSBNTXYBMIU-TZMCWYRMSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)O1 ZINC001201238567 792475163 /nfs/dbraw/zinc/47/51/63/792475163.db2.gz BNUCSBNTXYBMIU-TZMCWYRMSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001205518500 792929338 /nfs/dbraw/zinc/92/93/38/792929338.db2.gz BBRAWEQBWDNWQS-DGCLKSJQSA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001205518500 792929326 /nfs/dbraw/zinc/92/93/26/792929326.db2.gz BBRAWEQBWDNWQS-DGCLKSJQSA-N 2 1 355.439 -1.271 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411404 792966273 /nfs/dbraw/zinc/96/62/73/792966273.db2.gz SWFSMZHAAMQZDW-FRRDWIJNSA-N 2 1 355.439 -1.258 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411404 792966265 /nfs/dbraw/zinc/96/62/65/792966265.db2.gz SWFSMZHAAMQZDW-FRRDWIJNSA-N 2 1 355.439 -1.258 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411405 792966640 /nfs/dbraw/zinc/96/66/40/792966640.db2.gz SWFSMZHAAMQZDW-JHJVBQTASA-N 2 1 355.439 -1.258 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411405 792966636 /nfs/dbraw/zinc/96/66/36/792966636.db2.gz SWFSMZHAAMQZDW-JHJVBQTASA-N 2 1 355.439 -1.258 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001208411578 792966245 /nfs/dbraw/zinc/96/62/45/792966245.db2.gz WZSPSKWAIBZGPL-HZSPNIEDSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001208411578 792966241 /nfs/dbraw/zinc/96/62/41/792966241.db2.gz WZSPSKWAIBZGPL-HZSPNIEDSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001208411579 792966492 /nfs/dbraw/zinc/96/64/92/792966492.db2.gz WZSPSKWAIBZGPL-MGPQQGTHSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001208411579 792966487 /nfs/dbraw/zinc/96/64/87/792966487.db2.gz WZSPSKWAIBZGPL-MGPQQGTHSA-N 2 1 362.496 -1.165 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445187 792968417 /nfs/dbraw/zinc/96/84/17/792968417.db2.gz VLWPGOLEEAHORB-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445187 792968412 /nfs/dbraw/zinc/96/84/12/792968412.db2.gz VLWPGOLEEAHORB-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496056 792970002 /nfs/dbraw/zinc/97/00/02/792970002.db2.gz IKQPBYIAAQQTKZ-TZMCWYRMSA-N 2 1 351.451 -1.028 20 0 FAADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496466 792969538 /nfs/dbraw/zinc/96/95/38/792969538.db2.gz UOTHOTZCRUXLDB-HZSPNIEDSA-N 2 1 354.451 -1.116 20 0 FAADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496467 792969747 /nfs/dbraw/zinc/96/97/47/792969747.db2.gz UOTHOTZCRUXLDB-MGPQQGTHSA-N 2 1 354.451 -1.116 20 0 FAADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CCC1=O ZINC001209279715 792978105 /nfs/dbraw/zinc/97/81/05/792978105.db2.gz XXJBBZZJCRVGHZ-IJEWVQPXSA-N 2 1 359.467 -1.044 20 0 FAADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CCC1=O ZINC001209279715 792978100 /nfs/dbraw/zinc/97/81/00/792978100.db2.gz XXJBBZZJCRVGHZ-IJEWVQPXSA-N 2 1 359.467 -1.044 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836854 792983462 /nfs/dbraw/zinc/98/34/62/792983462.db2.gz RGDJPVUDHADLQZ-DGCLKSJQSA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836854 792983452 /nfs/dbraw/zinc/98/34/52/792983452.db2.gz RGDJPVUDHADLQZ-DGCLKSJQSA-N 2 1 355.439 -1.271 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210033687 792986503 /nfs/dbraw/zinc/98/65/03/792986503.db2.gz VVPOJQXLJSFQCT-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210033687 792986497 /nfs/dbraw/zinc/98/64/97/792986497.db2.gz VVPOJQXLJSFQCT-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210033687 792986488 /nfs/dbraw/zinc/98/64/88/792986488.db2.gz VVPOJQXLJSFQCT-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210033687 792986477 /nfs/dbraw/zinc/98/64/77/792986477.db2.gz VVPOJQXLJSFQCT-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297907 792988028 /nfs/dbraw/zinc/98/80/28/792988028.db2.gz JTOSGQKQSRTRKT-FRRDWIJNSA-N 2 1 357.455 -1.155 20 0 FAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297907 792988021 /nfs/dbraw/zinc/98/80/21/792988021.db2.gz JTOSGQKQSRTRKT-FRRDWIJNSA-N 2 1 357.455 -1.155 20 0 FAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297908 792987595 /nfs/dbraw/zinc/98/75/95/792987595.db2.gz JTOSGQKQSRTRKT-JHJVBQTASA-N 2 1 357.455 -1.155 20 0 FAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297908 792987591 /nfs/dbraw/zinc/98/75/91/792987591.db2.gz JTOSGQKQSRTRKT-JHJVBQTASA-N 2 1 357.455 -1.155 20 0 FAADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299089 792987461 /nfs/dbraw/zinc/98/74/61/792987461.db2.gz XKVGKSNVBBJXRX-ZIAGYGMSSA-N 2 1 364.512 -1.060 20 0 FAADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299089 792987448 /nfs/dbraw/zinc/98/74/48/792987448.db2.gz XKVGKSNVBBJXRX-ZIAGYGMSSA-N 2 1 364.512 -1.060 20 0 FAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210299162 792987625 /nfs/dbraw/zinc/98/76/25/792987625.db2.gz YXTFMKOVQPSIQN-CHWSQXEVSA-N 2 1 350.485 -1.450 20 0 FAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210299162 792987617 /nfs/dbraw/zinc/98/76/17/792987617.db2.gz YXTFMKOVQPSIQN-CHWSQXEVSA-N 2 1 350.485 -1.450 20 0 FAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314570 792987723 /nfs/dbraw/zinc/98/77/23/792987723.db2.gz AYHKINZWNNTXFU-HUUCEWRRSA-N 2 1 356.467 -1.140 20 0 FAADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314570 792987718 /nfs/dbraw/zinc/98/77/18/792987718.db2.gz AYHKINZWNNTXFU-HUUCEWRRSA-N 2 1 356.467 -1.140 20 0 FAADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315440 792988064 /nfs/dbraw/zinc/98/80/64/792988064.db2.gz PJBPPVMKQQSFSW-ZIAGYGMSSA-N 2 1 364.512 -1.108 20 0 FAADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315440 792988057 /nfs/dbraw/zinc/98/80/57/792988057.db2.gz PJBPPVMKQQSFSW-ZIAGYGMSSA-N 2 1 364.512 -1.108 20 0 FAADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322438 792987842 /nfs/dbraw/zinc/98/78/42/792987842.db2.gz RMVXQULIJXYKCW-CHWSQXEVSA-N 2 1 355.439 -1.447 20 0 FAADMP CO[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212297816 790482637 /nfs/dbraw/zinc/48/26/37/790482637.db2.gz MBUSVMCSBXGTAR-AAVRWANBSA-N 2 1 362.496 -1.309 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346509 793019148 /nfs/dbraw/zinc/01/91/48/793019148.db2.gz QBQLKDUROUZQPB-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346509 793019144 /nfs/dbraw/zinc/01/91/44/793019144.db2.gz QBQLKDUROUZQPB-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CO[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378629 793023082 /nfs/dbraw/zinc/02/30/82/793023082.db2.gz ZQSQQLUZCHCCTG-RRFJBIMHSA-N 2 1 356.467 -1.263 20 0 FAADMP CO[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378632 793022179 /nfs/dbraw/zinc/02/21/79/793022179.db2.gz ZTIRMYDVEDBJFT-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638268 793044097 /nfs/dbraw/zinc/04/40/97/793044097.db2.gz HBZYFEDOHOAENI-FVQBIDKESA-N 2 1 359.467 -1.080 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638269 793044193 /nfs/dbraw/zinc/04/41/93/793044193.db2.gz HBZYFEDOHOAENI-NUEKZKHPSA-N 2 1 359.467 -1.080 20 0 FAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638455 793043919 /nfs/dbraw/zinc/04/39/19/793043919.db2.gz PDZYUVHCYIAAHZ-HZPDHXFCSA-N 2 1 359.467 -1.079 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213678260 793048936 /nfs/dbraw/zinc/04/89/36/793048936.db2.gz MHILXUNVLRPPRD-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213678260 793048927 /nfs/dbraw/zinc/04/89/27/793048927.db2.gz MHILXUNVLRPPRD-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213678260 793048912 /nfs/dbraw/zinc/04/89/12/793048912.db2.gz MHILXUNVLRPPRD-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213678260 793048900 /nfs/dbraw/zinc/04/89/00/793048900.db2.gz MHILXUNVLRPPRD-CHWSQXEVSA-N 2 1 355.439 -1.305 20 0 FAADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730248 793054192 /nfs/dbraw/zinc/05/41/92/793054192.db2.gz KHLXEIYYFOENHY-ZIAGYGMSSA-N 2 1 357.455 -1.595 20 0 FAADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730248 793054183 /nfs/dbraw/zinc/05/41/83/793054183.db2.gz KHLXEIYYFOENHY-ZIAGYGMSSA-N 2 1 357.455 -1.595 20 0 FAADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857384 793064370 /nfs/dbraw/zinc/06/43/70/793064370.db2.gz LKQLWIIBPVQXJL-ARFHVFGLSA-N 2 1 356.467 -1.094 20 0 FAADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857384 793064362 /nfs/dbraw/zinc/06/43/62/793064362.db2.gz LKQLWIIBPVQXJL-ARFHVFGLSA-N 2 1 356.467 -1.094 20 0 FAADMP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857384 793064354 /nfs/dbraw/zinc/06/43/54/793064354.db2.gz LKQLWIIBPVQXJL-ARFHVFGLSA-N 2 1 356.467 -1.094 20 0 FAADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857385 793064729 /nfs/dbraw/zinc/06/47/29/793064729.db2.gz LKQLWIIBPVQXJL-BZUAXINKSA-N 2 1 356.467 -1.094 20 0 FAADMP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857385 793064717 /nfs/dbraw/zinc/06/47/17/793064717.db2.gz LKQLWIIBPVQXJL-BZUAXINKSA-N 2 1 356.467 -1.094 20 0 FAADMP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857385 793064706 /nfs/dbraw/zinc/06/47/06/793064706.db2.gz LKQLWIIBPVQXJL-BZUAXINKSA-N 2 1 356.467 -1.094 20 0 FAADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386722 793084939 /nfs/dbraw/zinc/08/49/39/793084939.db2.gz KVMQCLPCEPYUGQ-BMFZPTHFSA-N 2 1 356.467 -1.094 20 0 FAADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386722 793084928 /nfs/dbraw/zinc/08/49/28/793084928.db2.gz KVMQCLPCEPYUGQ-BMFZPTHFSA-N 2 1 356.467 -1.094 20 0 FAADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386723 793084888 /nfs/dbraw/zinc/08/48/88/793084888.db2.gz KVMQCLPCEPYUGQ-FVQBIDKESA-N 2 1 356.467 -1.094 20 0 FAADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386723 793084878 /nfs/dbraw/zinc/08/48/78/793084878.db2.gz KVMQCLPCEPYUGQ-FVQBIDKESA-N 2 1 356.467 -1.094 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214388533 793084455 /nfs/dbraw/zinc/08/44/55/793084455.db2.gz AUKKNWYOFTVORG-MCIONIFRSA-N 2 1 362.496 -1.355 20 0 FAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214388533 793084443 /nfs/dbraw/zinc/08/44/43/793084443.db2.gz AUKKNWYOFTVORG-MCIONIFRSA-N 2 1 362.496 -1.355 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214388534 793084406 /nfs/dbraw/zinc/08/44/06/793084406.db2.gz AUKKNWYOFTVORG-MGPQQGTHSA-N 2 1 362.496 -1.355 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214388534 793084395 /nfs/dbraw/zinc/08/43/95/793084395.db2.gz AUKKNWYOFTVORG-MGPQQGTHSA-N 2 1 362.496 -1.355 20 0 FAADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388591 793084794 /nfs/dbraw/zinc/08/47/94/793084794.db2.gz CZHZMYSLCOIOQL-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388591 793084781 /nfs/dbraw/zinc/08/47/81/793084781.db2.gz CZHZMYSLCOIOQL-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388592 793084213 /nfs/dbraw/zinc/08/42/13/793084213.db2.gz CZHZMYSLCOIOQL-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388592 793084209 /nfs/dbraw/zinc/08/42/09/793084209.db2.gz CZHZMYSLCOIOQL-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388847 793084340 /nfs/dbraw/zinc/08/43/40/793084340.db2.gz LEBMQKUNHGJNQT-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388847 793084328 /nfs/dbraw/zinc/08/43/28/793084328.db2.gz LEBMQKUNHGJNQT-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388849 793084297 /nfs/dbraw/zinc/08/42/97/793084297.db2.gz LEBMQKUNHGJNQT-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388849 793084284 /nfs/dbraw/zinc/08/42/84/793084284.db2.gz LEBMQKUNHGJNQT-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389415 793085187 /nfs/dbraw/zinc/08/51/87/793085187.db2.gz XTIIJZRESUWBPW-MCIONIFRSA-N 2 1 362.496 -1.307 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389415 793085176 /nfs/dbraw/zinc/08/51/76/793085176.db2.gz XTIIJZRESUWBPW-MCIONIFRSA-N 2 1 362.496 -1.307 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389416 793085051 /nfs/dbraw/zinc/08/50/51/793085051.db2.gz XTIIJZRESUWBPW-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389416 793085041 /nfs/dbraw/zinc/08/50/41/793085041.db2.gz XTIIJZRESUWBPW-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389452 793084490 /nfs/dbraw/zinc/08/44/90/793084490.db2.gz ZEQLOKDIBRYWTH-JHJVBQTASA-N 2 1 355.439 -1.401 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389452 793084481 /nfs/dbraw/zinc/08/44/81/793084481.db2.gz ZEQLOKDIBRYWTH-JHJVBQTASA-N 2 1 355.439 -1.401 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389453 793084976 /nfs/dbraw/zinc/08/49/76/793084976.db2.gz ZEQLOKDIBRYWTH-UPJWGTAASA-N 2 1 355.439 -1.401 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389453 793084965 /nfs/dbraw/zinc/08/49/65/793084965.db2.gz ZEQLOKDIBRYWTH-UPJWGTAASA-N 2 1 355.439 -1.401 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214949793 793096324 /nfs/dbraw/zinc/09/63/24/793096324.db2.gz APLQXCSFQIHMIA-AAVRWANBSA-N 2 1 362.496 -1.309 20 0 FAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214949793 793096318 /nfs/dbraw/zinc/09/63/18/793096318.db2.gz APLQXCSFQIHMIA-AAVRWANBSA-N 2 1 362.496 -1.309 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950040 793096678 /nfs/dbraw/zinc/09/66/78/793096678.db2.gz KKVLQFWOWWZOOA-FDYHWXHSSA-N 2 1 355.439 -1.402 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950040 793096667 /nfs/dbraw/zinc/09/66/67/793096667.db2.gz KKVLQFWOWWZOOA-FDYHWXHSSA-N 2 1 355.439 -1.402 20 0 FAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215392876 793108759 /nfs/dbraw/zinc/10/87/59/793108759.db2.gz FZLAMROPNAZBMD-JHJVBQTASA-N 2 1 355.439 -1.273 20 0 FAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215392876 793108755 /nfs/dbraw/zinc/10/87/55/793108755.db2.gz FZLAMROPNAZBMD-JHJVBQTASA-N 2 1 355.439 -1.273 20 0 FAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215392877 793109030 /nfs/dbraw/zinc/10/90/30/793109030.db2.gz FZLAMROPNAZBMD-UPJWGTAASA-N 2 1 355.439 -1.273 20 0 FAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215392877 793109026 /nfs/dbraw/zinc/10/90/26/793109026.db2.gz FZLAMROPNAZBMD-UPJWGTAASA-N 2 1 355.439 -1.273 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929927 793116327 /nfs/dbraw/zinc/11/63/27/793116327.db2.gz LUHVGXADKLOCNT-CHWSQXEVSA-N 2 1 355.439 -1.399 20 0 FAADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215938767 793117045 /nfs/dbraw/zinc/11/70/45/793117045.db2.gz MMXKGQUKTTYOLP-FRRDWIJNSA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215938768 793117088 /nfs/dbraw/zinc/11/70/88/793117088.db2.gz MMXKGQUKTTYOLP-JHJVBQTASA-N 2 1 355.439 -1.271 20 0 FAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215938813 793116899 /nfs/dbraw/zinc/11/68/99/793116899.db2.gz NXNHCJORZQMHGO-ZIAGYGMSSA-N 2 1 362.496 -1.306 20 0 FAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001216217070 793119583 /nfs/dbraw/zinc/11/95/83/793119583.db2.gz GZUDSNRFTJJGSF-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001216503814 793122463 /nfs/dbraw/zinc/12/24/63/793122463.db2.gz XWLJKGLPPXCGCZ-ZIAGYGMSSA-N 2 1 353.467 -1.277 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001216801026 793130999 /nfs/dbraw/zinc/13/09/99/793130999.db2.gz HKADKXUXGBWEHO-MCIONIFRSA-N 2 1 362.496 -1.307 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001216801026 793130990 /nfs/dbraw/zinc/13/09/90/793130990.db2.gz HKADKXUXGBWEHO-MCIONIFRSA-N 2 1 362.496 -1.307 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001216801030 793130910 /nfs/dbraw/zinc/13/09/10/793130910.db2.gz HKADKXUXGBWEHO-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001216801030 793130901 /nfs/dbraw/zinc/13/09/01/793130901.db2.gz HKADKXUXGBWEHO-MGPQQGTHSA-N 2 1 362.496 -1.307 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001216801121 793130549 /nfs/dbraw/zinc/13/05/49/793130549.db2.gz JVPZZZYCFXDFDF-JHJVBQTASA-N 2 1 355.439 -1.401 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001216801121 793130544 /nfs/dbraw/zinc/13/05/44/793130544.db2.gz JVPZZZYCFXDFDF-JHJVBQTASA-N 2 1 355.439 -1.401 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001216801122 793130861 /nfs/dbraw/zinc/13/08/61/793130861.db2.gz JVPZZZYCFXDFDF-UPJWGTAASA-N 2 1 355.439 -1.401 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001216801122 793130854 /nfs/dbraw/zinc/13/08/54/793130854.db2.gz JVPZZZYCFXDFDF-UPJWGTAASA-N 2 1 355.439 -1.401 20 0 FAADMP C[NH+]1CCN(c2ncccc2NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001218556916 793176262 /nfs/dbraw/zinc/17/62/62/793176262.db2.gz ZRTCLRCEOZHFKC-UHFFFAOYSA-N 2 1 370.479 -1.008 20 0 FAADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218563879 793177483 /nfs/dbraw/zinc/17/74/83/793177483.db2.gz FTONAKYNDPAEDD-ONGXEEELSA-N 2 1 351.411 -1.106 20 0 FAADMP C[NH+]1CCN(c2cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)ncn2)CC1 ZINC001218572163 793177400 /nfs/dbraw/zinc/17/74/00/793177400.db2.gz GALABXZIKLPWLC-UHFFFAOYSA-N 2 1 371.467 -1.613 20 0 FAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]([NH3+])CCCNC(N)=O)ncn2)CC1 ZINC001218572197 793177967 /nfs/dbraw/zinc/17/79/67/793177967.db2.gz GPIYXBHUKKCQDE-LLVKDONJSA-N 2 1 350.427 -1.057 20 0 FAADMP C[NH+]1CCN(c2ncc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cn2)CC1 ZINC001218579612 793177653 /nfs/dbraw/zinc/17/76/53/793177653.db2.gz HJAKRFRAMQJOCF-UHFFFAOYSA-N 2 1 371.467 -1.613 20 0 FAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]([NH3+])CCCNC(N)=O)cn2)CC1 ZINC001218580635 793177991 /nfs/dbraw/zinc/17/79/91/793177991.db2.gz VISQQDQTUFDTGB-GFCCVEGCSA-N 2 1 350.427 -1.057 20 0 FAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001218581274 793177737 /nfs/dbraw/zinc/17/77/37/793177737.db2.gz AERMSWNKTIKYCW-UONOGXRCSA-N 2 1 352.435 -1.001 20 0 FAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001218581274 793177727 /nfs/dbraw/zinc/17/77/27/793177727.db2.gz AERMSWNKTIKYCW-UONOGXRCSA-N 2 1 352.435 -1.001 20 0 FAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001218600456 793178919 /nfs/dbraw/zinc/17/89/19/793178919.db2.gz JHHRWLIKXSKBIF-QWHCGFSZSA-N 2 1 353.423 -1.599 20 0 FAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001218600456 793178917 /nfs/dbraw/zinc/17/89/17/793178917.db2.gz JHHRWLIKXSKBIF-QWHCGFSZSA-N 2 1 353.423 -1.599 20 0 FAADMP Nc1cn(C(=O)[C@@H](N)CSCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619164 793179887 /nfs/dbraw/zinc/17/98/87/793179887.db2.gz ABBZJSYFIQWVHA-AWEZNQCLSA-N 2 1 368.507 -1.037 20 0 FAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218622799 793180467 /nfs/dbraw/zinc/18/04/67/793180467.db2.gz VRXLJUHLZDQESR-AWEZNQCLSA-N 2 1 351.407 -1.166 20 0 FAADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770877 793185882 /nfs/dbraw/zinc/18/58/82/793185882.db2.gz ODSYLFRDMYQCCZ-UHFFFAOYSA-N 2 1 351.411 -1.603 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2COC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775851 793186098 /nfs/dbraw/zinc/18/60/98/793186098.db2.gz DVAKQTZGHNKDOG-GUBZILKMSA-N 2 1 356.814 -1.424 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2COC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775861 793185781 /nfs/dbraw/zinc/18/57/81/793185781.db2.gz DVAKQTZGHNKDOG-KXUCPTDWSA-N 2 1 356.814 -1.424 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2COC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775862 793185994 /nfs/dbraw/zinc/18/59/94/793185994.db2.gz DVAKQTZGHNKDOG-LPEHRKFASA-N 2 1 356.814 -1.424 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2COC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775863 793186198 /nfs/dbraw/zinc/18/61/98/793186198.db2.gz DVAKQTZGHNKDOG-UTLUCORTSA-N 2 1 356.814 -1.424 20 0 FAADMP Nc1ncn(C(=O)C2([NH3+])COC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776172 793187001 /nfs/dbraw/zinc/18/70/01/793187001.db2.gz KJBDQXUBPBGCLU-BDAKNGLRSA-N 2 1 356.814 -1.642 20 0 FAADMP Nc1ncn(C(=O)C2([NH3+])COC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776178 793187026 /nfs/dbraw/zinc/18/70/26/793187026.db2.gz KJBDQXUBPBGCLU-DTWKUNHWSA-N 2 1 356.814 -1.642 20 0 FAADMP Nc1ncn(C(=O)C2([NH3+])COC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776181 793187274 /nfs/dbraw/zinc/18/72/74/793187274.db2.gz KJBDQXUBPBGCLU-IUCAKERBSA-N 2 1 356.814 -1.642 20 0 FAADMP Nc1ncn(C(=O)C2([NH3+])COC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776183 793186953 /nfs/dbraw/zinc/18/69/53/793186953.db2.gz KJBDQXUBPBGCLU-RKDXNWHRSA-N 2 1 356.814 -1.642 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776532 793186815 /nfs/dbraw/zinc/18/68/15/793186815.db2.gz LTWZVZSWSSGCFP-CHWFTXMASA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776533 793187294 /nfs/dbraw/zinc/18/72/94/793187294.db2.gz LTWZVZSWSSGCFP-VLEAKVRGSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776534 793187178 /nfs/dbraw/zinc/18/71/78/793187178.db2.gz LTWZVZSWSSGCFP-ZNSHCXBVSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776535 793187240 /nfs/dbraw/zinc/18/72/40/793187240.db2.gz LTWZVZSWSSGCFP-ZRUFSTJUSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779776 793187898 /nfs/dbraw/zinc/18/78/98/793187898.db2.gz LTWZVZSWSSGCFP-NAKRPEOUSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779778 793187786 /nfs/dbraw/zinc/18/77/86/793187786.db2.gz LTWZVZSWSSGCFP-RCWTZXSCSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779780 793187805 /nfs/dbraw/zinc/18/78/05/793187805.db2.gz LTWZVZSWSSGCFP-VPOLOUISSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779781 793187973 /nfs/dbraw/zinc/18/79/73/793187973.db2.gz LTWZVZSWSSGCFP-XWLWVQCSSA-N 2 1 369.857 -1.681 20 0 FAADMP Nc1ncn(C(=O)C[NH2+]CCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785112 793189291 /nfs/dbraw/zinc/18/92/91/793189291.db2.gz RNRLWWRIIJTUAI-GHMZBOCLSA-N 3 1 371.873 -1.432 20 0 FAADMP Nc1ncn(C(=O)C[NH2+]CCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785113 793189401 /nfs/dbraw/zinc/18/94/01/793189401.db2.gz RNRLWWRIIJTUAI-MNOVXSKESA-N 3 1 371.873 -1.432 20 0 FAADMP Nc1ncn(C(=O)C[NH2+]CCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785114 793189208 /nfs/dbraw/zinc/18/92/08/793189208.db2.gz RNRLWWRIIJTUAI-QWRGUYRKSA-N 3 1 371.873 -1.432 20 0 FAADMP Nc1ncn(C(=O)C[NH2+]CCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785115 793189426 /nfs/dbraw/zinc/18/94/26/793189426.db2.gz RNRLWWRIIJTUAI-WDEREUQCSA-N 3 1 371.873 -1.432 20 0 FAADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218965202 793193457 /nfs/dbraw/zinc/19/34/57/793193457.db2.gz GXTRKNQASXKQLX-QLFBSQMISA-N 2 1 354.451 -1.293 20 0 FAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218965202 793193453 /nfs/dbraw/zinc/19/34/53/793193453.db2.gz GXTRKNQASXKQLX-QLFBSQMISA-N 2 1 354.451 -1.293 20 0 FAADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218965203 793193436 /nfs/dbraw/zinc/19/34/36/793193436.db2.gz GXTRKNQASXKQLX-SOUVJXGZSA-N 2 1 354.451 -1.293 20 0 FAADMP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218965203 793193433 /nfs/dbraw/zinc/19/34/33/793193433.db2.gz GXTRKNQASXKQLX-SOUVJXGZSA-N 2 1 354.451 -1.293 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001218970937 793194166 /nfs/dbraw/zinc/19/41/66/793194166.db2.gz OYXBZYMYNQIFOM-LSDHHAIUSA-N 2 1 352.439 -1.232 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001218970937 793194161 /nfs/dbraw/zinc/19/41/61/793194161.db2.gz OYXBZYMYNQIFOM-LSDHHAIUSA-N 2 1 352.439 -1.232 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001218971234 793194191 /nfs/dbraw/zinc/19/41/91/793194191.db2.gz VEEARIIVHDFGPF-QLFBSQMISA-N 2 1 354.451 -1.245 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001218971236 793194032 /nfs/dbraw/zinc/19/40/32/793194032.db2.gz VEEARIIVHDFGPF-SOUVJXGZSA-N 2 1 354.451 -1.245 20 0 FAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219652231 793575613 /nfs/dbraw/zinc/57/56/13/793575613.db2.gz JKAPPVWKPWIRFA-CABCVRRESA-N 2 1 355.439 -1.772 20 0 FAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219652231 793575609 /nfs/dbraw/zinc/57/56/09/793575609.db2.gz JKAPPVWKPWIRFA-CABCVRRESA-N 2 1 355.439 -1.772 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652372 793575643 /nfs/dbraw/zinc/57/56/43/793575643.db2.gz VTJNQOOOWLALEA-CFVMTHIKSA-N 2 1 355.439 -1.773 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652373 793575550 /nfs/dbraw/zinc/57/55/50/793575550.db2.gz VTJNQOOOWLALEA-YUELXQCFSA-N 2 1 355.439 -1.773 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656166 793575494 /nfs/dbraw/zinc/57/54/94/793575494.db2.gz OAJSEMBTPXEQQY-MIGQKNRLSA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656166 793575486 /nfs/dbraw/zinc/57/54/86/793575486.db2.gz OAJSEMBTPXEQQY-MIGQKNRLSA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656166 793575483 /nfs/dbraw/zinc/57/54/83/793575483.db2.gz OAJSEMBTPXEQQY-MIGQKNRLSA-N 2 1 356.467 -1.359 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219676251 793580282 /nfs/dbraw/zinc/58/02/82/793580282.db2.gz CSNRYXYOGILJSV-NXEZZACHSA-N 2 1 358.386 -1.265 20 0 FAADMP NC(=O)NCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676252 793579806 /nfs/dbraw/zinc/57/98/06/793579806.db2.gz CVTHPIXWVVMJPY-JTQLQIEISA-N 2 1 350.445 -2.887 20 0 FAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676253 793579885 /nfs/dbraw/zinc/57/98/85/793579885.db2.gz CVTHPIXWVVMJPY-SNVBAGLBSA-N 2 1 350.445 -2.887 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219676268 793580013 /nfs/dbraw/zinc/58/00/13/793580013.db2.gz DIFPEVMRNLRSBA-CYBMUJFWSA-N 3 1 359.496 -1.788 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219676269 793580094 /nfs/dbraw/zinc/58/00/94/793580094.db2.gz DIFPEVMRNLRSBA-ZDUSSCGKSA-N 3 1 359.496 -1.788 20 0 FAADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676301 793579875 /nfs/dbraw/zinc/57/98/75/793579875.db2.gz FCGJIINHPRSSSL-GFCCVEGCSA-N 2 1 350.485 -1.130 20 0 FAADMP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676351 793580205 /nfs/dbraw/zinc/58/02/05/793580205.db2.gz HBTHSCXXPKEZRH-NEPJUHHUSA-N 2 1 350.485 -1.132 20 0 FAADMP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676352 793579939 /nfs/dbraw/zinc/57/99/39/793579939.db2.gz HBTHSCXXPKEZRH-VXGBXAGGSA-N 2 1 350.485 -1.132 20 0 FAADMP [NH3+][C@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccncc1 ZINC001219676353 793580190 /nfs/dbraw/zinc/58/01/90/793580190.db2.gz HBWJLKUMFHSGNN-AWEZNQCLSA-N 2 1 355.464 -1.307 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219676432 793580082 /nfs/dbraw/zinc/58/00/82/793580082.db2.gz KCPARQHMYYKEOX-NXEZZACHSA-N 2 1 358.386 -1.122 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219676485 793580045 /nfs/dbraw/zinc/58/00/45/793580045.db2.gz MBRUALXXTSGUIY-UKRRQHHQSA-N 2 1 360.480 -1.504 20 0 FAADMP COc1ccc([C@@H]([NH3+])CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cn1 ZINC001219676497 793579768 /nfs/dbraw/zinc/57/97/68/793579768.db2.gz MJJRBRQTABNNKP-ZDUSSCGKSA-N 2 1 371.463 -1.169 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219676517 793579787 /nfs/dbraw/zinc/57/97/87/793579787.db2.gz NIYNRUBFBICPQE-GFCCVEGCSA-N 2 1 356.452 -2.046 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219676518 793579896 /nfs/dbraw/zinc/57/98/96/793579896.db2.gz NIYNRUBFBICPQE-LBPRGKRZSA-N 2 1 356.452 -2.046 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219676557 793580176 /nfs/dbraw/zinc/58/01/76/793580176.db2.gz OVLSBDCQYVNFSB-CYBMUJFWSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219676558 793579980 /nfs/dbraw/zinc/57/99/80/793579980.db2.gz OVLSBDCQYVNFSB-ZDUSSCGKSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219676571 793580342 /nfs/dbraw/zinc/58/03/42/793580342.db2.gz PGHSYYGORIKCIY-CYBMUJFWSA-N 2 1 360.480 -1.646 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219676572 793579837 /nfs/dbraw/zinc/57/98/37/793579837.db2.gz PGHSYYGORIKCIY-ZDUSSCGKSA-N 2 1 360.480 -1.646 20 0 FAADMP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676573 793580057 /nfs/dbraw/zinc/58/00/57/793580057.db2.gz PNCWEHIMZMJPBT-GDBMZVCRSA-N 2 1 374.507 -1.114 20 0 FAADMP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676574 793580113 /nfs/dbraw/zinc/58/01/13/793580113.db2.gz PNCWEHIMZMJPBT-GOEBONIOSA-N 2 1 374.507 -1.114 20 0 FAADMP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676575 793580131 /nfs/dbraw/zinc/58/01/31/793580131.db2.gz PNCWEHIMZMJPBT-HOCLYGCPSA-N 2 1 374.507 -1.114 20 0 FAADMP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676576 793580121 /nfs/dbraw/zinc/58/01/21/793580121.db2.gz PNCWEHIMZMJPBT-ZBFHGGJFSA-N 2 1 374.507 -1.114 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219676583 793580070 /nfs/dbraw/zinc/58/00/70/793580070.db2.gz POQYHWSRPVALDQ-DZGCQCFKSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219676584 793579755 /nfs/dbraw/zinc/57/97/55/793579755.db2.gz POQYHWSRPVALDQ-HIFRSBDPSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219676585 793580035 /nfs/dbraw/zinc/58/00/35/793580035.db2.gz POQYHWSRPVALDQ-UKRRQHHQSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219676586 793580325 /nfs/dbraw/zinc/58/03/25/793580325.db2.gz POQYHWSRPVALDQ-ZFWWWQNUSA-N 2 1 360.480 -1.504 20 0 FAADMP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676625 793579966 /nfs/dbraw/zinc/57/99/66/793579966.db2.gz REIXUOFBIRPBCW-AWEZNQCLSA-N 2 1 356.448 -1.387 20 0 FAADMP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676626 793579907 /nfs/dbraw/zinc/57/99/07/793579907.db2.gz REIXUOFBIRPBCW-CQSZACIVSA-N 2 1 356.448 -1.387 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219676632 793580104 /nfs/dbraw/zinc/58/01/04/793580104.db2.gz RKLNHEDTLKLYHW-CYBMUJFWSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219676633 793579930 /nfs/dbraw/zinc/57/99/30/793579930.db2.gz RKLNHEDTLKLYHW-ZDUSSCGKSA-N 2 1 360.480 -1.504 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219676654 793580266 /nfs/dbraw/zinc/58/02/66/793580266.db2.gz RYTRIQJLWBMCAU-GFCCVEGCSA-N 2 1 373.479 -2.547 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219676655 793579729 /nfs/dbraw/zinc/57/97/29/793579729.db2.gz RYTRIQJLWBMCAU-LBPRGKRZSA-N 2 1 373.479 -2.547 20 0 FAADMP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676875 793579741 /nfs/dbraw/zinc/57/97/41/793579741.db2.gz YGGGZLDMLKPVER-AWEZNQCLSA-N 2 1 369.491 -1.051 20 0 FAADMP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676876 793581024 /nfs/dbraw/zinc/58/10/24/793581024.db2.gz YGGGZLDMLKPVER-CQSZACIVSA-N 2 1 369.491 -1.051 20 0 FAADMP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676931 793580634 /nfs/dbraw/zinc/58/06/34/793580634.db2.gz ZMHAIDZYQLHPAH-MCIONIFRSA-N 2 1 360.480 -1.648 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219678051 793581283 /nfs/dbraw/zinc/58/12/83/793581283.db2.gz AMNXMVOXEYLYAK-CABCVRRESA-N 2 1 373.523 -1.589 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219678052 793581211 /nfs/dbraw/zinc/58/12/11/793581211.db2.gz AMNXMVOXEYLYAK-GJZGRUSLSA-N 2 1 373.523 -1.589 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219678053 793580760 /nfs/dbraw/zinc/58/07/60/793580760.db2.gz AMNXMVOXEYLYAK-HUUCEWRRSA-N 2 1 373.523 -1.589 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219678054 793580797 /nfs/dbraw/zinc/58/07/97/793580797.db2.gz AMNXMVOXEYLYAK-LSDHHAIUSA-N 2 1 373.523 -1.589 20 0 FAADMP [NH3+]C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001219678067 793580679 /nfs/dbraw/zinc/58/06/79/793580679.db2.gz BCGRVBXPTRDBGE-UHFFFAOYSA-N 2 1 352.460 -1.166 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219678230 793581066 /nfs/dbraw/zinc/58/10/66/793581066.db2.gz HZMUPZZILKCOBM-HNNXBMFYSA-N 2 1 373.523 -1.589 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219678231 793580653 /nfs/dbraw/zinc/58/06/53/793580653.db2.gz HZMUPZZILKCOBM-OAHLLOKOSA-N 2 1 373.523 -1.589 20 0 FAADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678237 793580912 /nfs/dbraw/zinc/58/09/12/793580912.db2.gz IDTSSMABVKWYPW-AAEUAGOBSA-N 2 1 363.484 -2.173 20 0 FAADMP [NH3+][C@H]1CCCCN(CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1=O ZINC001219678268 793581146 /nfs/dbraw/zinc/58/11/46/793581146.db2.gz IZVJSOFHWROKJY-LBPRGKRZSA-N 2 1 361.468 -2.323 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C(F)(F)C1CC[NH2+]CC1 ZINC001219678274 793581273 /nfs/dbraw/zinc/58/12/73/793581273.db2.gz JDMJGDIZBDTZNR-UHFFFAOYSA-N 2 1 354.423 -1.028 20 0 FAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678282 793580896 /nfs/dbraw/zinc/58/08/96/793580896.db2.gz JLRXNFSQQHPTPE-CYBMUJFWSA-N 2 1 361.512 -1.590 20 0 FAADMP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678282 793580892 /nfs/dbraw/zinc/58/08/92/793580892.db2.gz JLRXNFSQQHPTPE-CYBMUJFWSA-N 2 1 361.512 -1.590 20 0 FAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678283 793581479 /nfs/dbraw/zinc/58/14/79/793581479.db2.gz JLRXNFSQQHPTPE-ZDUSSCGKSA-N 2 1 361.512 -1.590 20 0 FAADMP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678283 793581472 /nfs/dbraw/zinc/58/14/72/793581472.db2.gz JLRXNFSQQHPTPE-ZDUSSCGKSA-N 2 1 361.512 -1.590 20 0 FAADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678301 793581424 /nfs/dbraw/zinc/58/14/24/793581424.db2.gz JUFPUTNEMNBLKC-LBPRGKRZSA-N 2 1 363.484 -2.173 20 0 FAADMP CO[C@H]([C@@H](C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC001219678313 793581008 /nfs/dbraw/zinc/58/10/08/793581008.db2.gz KHLYDMBTTOSPLK-HZSPNIEDSA-N 2 1 362.496 -1.259 20 0 FAADMP COc1cccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC001219678356 793581170 /nfs/dbraw/zinc/58/11/70/793581170.db2.gz LXDDQURCTOBYBO-HNNXBMFYSA-N 2 1 370.475 -1.084 20 0 FAADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678457 793581842 /nfs/dbraw/zinc/58/18/42/793581842.db2.gz OVMHWBZDGUJQNC-ZDUSSCGKSA-N 2 1 363.484 -2.029 20 0 FAADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678527 793582112 /nfs/dbraw/zinc/58/21/12/793582112.db2.gz RRUBQYDFUOAVPF-OLZOCXBDSA-N 2 1 362.496 -1.117 20 0 FAADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678583 793581815 /nfs/dbraw/zinc/58/18/15/793581815.db2.gz USBUZCZIFKKOLU-AWEZNQCLSA-N 3 1 363.528 -1.167 20 0 FAADMP CC(=O)NCSC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678584 793582019 /nfs/dbraw/zinc/58/20/19/793582019.db2.gz USYJJYCTCGPTTO-NSHDSACASA-N 2 1 367.497 -2.508 20 0 FAADMP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678591 793581716 /nfs/dbraw/zinc/58/17/16/793581716.db2.gz VGIXYXYMWBNYKO-LBPRGKRZSA-N 2 1 363.484 -2.173 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678655 793582069 /nfs/dbraw/zinc/58/20/69/793582069.db2.gz YPUYDNLILORGBH-UHFFFAOYSA-N 2 1 371.485 -3.442 20 0 FAADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678665 793581691 /nfs/dbraw/zinc/58/16/91/793581691.db2.gz YZBIUNQJGTZWSX-VXGBXAGGSA-N 2 1 362.452 -2.264 20 0 FAADMP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678676 793582304 /nfs/dbraw/zinc/58/23/04/793582304.db2.gz ZMQSKXKDLWQIKO-ZDUSSCGKSA-N 2 1 363.484 -2.029 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219678692 793582088 /nfs/dbraw/zinc/58/20/88/793582088.db2.gz ZZHVQTJSPJSXNZ-CABCVRRESA-N 2 1 373.523 -1.446 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219678693 793582319 /nfs/dbraw/zinc/58/23/19/793582319.db2.gz ZZHVQTJSPJSXNZ-GJZGRUSLSA-N 2 1 373.523 -1.446 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219678694 793582206 /nfs/dbraw/zinc/58/22/06/793582206.db2.gz ZZHVQTJSPJSXNZ-HUUCEWRRSA-N 2 1 373.523 -1.446 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219678695 793582250 /nfs/dbraw/zinc/58/22/50/793582250.db2.gz ZZHVQTJSPJSXNZ-LSDHHAIUSA-N 2 1 373.523 -1.446 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cnc2n1CC[NH2+]CC2 ZINC001219680308 793582605 /nfs/dbraw/zinc/58/26/05/793582605.db2.gz BRJDRSDSVWRZJP-UHFFFAOYSA-N 2 1 356.452 -2.006 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cncc2c1CC[NH2+]C2 ZINC001219680686 793583009 /nfs/dbraw/zinc/58/30/09/793583009.db2.gz SSHCYCNOWXNULR-UHFFFAOYSA-N 2 1 353.448 -1.308 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(n1)CC[NH2+]C2 ZINC001219682585 793582888 /nfs/dbraw/zinc/58/28/88/793582888.db2.gz NKSRXYHVKMLBIF-UHFFFAOYSA-N 2 1 353.448 -1.308 20 0 FAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1nc2c(s1)C[NH2+]CC2 ZINC001219682612 793583130 /nfs/dbraw/zinc/58/31/30/793583130.db2.gz OKBHEECFMPOWOV-UHFFFAOYSA-N 2 1 359.477 -1.246 20 0 FAADMP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001219716682 793585478 /nfs/dbraw/zinc/58/54/78/793585478.db2.gz YEQAMPYZQGEDHN-AWEZNQCLSA-N 2 1 355.464 -1.148 20 0 FAADMP CS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001219716683 793585426 /nfs/dbraw/zinc/58/54/26/793585426.db2.gz YEQAMPYZQGEDHN-CQSZACIVSA-N 2 1 355.464 -1.148 20 0 FAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219764769 793604585 /nfs/dbraw/zinc/60/45/85/793604585.db2.gz LJHBGQCODPZDSD-ILXRZTDVSA-N 2 1 370.519 -1.189 20 0 FAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219764769 793604583 /nfs/dbraw/zinc/60/45/83/793604583.db2.gz LJHBGQCODPZDSD-ILXRZTDVSA-N 2 1 370.519 -1.189 20 0 FAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219764770 793605310 /nfs/dbraw/zinc/60/53/10/793605310.db2.gz LJHBGQCODPZDSD-QLFBSQMISA-N 2 1 370.519 -1.189 20 0 FAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219764770 793605304 /nfs/dbraw/zinc/60/53/04/793605304.db2.gz LJHBGQCODPZDSD-QLFBSQMISA-N 2 1 370.519 -1.189 20 0 FAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764928 793605042 /nfs/dbraw/zinc/60/50/42/793605042.db2.gz PLTBWQKVYARQFE-OWCLPIDISA-N 3 1 351.495 -1.151 20 0 FAADMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764928 793605036 /nfs/dbraw/zinc/60/50/36/793605036.db2.gz PLTBWQKVYARQFE-OWCLPIDISA-N 3 1 351.495 -1.151 20 0 FAADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764928 793605029 /nfs/dbraw/zinc/60/50/29/793605029.db2.gz PLTBWQKVYARQFE-OWCLPIDISA-N 3 1 351.495 -1.151 20 0 FAADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764928 793605024 /nfs/dbraw/zinc/60/50/24/793605024.db2.gz PLTBWQKVYARQFE-OWCLPIDISA-N 3 1 351.495 -1.151 20 0 FAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[NH+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764928 793605016 /nfs/dbraw/zinc/60/50/16/793605016.db2.gz PLTBWQKVYARQFE-OWCLPIDISA-N 3 1 351.495 -1.151 20 0 FAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764929 793605112 /nfs/dbraw/zinc/60/51/12/793605112.db2.gz PLTBWQKVYARQFE-PMPSAXMXSA-N 3 1 351.495 -1.151 20 0 FAADMP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764929 793605106 /nfs/dbraw/zinc/60/51/06/793605106.db2.gz PLTBWQKVYARQFE-PMPSAXMXSA-N 3 1 351.495 -1.151 20 0 FAADMP C[NH+]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764929 793605101 /nfs/dbraw/zinc/60/51/01/793605101.db2.gz PLTBWQKVYARQFE-PMPSAXMXSA-N 3 1 351.495 -1.151 20 0 FAADMP C[NH+]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764929 793605094 /nfs/dbraw/zinc/60/50/94/793605094.db2.gz PLTBWQKVYARQFE-PMPSAXMXSA-N 3 1 351.495 -1.151 20 0 FAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[NH+]3C2)OC2(CC[NH2+]CC2)C1 ZINC001219764929 793605087 /nfs/dbraw/zinc/60/50/87/793605087.db2.gz PLTBWQKVYARQFE-PMPSAXMXSA-N 3 1 351.495 -1.151 20 0 FAADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)COC1(C)C ZINC001219765820 793604613 /nfs/dbraw/zinc/60/46/13/793604613.db2.gz DITAHKVRVIBYRQ-CRWXNKLISA-N 2 1 353.467 -1.293 20 0 FAADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)COC1(C)C ZINC001219765820 793604609 /nfs/dbraw/zinc/60/46/09/793604609.db2.gz DITAHKVRVIBYRQ-CRWXNKLISA-N 2 1 353.467 -1.293 20 0 FAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C(N)=O ZINC001219766300 793604939 /nfs/dbraw/zinc/60/49/39/793604939.db2.gz PGUHKAXNMJRBHC-QNWHQSFQSA-N 2 1 354.455 -2.506 20 0 FAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C(N)=O ZINC001219766300 793604930 /nfs/dbraw/zinc/60/49/30/793604930.db2.gz PGUHKAXNMJRBHC-QNWHQSFQSA-N 2 1 354.455 -2.506 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796255 793608981 /nfs/dbraw/zinc/60/89/81/793608981.db2.gz SSOOVOMWCVQNQD-UHFFFAOYSA-N 2 1 361.512 -1.461 20 0 FAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)CCC1 ZINC001219798124 793608822 /nfs/dbraw/zinc/60/88/22/793608822.db2.gz FQUPPBOYJKFONG-KFWWJZLASA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)CCC1 ZINC001219798125 793609262 /nfs/dbraw/zinc/60/92/62/793609262.db2.gz FQUPPBOYJKFONG-ZNMIVQPWSA-N 2 1 351.451 -1.110 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802019 793610519 /nfs/dbraw/zinc/61/05/19/793610519.db2.gz DFMFSNPMJZVZRB-KFWWJZLASA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802020 793610302 /nfs/dbraw/zinc/61/03/02/793610302.db2.gz DFMFSNPMJZVZRB-ZNMIVQPWSA-N 2 1 359.467 -1.344 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802519 793610363 /nfs/dbraw/zinc/61/03/63/793610363.db2.gz RTTOQTLKLMKHOF-CABCVRRESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802519 793610361 /nfs/dbraw/zinc/61/03/61/793610361.db2.gz RTTOQTLKLMKHOF-CABCVRRESA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804345 793610071 /nfs/dbraw/zinc/61/00/71/793610071.db2.gz STUDLEVIRPBJJG-OWCLPIDISA-N 2 1 356.467 -1.359 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804346 793610464 /nfs/dbraw/zinc/61/04/64/793610464.db2.gz STUDLEVIRPBJJG-PMPSAXMXSA-N 2 1 356.467 -1.359 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805746 793609957 /nfs/dbraw/zinc/60/99/57/793609957.db2.gz BYVNYVUXYQMYMO-UHFFFAOYSA-N 2 1 372.451 -2.427 20 0 FAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806207 793610257 /nfs/dbraw/zinc/61/02/57/793610257.db2.gz OAPUQBJGZNGHJH-LLVKDONJSA-N 2 1 351.411 -1.871 20 0 FAADMP NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806208 793609970 /nfs/dbraw/zinc/60/99/70/793609970.db2.gz OAPUQBJGZNGHJH-NSHDSACASA-N 2 1 351.411 -1.871 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814043 793612204 /nfs/dbraw/zinc/61/22/04/793612204.db2.gz PWMUDWCXKQOCTM-CVEARBPZSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814043 793612200 /nfs/dbraw/zinc/61/22/00/793612200.db2.gz PWMUDWCXKQOCTM-CVEARBPZSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814043 793612197 /nfs/dbraw/zinc/61/21/97/793612197.db2.gz PWMUDWCXKQOCTM-CVEARBPZSA-N 2 1 356.467 -1.215 20 0 FAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814048 793612312 /nfs/dbraw/zinc/61/23/12/793612312.db2.gz QAGWRFXUKQCRIQ-OAGGEKHMSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814048 793612307 /nfs/dbraw/zinc/61/23/07/793612307.db2.gz QAGWRFXUKQCRIQ-OAGGEKHMSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814048 793612301 /nfs/dbraw/zinc/61/23/01/793612301.db2.gz QAGWRFXUKQCRIQ-OAGGEKHMSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814049 793612172 /nfs/dbraw/zinc/61/21/72/793612172.db2.gz QAGWRFXUKQCRIQ-XHSDSOJGSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814049 793612170 /nfs/dbraw/zinc/61/21/70/793612170.db2.gz QAGWRFXUKQCRIQ-XHSDSOJGSA-N 2 1 359.467 -1.344 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814049 793612166 /nfs/dbraw/zinc/61/21/66/793612166.db2.gz QAGWRFXUKQCRIQ-XHSDSOJGSA-N 2 1 359.467 -1.344 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815996 793612413 /nfs/dbraw/zinc/61/24/13/793612413.db2.gz UKVXLZUFHCVIDU-OAGGEKHMSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815996 793612410 /nfs/dbraw/zinc/61/24/10/793612410.db2.gz UKVXLZUFHCVIDU-OAGGEKHMSA-N 2 1 351.451 -1.110 20 0 FAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815996 793612407 /nfs/dbraw/zinc/61/24/07/793612407.db2.gz UKVXLZUFHCVIDU-OAGGEKHMSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815997 793612234 /nfs/dbraw/zinc/61/22/34/793612234.db2.gz UKVXLZUFHCVIDU-XHSDSOJGSA-N 2 1 351.451 -1.110 20 0 FAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815997 793612228 /nfs/dbraw/zinc/61/22/28/793612228.db2.gz UKVXLZUFHCVIDU-XHSDSOJGSA-N 2 1 351.451 -1.110 20 0 FAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C1CCC1 ZINC001219815997 793612221 /nfs/dbraw/zinc/61/22/21/793612221.db2.gz UKVXLZUFHCVIDU-XHSDSOJGSA-N 2 1 351.451 -1.110 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837476 793616234 /nfs/dbraw/zinc/61/62/34/793616234.db2.gz JVHBIEOUHUDBPZ-JLJPHGGASA-N 2 1 355.483 -1.752 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837477 793616023 /nfs/dbraw/zinc/61/60/23/793616023.db2.gz JVHBIEOUHUDBPZ-KMFMINBZSA-N 2 1 355.483 -1.752 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837478 793616333 /nfs/dbraw/zinc/61/63/33/793616333.db2.gz JVHBIEOUHUDBPZ-QRTARXTBSA-N 2 1 355.483 -1.752 20 0 FAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837479 793616164 /nfs/dbraw/zinc/61/61/64/793616164.db2.gz JVHBIEOUHUDBPZ-UKPHBRMFSA-N 2 1 355.483 -1.752 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846901 793619055 /nfs/dbraw/zinc/61/90/55/793619055.db2.gz JCJMBXDOCVPMNT-PMPSAXMXSA-N 2 1 358.483 -1.113 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869862 793624677 /nfs/dbraw/zinc/62/46/77/793624677.db2.gz UKPRMJMGUJUZOE-UPJWGTAASA-N 2 1 355.439 -1.570 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869862 793624672 /nfs/dbraw/zinc/62/46/72/793624672.db2.gz UKPRMJMGUJUZOE-UPJWGTAASA-N 2 1 355.439 -1.570 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219874950 793624480 /nfs/dbraw/zinc/62/44/80/793624480.db2.gz KPEVSZPLFUIVRV-YJNKXOJESA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219874950 793624476 /nfs/dbraw/zinc/62/44/76/793624476.db2.gz KPEVSZPLFUIVRV-YJNKXOJESA-N 2 1 356.467 -1.529 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877532 793625767 /nfs/dbraw/zinc/62/57/67/793625767.db2.gz KHAWXQOZEJNZAN-KFWWJZLASA-N 2 1 359.467 -1.487 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877533 793625295 /nfs/dbraw/zinc/62/52/95/793625295.db2.gz KHAWXQOZEJNZAN-ZNMIVQPWSA-N 2 1 359.467 -1.487 20 0 FAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219877615 793625170 /nfs/dbraw/zinc/62/51/70/793625170.db2.gz NVVMQQDOAIVETH-CABCVRRESA-N 2 1 359.467 -1.485 20 0 FAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219877615 793625165 /nfs/dbraw/zinc/62/51/65/793625165.db2.gz NVVMQQDOAIVETH-CABCVRRESA-N 2 1 359.467 -1.485 20 0 FAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219902999 793632289 /nfs/dbraw/zinc/63/22/89/793632289.db2.gz PFKRBGHXMKTKGQ-OLZOCXBDSA-N 2 1 364.512 -1.231 20 0 FAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219903048 793632551 /nfs/dbraw/zinc/63/25/51/793632551.db2.gz RAZYDIGUEFKGSD-NEPJUHHUSA-N 2 1 355.439 -1.570 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001219903329 793632001 /nfs/dbraw/zinc/63/20/01/793632001.db2.gz YLFXXYBMMZDPNS-KFWWJZLASA-N 2 1 361.483 -1.098 20 0 FAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001219903332 793632405 /nfs/dbraw/zinc/63/24/05/793632405.db2.gz YLFXXYBMMZDPNS-ZNMIVQPWSA-N 2 1 361.483 -1.098 20 0 FAADMP Cc1[nH+]ccn1CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219934383 793639214 /nfs/dbraw/zinc/63/92/14/793639214.db2.gz CPAIGEWZHGVDST-UHFFFAOYSA-N 2 1 353.383 -3.385 20 0 FAADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219934744 793639414 /nfs/dbraw/zinc/63/94/14/793639414.db2.gz KPPITQCVCNPWFP-AAEUAGOBSA-N 2 1 350.423 -1.238 20 0 FAADMP COC(=O)C1(NC(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219999132 793650801 /nfs/dbraw/zinc/65/08/01/793650801.db2.gz KZGMHIJMDVVIED-CYBMUJFWSA-N 2 1 354.451 -1.149 20 0 FAADMP COC(=O)C1(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219999132 793650795 /nfs/dbraw/zinc/65/07/95/793650795.db2.gz KZGMHIJMDVVIED-CYBMUJFWSA-N 3 1 354.451 -1.149 20 0 FAADMP COC(=O)C1(NC(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219999133 793650726 /nfs/dbraw/zinc/65/07/26/793650726.db2.gz KZGMHIJMDVVIED-ZDUSSCGKSA-N 2 1 354.451 -1.149 20 0 FAADMP COC(=O)C1(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219999133 793650722 /nfs/dbraw/zinc/65/07/22/793650722.db2.gz KZGMHIJMDVVIED-ZDUSSCGKSA-N 3 1 354.451 -1.149 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034554 793654771 /nfs/dbraw/zinc/65/47/71/793654771.db2.gz UFELZOZOGXIYON-CLPSQLOGSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034554 793654767 /nfs/dbraw/zinc/65/47/67/793654767.db2.gz UFELZOZOGXIYON-CLPSQLOGSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034554 793654760 /nfs/dbraw/zinc/65/47/60/793654760.db2.gz UFELZOZOGXIYON-CLPSQLOGSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034554 793654752 /nfs/dbraw/zinc/65/47/52/793654752.db2.gz UFELZOZOGXIYON-CLPSQLOGSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034555 793654827 /nfs/dbraw/zinc/65/48/27/793654827.db2.gz UFELZOZOGXIYON-WCCAFZKYSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034555 793654819 /nfs/dbraw/zinc/65/48/19/793654819.db2.gz UFELZOZOGXIYON-WCCAFZKYSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034555 793654812 /nfs/dbraw/zinc/65/48/12/793654812.db2.gz UFELZOZOGXIYON-WCCAFZKYSA-N 2 1 355.435 -1.980 20 0 FAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034555 793654809 /nfs/dbraw/zinc/65/48/09/793654809.db2.gz UFELZOZOGXIYON-WCCAFZKYSA-N 2 1 355.435 -1.980 20 0 FAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103030 793667010 /nfs/dbraw/zinc/66/70/10/793667010.db2.gz CRCVSXUKAOKJME-QWRGUYRKSA-N 2 1 355.443 -2.098 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001220228981 793683090 /nfs/dbraw/zinc/68/30/90/793683090.db2.gz HPHVSMYRLVFUOZ-KFWWJZLASA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001220228982 793683147 /nfs/dbraw/zinc/68/31/47/793683147.db2.gz HPHVSMYRLVFUOZ-ZNMIVQPWSA-N 2 1 351.451 -1.253 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001220229132 793683215 /nfs/dbraw/zinc/68/32/15/793683215.db2.gz OOPXGPCYNLJXJF-OLZOCXBDSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001220229132 793683208 /nfs/dbraw/zinc/68/32/08/793683208.db2.gz OOPXGPCYNLJXJF-OLZOCXBDSA-N 2 1 352.435 -1.362 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220230336 793683036 /nfs/dbraw/zinc/68/30/36/793683036.db2.gz BKEDKHJLVOXUOZ-NEPJUHHUSA-N 2 1 353.423 -1.959 20 0 FAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220230336 793683030 /nfs/dbraw/zinc/68/30/30/793683030.db2.gz BKEDKHJLVOXUOZ-NEPJUHHUSA-N 2 1 353.423 -1.959 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230638 793683581 /nfs/dbraw/zinc/68/35/81/793683581.db2.gz LOVYZJIGKDRUGE-CABCVRRESA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230638 793683577 /nfs/dbraw/zinc/68/35/77/793683577.db2.gz LOVYZJIGKDRUGE-CABCVRRESA-N 2 1 356.467 -1.358 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230714 793682828 /nfs/dbraw/zinc/68/28/28/793682828.db2.gz PLHHBFDCKDRPNZ-KFWWJZLASA-N 2 1 359.467 -1.487 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230715 793683532 /nfs/dbraw/zinc/68/35/32/793683532.db2.gz PLHHBFDCKDRPNZ-ZNMIVQPWSA-N 2 1 359.467 -1.487 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236623 793683989 /nfs/dbraw/zinc/68/39/89/793683989.db2.gz ASGFJSWZPOBMNT-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236623 793683987 /nfs/dbraw/zinc/68/39/87/793683987.db2.gz ASGFJSWZPOBMNT-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220237309 793683938 /nfs/dbraw/zinc/68/39/38/793683938.db2.gz SQRFYTMDTFORIV-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220237309 793683934 /nfs/dbraw/zinc/68/39/34/793683934.db2.gz SQRFYTMDTFORIV-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220238351 793685303 /nfs/dbraw/zinc/68/53/03/793685303.db2.gz RUCJZMUYDBXKDN-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238441 793685139 /nfs/dbraw/zinc/68/51/39/793685139.db2.gz WNIJWAURZVNRHM-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238441 793685136 /nfs/dbraw/zinc/68/51/36/793685136.db2.gz WNIJWAURZVNRHM-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP C[N@H+]1CCC[C@@H]1CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220251990 793688995 /nfs/dbraw/zinc/68/89/95/793688995.db2.gz LBGAFBVZXXMZIS-LLVKDONJSA-N 2 1 356.427 -3.106 20 0 FAADMP C[N@H+]1CCC[C@H]1CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220251991 793688473 /nfs/dbraw/zinc/68/84/73/793688473.db2.gz LBGAFBVZXXMZIS-NSHDSACASA-N 2 1 356.427 -3.106 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269021 793689578 /nfs/dbraw/zinc/68/95/78/793689578.db2.gz NBGWXUINIKPMHK-OAGGEKHMSA-N 2 1 359.467 -1.487 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269024 793689518 /nfs/dbraw/zinc/68/95/18/793689518.db2.gz NBGWXUINIKPMHK-XHSDSOJGSA-N 2 1 359.467 -1.487 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269332 793690765 /nfs/dbraw/zinc/69/07/65/793690765.db2.gz VEOHZZAOSJHFKP-CVEARBPZSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001220273605 793690658 /nfs/dbraw/zinc/69/06/58/793690658.db2.gz PDSCBSQRXGBVSW-NEPJUHHUSA-N 2 1 355.439 -1.570 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001220273605 793690654 /nfs/dbraw/zinc/69/06/54/793690654.db2.gz PDSCBSQRXGBVSW-NEPJUHHUSA-N 2 1 355.439 -1.570 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275398 793690354 /nfs/dbraw/zinc/69/03/54/793690354.db2.gz XGFIKASBVBCKAT-OLZOCXBDSA-N 2 1 350.485 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275398 793690345 /nfs/dbraw/zinc/69/03/45/793690345.db2.gz XGFIKASBVBCKAT-OLZOCXBDSA-N 2 1 350.485 -1.571 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001220276430 793691548 /nfs/dbraw/zinc/69/15/48/793691548.db2.gz AHDGWKHMCCLMLF-UPJWGTAASA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001220276430 793691545 /nfs/dbraw/zinc/69/15/45/793691545.db2.gz AHDGWKHMCCLMLF-UPJWGTAASA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001220276433 793691708 /nfs/dbraw/zinc/69/17/08/793691708.db2.gz AHDGWKHMCCLMLF-XQQFMLRXSA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001220276433 793691703 /nfs/dbraw/zinc/69/17/03/793691703.db2.gz AHDGWKHMCCLMLF-XQQFMLRXSA-N 2 1 356.423 -2.391 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001220276441 793691811 /nfs/dbraw/zinc/69/18/11/793691811.db2.gz AQAYRRYXMRNRHL-MCIONIFRSA-N 2 1 362.496 -1.619 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001220276443 793691827 /nfs/dbraw/zinc/69/18/27/793691827.db2.gz AQAYRRYXMRNRHL-MJBXVCDLSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276522 793692008 /nfs/dbraw/zinc/69/20/08/793692008.db2.gz DBYGLMXJEQKFBI-OLZOCXBDSA-N 2 1 350.485 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276522 793692004 /nfs/dbraw/zinc/69/20/04/793692004.db2.gz DBYGLMXJEQKFBI-OLZOCXBDSA-N 2 1 350.485 -1.619 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@@H]1O ZINC001220277327 793691522 /nfs/dbraw/zinc/69/15/22/793691522.db2.gz WLIMGIWSQVNHNZ-BMFZPTHFSA-N 2 1 359.467 -1.344 20 0 FAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@@H]1O ZINC001220277329 793691399 /nfs/dbraw/zinc/69/13/99/793691399.db2.gz WLIMGIWSQVNHNZ-IMJJTQAJSA-N 2 1 359.467 -1.344 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297052 793692855 /nfs/dbraw/zinc/69/28/55/793692855.db2.gz JCJMBXDOCVPMNT-OWCLPIDISA-N 2 1 358.483 -1.113 20 0 FAADMP C[N@H+]1CCCN(CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001220306732 793693547 /nfs/dbraw/zinc/69/35/47/793693547.db2.gz NXYXIAGCUTVNPM-AWEZNQCLSA-N 2 1 357.499 -1.001 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351675 793698446 /nfs/dbraw/zinc/69/84/46/793698446.db2.gz DRAFZDAEUSYBAL-BMFZPTHFSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351675 793698442 /nfs/dbraw/zinc/69/84/42/793698442.db2.gz DRAFZDAEUSYBAL-BMFZPTHFSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351675 793698436 /nfs/dbraw/zinc/69/84/36/793698436.db2.gz DRAFZDAEUSYBAL-BMFZPTHFSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351675 793698430 /nfs/dbraw/zinc/69/84/30/793698430.db2.gz DRAFZDAEUSYBAL-BMFZPTHFSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351676 793698395 /nfs/dbraw/zinc/69/83/95/793698395.db2.gz DRAFZDAEUSYBAL-IMJJTQAJSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351676 793698389 /nfs/dbraw/zinc/69/83/89/793698389.db2.gz DRAFZDAEUSYBAL-IMJJTQAJSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351676 793698386 /nfs/dbraw/zinc/69/83/86/793698386.db2.gz DRAFZDAEUSYBAL-IMJJTQAJSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351676 793698381 /nfs/dbraw/zinc/69/83/81/793698381.db2.gz DRAFZDAEUSYBAL-IMJJTQAJSA-N 2 1 356.467 -1.215 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355134 793698913 /nfs/dbraw/zinc/69/89/13/793698913.db2.gz FEXLHLKDGPCJRE-BMFZPTHFSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355134 793698909 /nfs/dbraw/zinc/69/89/09/793698909.db2.gz FEXLHLKDGPCJRE-BMFZPTHFSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355134 793698904 /nfs/dbraw/zinc/69/89/04/793698904.db2.gz FEXLHLKDGPCJRE-BMFZPTHFSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355134 793698902 /nfs/dbraw/zinc/69/89/02/793698902.db2.gz FEXLHLKDGPCJRE-BMFZPTHFSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355135 793698885 /nfs/dbraw/zinc/69/88/85/793698885.db2.gz FEXLHLKDGPCJRE-IMJJTQAJSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355135 793698881 /nfs/dbraw/zinc/69/88/81/793698881.db2.gz FEXLHLKDGPCJRE-IMJJTQAJSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355135 793698880 /nfs/dbraw/zinc/69/88/80/793698880.db2.gz FEXLHLKDGPCJRE-IMJJTQAJSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355135 793698877 /nfs/dbraw/zinc/69/88/77/793698877.db2.gz FEXLHLKDGPCJRE-IMJJTQAJSA-N 2 1 356.467 -1.358 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220377705 793702527 /nfs/dbraw/zinc/70/25/27/793702527.db2.gz KPEVSZPLFUIVRV-XGUBFFRZSA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220377705 793702525 /nfs/dbraw/zinc/70/25/25/793702525.db2.gz KPEVSZPLFUIVRV-XGUBFFRZSA-N 2 1 356.467 -1.529 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220380215 793703025 /nfs/dbraw/zinc/70/30/25/793703025.db2.gz UKPRMJMGUJUZOE-AGIUHOORSA-N 2 1 355.439 -1.570 20 0 FAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220380215 793703020 /nfs/dbraw/zinc/70/30/20/793703020.db2.gz UKPRMJMGUJUZOE-AGIUHOORSA-N 2 1 355.439 -1.570 20 0 FAADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387476 793704003 /nfs/dbraw/zinc/70/40/03/793704003.db2.gz IZUXGOCEUKYCDA-OAGGEKHMSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387476 793703998 /nfs/dbraw/zinc/70/39/98/793703998.db2.gz IZUXGOCEUKYCDA-OAGGEKHMSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387477 793703907 /nfs/dbraw/zinc/70/39/07/793703907.db2.gz IZUXGOCEUKYCDA-XHSDSOJGSA-N 2 1 359.467 -1.343 20 0 FAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387477 793703901 /nfs/dbraw/zinc/70/39/01/793703901.db2.gz IZUXGOCEUKYCDA-XHSDSOJGSA-N 2 1 359.467 -1.343 20 0 FAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433720 793709326 /nfs/dbraw/zinc/70/93/26/793709326.db2.gz GVGBINJLSDDKQU-AWEZNQCLSA-N 2 1 356.448 -1.000 20 0 FAADMP CC(C)[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC001220454467 793713569 /nfs/dbraw/zinc/71/35/69/793713569.db2.gz WCYCQVHMXLBZSD-CABCVRRESA-N 2 1 355.483 -1.264 20 0 FAADMP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC001220454468 793713702 /nfs/dbraw/zinc/71/37/02/793713702.db2.gz WCYCQVHMXLBZSD-GJZGRUSLSA-N 2 1 355.483 -1.264 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517059 793724885 /nfs/dbraw/zinc/72/48/85/793724885.db2.gz UEWDFPWCNWOKBA-KFWWJZLASA-N 2 1 355.439 -1.773 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517060 793725218 /nfs/dbraw/zinc/72/52/18/793725218.db2.gz UEWDFPWCNWOKBA-ZNMIVQPWSA-N 2 1 355.439 -1.773 20 0 FAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001220517180 793724956 /nfs/dbraw/zinc/72/49/56/793724956.db2.gz ZTGMMRLULVBFRH-CABCVRRESA-N 2 1 355.439 -1.772 20 0 FAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001220517180 793724952 /nfs/dbraw/zinc/72/49/52/793724952.db2.gz ZTGMMRLULVBFRH-CABCVRRESA-N 2 1 355.439 -1.772 20 0 FAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547805 793733370 /nfs/dbraw/zinc/73/33/70/793733370.db2.gz ICBMOTMQEHYERJ-OAGGEKHMSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547805 793733369 /nfs/dbraw/zinc/73/33/69/793733369.db2.gz ICBMOTMQEHYERJ-OAGGEKHMSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547806 793733735 /nfs/dbraw/zinc/73/37/35/793733735.db2.gz ICBMOTMQEHYERJ-XHSDSOJGSA-N 2 1 359.467 -1.343 20 0 FAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547806 793733729 /nfs/dbraw/zinc/73/37/29/793733729.db2.gz ICBMOTMQEHYERJ-XHSDSOJGSA-N 2 1 359.467 -1.343 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220582941 793741586 /nfs/dbraw/zinc/74/15/86/793741586.db2.gz LWYDVVYPRBGMRY-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220582941 793741582 /nfs/dbraw/zinc/74/15/82/793741582.db2.gz LWYDVVYPRBGMRY-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220584995 793742084 /nfs/dbraw/zinc/74/20/84/793742084.db2.gz SIDSKIZBLNMCFV-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220584995 793742078 /nfs/dbraw/zinc/74/20/78/793742078.db2.gz SIDSKIZBLNMCFV-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220637591 793749022 /nfs/dbraw/zinc/74/90/22/793749022.db2.gz IHGQTLAGSZYHMH-CABCVRRESA-N 2 1 352.439 -1.450 20 0 FAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220637591 793749015 /nfs/dbraw/zinc/74/90/15/793749015.db2.gz IHGQTLAGSZYHMH-CABCVRRESA-N 2 1 352.439 -1.450 20 0 FAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642892 793749980 /nfs/dbraw/zinc/74/99/80/793749980.db2.gz NABNCUMNZKQADQ-CVEARBPZSA-N 2 1 359.467 -1.079 20 0 FAADMP COCCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642892 793749977 /nfs/dbraw/zinc/74/99/77/793749977.db2.gz NABNCUMNZKQADQ-CVEARBPZSA-N 2 1 359.467 -1.079 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688420 793759641 /nfs/dbraw/zinc/75/96/41/793759641.db2.gz FXEMICYTKVUITP-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688420 793759635 /nfs/dbraw/zinc/75/96/35/793759635.db2.gz FXEMICYTKVUITP-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688420 793759633 /nfs/dbraw/zinc/75/96/33/793759633.db2.gz FXEMICYTKVUITP-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688420 793759627 /nfs/dbraw/zinc/75/96/27/793759627.db2.gz FXEMICYTKVUITP-KGLIPLIRSA-N 2 1 364.512 -1.181 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688470 793759112 /nfs/dbraw/zinc/75/91/12/793759112.db2.gz HVPJRSGUXMLSEM-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688470 793759103 /nfs/dbraw/zinc/75/91/03/793759103.db2.gz HVPJRSGUXMLSEM-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688470 793759096 /nfs/dbraw/zinc/75/90/96/793759096.db2.gz HVPJRSGUXMLSEM-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220688730 793759605 /nfs/dbraw/zinc/75/96/05/793759605.db2.gz OVADRDDUKGOKFY-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220688730 793759600 /nfs/dbraw/zinc/75/96/00/793759600.db2.gz OVADRDDUKGOKFY-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220688730 793759595 /nfs/dbraw/zinc/75/95/95/793759595.db2.gz OVADRDDUKGOKFY-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220688730 793759591 /nfs/dbraw/zinc/75/95/91/793759591.db2.gz OVADRDDUKGOKFY-KGLIPLIRSA-N 2 1 364.512 -1.229 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220689000 793759263 /nfs/dbraw/zinc/75/92/63/793759263.db2.gz ZRGURJMBMDRFQZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220689000 793759253 /nfs/dbraw/zinc/75/92/53/793759253.db2.gz ZRGURJMBMDRFQZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220689000 793759250 /nfs/dbraw/zinc/75/92/50/793759250.db2.gz ZRGURJMBMDRFQZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220689000 793759240 /nfs/dbraw/zinc/75/92/40/793759240.db2.gz ZRGURJMBMDRFQZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755315 793772317 /nfs/dbraw/zinc/77/23/17/793772317.db2.gz LAQQVJJTTXGPSY-OAGGEKHMSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755315 793772312 /nfs/dbraw/zinc/77/23/12/793772312.db2.gz LAQQVJJTTXGPSY-OAGGEKHMSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755315 793772306 /nfs/dbraw/zinc/77/23/06/793772306.db2.gz LAQQVJJTTXGPSY-OAGGEKHMSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755316 793772211 /nfs/dbraw/zinc/77/22/11/793772211.db2.gz LAQQVJJTTXGPSY-XHSDSOJGSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755316 793772202 /nfs/dbraw/zinc/77/22/02/793772202.db2.gz LAQQVJJTTXGPSY-XHSDSOJGSA-N 2 1 356.467 -1.358 20 0 FAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755316 793772192 /nfs/dbraw/zinc/77/21/92/793772192.db2.gz LAQQVJJTTXGPSY-XHSDSOJGSA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220764268 793774956 /nfs/dbraw/zinc/77/49/56/793774956.db2.gz FGXSDFMADVXBOO-OAGGEKHMSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220764268 793774950 /nfs/dbraw/zinc/77/49/50/793774950.db2.gz FGXSDFMADVXBOO-OAGGEKHMSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220764269 793774886 /nfs/dbraw/zinc/77/48/86/793774886.db2.gz FGXSDFMADVXBOO-XHSDSOJGSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220764269 793774881 /nfs/dbraw/zinc/77/48/81/793774881.db2.gz FGXSDFMADVXBOO-XHSDSOJGSA-N 2 1 359.467 -1.079 20 0 FAADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764345 793774747 /nfs/dbraw/zinc/77/47/47/793774747.db2.gz IJSUCFINCYLOJZ-OAGGEKHMSA-N 2 1 361.483 -1.241 20 0 FAADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764346 793775514 /nfs/dbraw/zinc/77/55/14/793775514.db2.gz IJSUCFINCYLOJZ-XHSDSOJGSA-N 2 1 361.483 -1.241 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220764371 793775135 /nfs/dbraw/zinc/77/51/35/793775135.db2.gz IYLPEPJYXGNQSB-OAGGEKHMSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220764372 793775061 /nfs/dbraw/zinc/77/50/61/793775061.db2.gz IYLPEPJYXGNQSB-XHSDSOJGSA-N 2 1 359.467 -1.079 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220764538 793775187 /nfs/dbraw/zinc/77/51/87/793775187.db2.gz ODJNMJPUPUBTBI-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220764690 793775480 /nfs/dbraw/zinc/77/54/80/793775480.db2.gz SNTRSZBPYVJXHM-KFWWJZLASA-N 2 1 355.439 -2.017 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220764691 793775276 /nfs/dbraw/zinc/77/52/76/793775276.db2.gz SNTRSZBPYVJXHM-ZNMIVQPWSA-N 2 1 355.439 -2.017 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220764824 793774686 /nfs/dbraw/zinc/77/46/86/793774686.db2.gz YBKDVAGETPRCRP-OLZOCXBDSA-N 2 1 356.423 -2.125 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220764824 793774677 /nfs/dbraw/zinc/77/46/77/793774677.db2.gz YBKDVAGETPRCRP-OLZOCXBDSA-N 2 1 356.423 -2.125 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220764852 793775227 /nfs/dbraw/zinc/77/52/27/793775227.db2.gz ZQLGXMGPBRDAAS-NEPJUHHUSA-N 2 1 357.411 -2.722 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220764852 793775224 /nfs/dbraw/zinc/77/52/24/793775224.db2.gz ZQLGXMGPBRDAAS-NEPJUHHUSA-N 2 1 357.411 -2.722 20 0 FAADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220767177 793775249 /nfs/dbraw/zinc/77/52/49/793775249.db2.gz RHINLSZUOCGEPP-CABCVRRESA-N 2 1 352.435 -1.375 20 0 FAADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768343 793774725 /nfs/dbraw/zinc/77/47/25/793774725.db2.gz HWLJDOPZMSKMRT-CABCVRRESA-N 2 1 354.455 -1.366 20 0 FAADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768343 793774717 /nfs/dbraw/zinc/77/47/17/793774717.db2.gz HWLJDOPZMSKMRT-CABCVRRESA-N 2 1 354.455 -1.366 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768400 793775502 /nfs/dbraw/zinc/77/55/02/793775502.db2.gz JYIUACMAWHHSRB-CABCVRRESA-N 2 1 360.455 -2.121 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768400 793775497 /nfs/dbraw/zinc/77/54/97/793775497.db2.gz JYIUACMAWHHSRB-CABCVRRESA-N 2 1 360.455 -2.121 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220768482 793775929 /nfs/dbraw/zinc/77/59/29/793775929.db2.gz OBOVNWLHOGENFW-MCIONIFRSA-N 2 1 352.439 -1.495 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220768483 793776135 /nfs/dbraw/zinc/77/61/35/793776135.db2.gz OBOVNWLHOGENFW-MJBXVCDLSA-N 2 1 352.439 -1.495 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768584 793776202 /nfs/dbraw/zinc/77/62/02/793776202.db2.gz SJTUSQGIPYNDRR-KFWWJZLASA-N 2 1 363.455 -2.250 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768585 793775889 /nfs/dbraw/zinc/77/58/89/793775889.db2.gz SJTUSQGIPYNDRR-ZNMIVQPWSA-N 2 1 363.455 -2.250 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220768705 793775773 /nfs/dbraw/zinc/77/57/73/793775773.db2.gz ZECVEDRXINGXSQ-KFWWJZLASA-N 2 1 356.467 -1.358 20 0 FAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220768706 793776293 /nfs/dbraw/zinc/77/62/93/793776293.db2.gz ZECVEDRXINGXSQ-ZNMIVQPWSA-N 2 1 356.467 -1.358 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771250 793776062 /nfs/dbraw/zinc/77/60/62/793776062.db2.gz KLDTYGZHFSFIAI-KFWWJZLASA-N 2 1 357.451 -1.733 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771251 793775840 /nfs/dbraw/zinc/77/58/40/793775840.db2.gz KLDTYGZHFSFIAI-ZNMIVQPWSA-N 2 1 357.451 -1.733 20 0 FAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771403 793776100 /nfs/dbraw/zinc/77/61/00/793776100.db2.gz RNIFRBDKGSCOAM-CABCVRRESA-N 2 1 354.451 -1.604 20 0 FAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771403 793776092 /nfs/dbraw/zinc/77/60/92/793776092.db2.gz RNIFRBDKGSCOAM-CABCVRRESA-N 2 1 354.451 -1.604 20 0 FAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220799332 793778690 /nfs/dbraw/zinc/77/86/90/793778690.db2.gz XJSXWCDJIGGPBO-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220799332 793778684 /nfs/dbraw/zinc/77/86/84/793778684.db2.gz XJSXWCDJIGGPBO-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220809258 793779874 /nfs/dbraw/zinc/77/98/74/793779874.db2.gz PSWNQDSBPZVLSV-OAGGEKHMSA-N 2 1 361.483 -1.097 20 0 FAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220809259 793780189 /nfs/dbraw/zinc/78/01/89/793780189.db2.gz PSWNQDSBPZVLSV-XHSDSOJGSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220825739 793780885 /nfs/dbraw/zinc/78/08/85/793780885.db2.gz DUTZBOFSZRUTOK-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220825739 793780880 /nfs/dbraw/zinc/78/08/80/793780880.db2.gz DUTZBOFSZRUTOK-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220825739 793780873 /nfs/dbraw/zinc/78/08/73/793780873.db2.gz DUTZBOFSZRUTOK-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220825739 793780865 /nfs/dbraw/zinc/78/08/65/793780865.db2.gz DUTZBOFSZRUTOK-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220825911 793781800 /nfs/dbraw/zinc/78/18/00/793781800.db2.gz JHNWSJVEXYDCFH-OAGGEKHMSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220825911 793781795 /nfs/dbraw/zinc/78/17/95/793781795.db2.gz JHNWSJVEXYDCFH-OAGGEKHMSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220825911 793781792 /nfs/dbraw/zinc/78/17/92/793781792.db2.gz JHNWSJVEXYDCFH-OAGGEKHMSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220825912 793782588 /nfs/dbraw/zinc/78/25/88/793782588.db2.gz JHNWSJVEXYDCFH-XHSDSOJGSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220825912 793782577 /nfs/dbraw/zinc/78/25/77/793782577.db2.gz JHNWSJVEXYDCFH-XHSDSOJGSA-N 2 1 361.483 -1.097 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220825912 793782575 /nfs/dbraw/zinc/78/25/75/793782575.db2.gz JHNWSJVEXYDCFH-XHSDSOJGSA-N 2 1 361.483 -1.097 20 0 FAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220827214 793781830 /nfs/dbraw/zinc/78/18/30/793781830.db2.gz KAYBHFMTJSBQKI-AWEZNQCLSA-N 2 1 352.435 -1.024 20 0 FAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220827214 793781826 /nfs/dbraw/zinc/78/18/26/793781826.db2.gz KAYBHFMTJSBQKI-AWEZNQCLSA-N 3 1 352.435 -1.024 20 0 FAADMP CCOC(=O)C1=C(NC(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220827215 793782410 /nfs/dbraw/zinc/78/24/10/793782410.db2.gz KAYBHFMTJSBQKI-CQSZACIVSA-N 2 1 352.435 -1.024 20 0 FAADMP CCOC(=O)C1=C(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220827215 793782401 /nfs/dbraw/zinc/78/24/01/793782401.db2.gz KAYBHFMTJSBQKI-CQSZACIVSA-N 3 1 352.435 -1.024 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220829631 793782501 /nfs/dbraw/zinc/78/25/01/793782501.db2.gz XTQBLVDMYSLOIZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220829631 793782497 /nfs/dbraw/zinc/78/24/97/793782497.db2.gz XTQBLVDMYSLOIZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220829631 793782489 /nfs/dbraw/zinc/78/24/89/793782489.db2.gz XTQBLVDMYSLOIZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220829631 793782481 /nfs/dbraw/zinc/78/24/81/793782481.db2.gz XTQBLVDMYSLOIZ-ZNMIVQPWSA-N 2 1 356.467 -1.527 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220831348 793782147 /nfs/dbraw/zinc/78/21/47/793782147.db2.gz WEDGIJKLMNKFOY-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220831348 793782143 /nfs/dbraw/zinc/78/21/43/793782143.db2.gz WEDGIJKLMNKFOY-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220831348 793782133 /nfs/dbraw/zinc/78/21/33/793782133.db2.gz WEDGIJKLMNKFOY-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220831348 793782129 /nfs/dbraw/zinc/78/21/29/793782129.db2.gz WEDGIJKLMNKFOY-OLZOCXBDSA-N 2 1 355.439 -1.569 20 0 FAADMP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]C1 ZINC001220850945 793783570 /nfs/dbraw/zinc/78/35/70/793783570.db2.gz BGOFJSHCXPUBBU-LLVKDONJSA-N 2 1 359.448 -1.578 20 0 FAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]C1 ZINC001220850946 793783242 /nfs/dbraw/zinc/78/32/42/793783242.db2.gz BGOFJSHCXPUBBU-NSHDSACASA-N 2 1 359.448 -1.578 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220872580 793787426 /nfs/dbraw/zinc/78/74/26/793787426.db2.gz ZQNHWMXFTGWWOF-GFCCVEGCSA-N 2 1 358.464 -2.051 20 0 FAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220872581 793787312 /nfs/dbraw/zinc/78/73/12/793787312.db2.gz ZQNHWMXFTGWWOF-LBPRGKRZSA-N 2 1 358.464 -2.051 20 0 FAADMP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875143 793788010 /nfs/dbraw/zinc/78/80/10/793788010.db2.gz USUSCUYNPAESEW-JTQLQIEISA-N 2 1 367.372 -1.290 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914828 793794161 /nfs/dbraw/zinc/79/41/61/793794161.db2.gz BSCHCYODTIYLJA-AWEZNQCLSA-N 2 1 355.464 -1.008 20 0 FAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914828 793794151 /nfs/dbraw/zinc/79/41/51/793794151.db2.gz BSCHCYODTIYLJA-AWEZNQCLSA-N 2 1 355.464 -1.008 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975906 793808092 /nfs/dbraw/zinc/80/80/92/793808092.db2.gz AFZTVRGXYCNLOZ-MCIONIFRSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975906 793808080 /nfs/dbraw/zinc/80/80/80/793808080.db2.gz AFZTVRGXYCNLOZ-MCIONIFRSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975906 793808074 /nfs/dbraw/zinc/80/80/74/793808074.db2.gz AFZTVRGXYCNLOZ-MCIONIFRSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975906 793808064 /nfs/dbraw/zinc/80/80/64/793808064.db2.gz AFZTVRGXYCNLOZ-MCIONIFRSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975907 793808665 /nfs/dbraw/zinc/80/86/65/793808665.db2.gz AFZTVRGXYCNLOZ-MJBXVCDLSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975907 793808659 /nfs/dbraw/zinc/80/86/59/793808659.db2.gz AFZTVRGXYCNLOZ-MJBXVCDLSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975907 793808650 /nfs/dbraw/zinc/80/86/50/793808650.db2.gz AFZTVRGXYCNLOZ-MJBXVCDLSA-N 2 1 362.496 -1.571 20 0 FAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975907 793808645 /nfs/dbraw/zinc/80/86/45/793808645.db2.gz AFZTVRGXYCNLOZ-MJBXVCDLSA-N 2 1 362.496 -1.571 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976148 793807890 /nfs/dbraw/zinc/80/78/90/793807890.db2.gz LPVDDLVBZOBUTL-MCIONIFRSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976148 793807879 /nfs/dbraw/zinc/80/78/79/793807879.db2.gz LPVDDLVBZOBUTL-MCIONIFRSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976148 793807869 /nfs/dbraw/zinc/80/78/69/793807869.db2.gz LPVDDLVBZOBUTL-MCIONIFRSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976148 793807858 /nfs/dbraw/zinc/80/78/58/793807858.db2.gz LPVDDLVBZOBUTL-MCIONIFRSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976149 793808472 /nfs/dbraw/zinc/80/84/72/793808472.db2.gz LPVDDLVBZOBUTL-MJBXVCDLSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976149 793808461 /nfs/dbraw/zinc/80/84/61/793808461.db2.gz LPVDDLVBZOBUTL-MJBXVCDLSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976149 793808450 /nfs/dbraw/zinc/80/84/50/793808450.db2.gz LPVDDLVBZOBUTL-MJBXVCDLSA-N 2 1 362.496 -1.619 20 0 FAADMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976149 793808439 /nfs/dbraw/zinc/80/84/39/793808439.db2.gz LPVDDLVBZOBUTL-MJBXVCDLSA-N 2 1 362.496 -1.619 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091728 793835574 /nfs/dbraw/zinc/83/55/74/793835574.db2.gz VTRXXHLCNKPWLF-OLZOCXBDSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091728 793835563 /nfs/dbraw/zinc/83/55/63/793835563.db2.gz VTRXXHLCNKPWLF-OLZOCXBDSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091728 793835558 /nfs/dbraw/zinc/83/55/58/793835558.db2.gz VTRXXHLCNKPWLF-OLZOCXBDSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091728 793835549 /nfs/dbraw/zinc/83/55/49/793835549.db2.gz VTRXXHLCNKPWLF-OLZOCXBDSA-N 2 1 355.439 -1.570 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001221093068 793835051 /nfs/dbraw/zinc/83/50/51/793835051.db2.gz BILPFWLJNBKYHO-ZNMIVQPWSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001221093068 793835039 /nfs/dbraw/zinc/83/50/39/793835039.db2.gz BILPFWLJNBKYHO-ZNMIVQPWSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001221093068 793835025 /nfs/dbraw/zinc/83/50/25/793835025.db2.gz BILPFWLJNBKYHO-ZNMIVQPWSA-N 2 1 356.467 -1.529 20 0 FAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001221093068 793835015 /nfs/dbraw/zinc/83/50/15/793835015.db2.gz BILPFWLJNBKYHO-ZNMIVQPWSA-N 2 1 356.467 -1.529 20 0 FAADMP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1COCC[NH2+]1 ZINC001221148646 793841239 /nfs/dbraw/zinc/84/12/39/793841239.db2.gz JRJQQHOFYFHVLG-AWEZNQCLSA-N 2 1 354.432 -1.079 20 0 FAADMP [NH3+]CCCNCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148677 793841204 /nfs/dbraw/zinc/84/12/04/793841204.db2.gz KYSKSPJKPVBSFT-UHFFFAOYSA-N 2 1 355.464 -1.129 20 0 FAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221149151 793840718 /nfs/dbraw/zinc/84/07/18/793840718.db2.gz XVYDDQQRRZSMTH-AWEZNQCLSA-N 2 1 355.464 -1.001 20 0 FAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221149153 793840477 /nfs/dbraw/zinc/84/04/77/793840477.db2.gz XVYDDQQRRZSMTH-CQSZACIVSA-N 2 1 355.464 -1.001 20 0 FAADMP C[N@H+]1CCC[C@](C)(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001221240959 793854881 /nfs/dbraw/zinc/85/48/81/793854881.db2.gz IPJLXXKOSOGOLD-HNNXBMFYSA-N 2 1 356.427 -3.106 20 0 FAADMP C[N@H+]1CCC[C@@](C)(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001221240960 793853661 /nfs/dbraw/zinc/85/36/61/793853661.db2.gz IPJLXXKOSOGOLD-OAHLLOKOSA-N 2 1 356.427 -3.106 20 0 FAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H]2NCN[C@@H]21 ZINC001221265984 793855123 /nfs/dbraw/zinc/85/51/23/793855123.db2.gz RKVBNCDEONXIDW-IRCOFANPSA-N 2 1 358.468 -3.080 20 0 FAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H]2NCN[C@H]21 ZINC001221265990 793855734 /nfs/dbraw/zinc/85/57/34/793855734.db2.gz RKVBNCDEONXIDW-NNYUYHANSA-N 2 1 358.468 -3.080 20 0 FAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@@H]2NCN[C@@H]21 ZINC001221265992 793855232 /nfs/dbraw/zinc/85/52/32/793855232.db2.gz RKVBNCDEONXIDW-QCNOEVLYSA-N 2 1 358.468 -3.080 20 0 FAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@@H]2NCN[C@H]21 ZINC001221265993 793855751 /nfs/dbraw/zinc/85/57/51/793855751.db2.gz RKVBNCDEONXIDW-YFKTTZPYSA-N 2 1 358.468 -3.080 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221947078 793886332 /nfs/dbraw/zinc/88/63/32/793886332.db2.gz QQHHYERAJJKHEL-HZSPNIEDSA-N 2 1 352.435 -1.098 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221947078 793886327 /nfs/dbraw/zinc/88/63/27/793886327.db2.gz QQHHYERAJJKHEL-HZSPNIEDSA-N 2 1 352.435 -1.098 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221947079 793886479 /nfs/dbraw/zinc/88/64/79/793886479.db2.gz QQHHYERAJJKHEL-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221947079 793886471 /nfs/dbraw/zinc/88/64/71/793886471.db2.gz QQHHYERAJJKHEL-MGPQQGTHSA-N 2 1 352.435 -1.098 20 0 FAADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)[C@@H](O)[C@@H]2O1 ZINC001222521313 793895085 /nfs/dbraw/zinc/89/50/85/793895085.db2.gz PVNHSIPQWMTYLL-NLLNSEBYSA-N 2 1 353.419 -1.365 20 0 FAADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)[C@@H](O)[C@@H]2O1 ZINC001222521313 793895075 /nfs/dbraw/zinc/89/50/75/793895075.db2.gz PVNHSIPQWMTYLL-NLLNSEBYSA-N 2 1 353.419 -1.365 20 0 FAADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)[C@@H](O)[C@@H]2O1 ZINC001222521314 793895132 /nfs/dbraw/zinc/89/51/32/793895132.db2.gz PVNHSIPQWMTYLL-VHYOUYBNSA-N 2 1 353.419 -1.365 20 0 FAADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)[C@@H](O)[C@@H]2O1 ZINC001222521314 793895122 /nfs/dbraw/zinc/89/51/22/793895122.db2.gz PVNHSIPQWMTYLL-VHYOUYBNSA-N 2 1 353.419 -1.365 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223916714 793904026 /nfs/dbraw/zinc/90/40/26/793904026.db2.gz NAWXCJSIKRHJAY-OLZOCXBDSA-N 2 1 355.439 -1.318 20 0 FAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001223916714 793904025 /nfs/dbraw/zinc/90/40/25/793904025.db2.gz NAWXCJSIKRHJAY-OLZOCXBDSA-N 2 1 355.439 -1.318 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524976 793908778 /nfs/dbraw/zinc/90/87/78/793908778.db2.gz KNHHTYRSZHINRW-JHJVBQTASA-N 2 1 355.439 -1.210 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524976 793908772 /nfs/dbraw/zinc/90/87/72/793908772.db2.gz KNHHTYRSZHINRW-JHJVBQTASA-N 2 1 355.439 -1.210 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525029 793908478 /nfs/dbraw/zinc/90/84/78/793908478.db2.gz KNHHTYRSZHINRW-UPJWGTAASA-N 2 1 355.439 -1.210 20 0 FAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525029 793908468 /nfs/dbraw/zinc/90/84/68/793908468.db2.gz KNHHTYRSZHINRW-UPJWGTAASA-N 2 1 355.439 -1.210 20 0 FAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001225525219 793908555 /nfs/dbraw/zinc/90/85/55/793908555.db2.gz NMLLPVGMSWWCAW-MCIONIFRSA-N 2 1 362.496 -1.117 20 0 FAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001225525219 793908550 /nfs/dbraw/zinc/90/85/50/793908550.db2.gz NMLLPVGMSWWCAW-MCIONIFRSA-N 2 1 362.496 -1.117 20 0 FAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001225525221 793908326 /nfs/dbraw/zinc/90/83/26/793908326.db2.gz NMLLPVGMSWWCAW-MGPQQGTHSA-N 2 1 362.496 -1.117 20 0 FAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001225525221 793908323 /nfs/dbraw/zinc/90/83/23/793908323.db2.gz NMLLPVGMSWWCAW-MGPQQGTHSA-N 2 1 362.496 -1.117 20 0 FAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)O1 ZINC001227028763 793915189 /nfs/dbraw/zinc/91/51/89/793915189.db2.gz LXHHNOOZLVCZDY-FDYHWXHSSA-N 2 1 355.439 -1.083 20 0 FAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)O1 ZINC001227028763 793915180 /nfs/dbraw/zinc/91/51/80/793915180.db2.gz LXHHNOOZLVCZDY-FDYHWXHSSA-N 2 1 355.439 -1.083 20 0 FAADMP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142381 793925061 /nfs/dbraw/zinc/92/50/61/793925061.db2.gz SEWMFDVLPZPSSB-CHWSQXEVSA-N 2 1 355.439 -1.079 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230215467 793929242 /nfs/dbraw/zinc/92/92/42/793929242.db2.gz OZBGHYDRUMZBKO-JHJVBQTASA-N 2 1 355.439 -1.081 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230215467 793929231 /nfs/dbraw/zinc/92/92/31/793929231.db2.gz OZBGHYDRUMZBKO-JHJVBQTASA-N 2 1 355.439 -1.081 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230215468 793929289 /nfs/dbraw/zinc/92/92/89/793929289.db2.gz OZBGHYDRUMZBKO-UPJWGTAASA-N 2 1 355.439 -1.081 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230215468 793929283 /nfs/dbraw/zinc/92/92/83/793929283.db2.gz OZBGHYDRUMZBKO-UPJWGTAASA-N 2 1 355.439 -1.081 20 0 FAADMP CS(=O)(=O)N1CCC(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236308856 793952249 /nfs/dbraw/zinc/95/22/49/793952249.db2.gz ICDCJGQCFSTCCG-UHFFFAOYSA-N 3 1 363.528 -1.226 20 0 FAADMP CS(=O)(=O)N1CCC(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236308856 793952236 /nfs/dbraw/zinc/95/22/36/793952236.db2.gz ICDCJGQCFSTCCG-UHFFFAOYSA-N 3 1 363.528 -1.226 20 0 FAADMP O=S(=O)(CC1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001238122202 793956458 /nfs/dbraw/zinc/95/64/58/793956458.db2.gz GJLBFXDIQOCDCJ-UHFFFAOYSA-N 2 1 354.498 -1.860 20 0 FAADMP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(S(=O)(=O)CC[NH3+])C2)CC1 ZINC001239081253 793960898 /nfs/dbraw/zinc/96/08/98/793960898.db2.gz JHBWTBQOLLSHNM-AWEZNQCLSA-N 2 1 356.496 -1.149 20 0 FAADMP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(S(=O)(=O)CC[NH3+])C2)CC1 ZINC001239081255 793961932 /nfs/dbraw/zinc/96/19/32/793961932.db2.gz JHBWTBQOLLSHNM-CQSZACIVSA-N 2 1 356.496 -1.149 20 0 FAADMP C[NH+]1CCN(c2ncnc3c2CCN(S(=O)(=O)CC[NH3+])CC3)CC1 ZINC001239083481 793962036 /nfs/dbraw/zinc/96/20/36/793962036.db2.gz UCCBDIYVPOZDKO-UHFFFAOYSA-N 2 1 354.480 -1.083 20 0 FAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCCC[NH+]1CCOCC1 ZINC001239452120 793962165 /nfs/dbraw/zinc/96/21/65/793962165.db2.gz NFSNMSDKIHZSQU-UHFFFAOYSA-N 3 1 374.555 -1.301 20 0 FAADMP O=c1cc(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001245981430 793965211 /nfs/dbraw/zinc/96/52/11/793965211.db2.gz GXEULPVQOJDWMP-AWEZNQCLSA-N 3 1 351.451 -1.308 20 0 FAADMP O=c1cc(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001245981433 793965031 /nfs/dbraw/zinc/96/50/31/793965031.db2.gz GXEULPVQOJDWMP-CQSZACIVSA-N 3 1 351.451 -1.308 20 0 FAADMP O=S(=O)(CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001245989459 793965499 /nfs/dbraw/zinc/96/54/99/793965499.db2.gz GTCWNQLYDRAUIN-CYBMUJFWSA-N 3 1 350.485 -2.324 20 0 FAADMP O=S(=O)(CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001245989477 793965415 /nfs/dbraw/zinc/96/54/15/793965415.db2.gz GTCWNQLYDRAUIN-ZDUSSCGKSA-N 3 1 350.485 -2.324 20 0 FAADMP O=C(C1CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1)N1CCNCC1 ZINC001246030978 793965942 /nfs/dbraw/zinc/96/59/42/793965942.db2.gz BSWYQFHWLRPKBC-INIZCTEOSA-N 2 1 354.495 -1.004 20 0 FAADMP O=C(C1CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1)N1CCNCC1 ZINC001246031480 793965862 /nfs/dbraw/zinc/96/58/62/793965862.db2.gz BSWYQFHWLRPKBC-MRXNPFEDSA-N 2 1 354.495 -1.004 20 0 FAADMP [NH3+][C@H]1[C@H](n2ccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2=O)O[C@H](CO)[C@H]1O ZINC001246313126 793968133 /nfs/dbraw/zinc/96/81/33/793968133.db2.gz BSOSBKFCPNPKOT-RNCJCCDMSA-N 2 1 351.407 -1.650 20 0 FAADMP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246735765 793969397 /nfs/dbraw/zinc/96/93/97/793969397.db2.gz LCIOXTRPLFOPJE-CYBMUJFWSA-N 2 1 368.507 -1.116 20 0 FAADMP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246735774 793969880 /nfs/dbraw/zinc/96/98/80/793969880.db2.gz LCIOXTRPLFOPJE-ZDUSSCGKSA-N 2 1 368.507 -1.116 20 0 FAADMP CCN1C[C@@]23C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246749435 793969939 /nfs/dbraw/zinc/96/99/39/793969939.db2.gz BTMSCCUXZPVNFA-FQLMCAECSA-N 2 1 356.492 -1.042 20 0 FAADMP CCN1C[C@@]23C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246749437 793969842 /nfs/dbraw/zinc/96/98/42/793969842.db2.gz BTMSCCUXZPVNFA-NYTXWWLZSA-N 2 1 356.492 -1.042 20 0 FAADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001253211287 793988534 /nfs/dbraw/zinc/98/85/34/793988534.db2.gz VSONFKNNTOWMAE-CYBMUJFWSA-N 2 1 355.439 -1.334 20 0 FAADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001253211288 793988359 /nfs/dbraw/zinc/98/83/59/793988359.db2.gz VSONFKNNTOWMAE-ZDUSSCGKSA-N 2 1 355.439 -1.334 20 0 FAADMP Cc1cn(CC(=O)NCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c(=O)[nH]c1=O ZINC001253408141 793989403 /nfs/dbraw/zinc/98/94/03/793989403.db2.gz UYQDDFRWZRLGEC-LBPRGKRZSA-N 2 1 355.439 -1.288 20 0 FAADMP C[N@H+]1CCC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001254509351 793998520 /nfs/dbraw/zinc/99/85/20/793998520.db2.gz ZTEMAUXIZHLRHJ-OKNSCYNVSA-N 2 1 353.423 -1.448 20 0 FAADMP C[N@@H+]1CCC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001254509351 793998517 /nfs/dbraw/zinc/99/85/17/793998517.db2.gz ZTEMAUXIZHLRHJ-OKNSCYNVSA-N 2 1 353.423 -1.448 20 0 FAADMP C[N@H+]1CCC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001254509352 793998468 /nfs/dbraw/zinc/99/84/68/793998468.db2.gz ZTEMAUXIZHLRHJ-PWRGDLIESA-N 2 1 353.423 -1.448 20 0 FAADMP C[N@@H+]1CCC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001254509352 793998451 /nfs/dbraw/zinc/99/84/51/793998451.db2.gz ZTEMAUXIZHLRHJ-PWRGDLIESA-N 2 1 353.423 -1.448 20 0 FAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261488284 794043843 /nfs/dbraw/zinc/04/38/43/794043843.db2.gz NJMQNEVHQVORIQ-KKUMJFAQSA-N 2 1 355.483 -1.249 20 0 FAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261488285 794043673 /nfs/dbraw/zinc/04/36/73/794043673.db2.gz NJMQNEVHQVORIQ-RRFJBIMHSA-N 2 1 355.483 -1.249 20 0 FAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261488286 794043815 /nfs/dbraw/zinc/04/38/15/794043815.db2.gz NJMQNEVHQVORIQ-SOUVJXGZSA-N 2 1 355.483 -1.249 20 0 FAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261488287 794043779 /nfs/dbraw/zinc/04/37/79/794043779.db2.gz NJMQNEVHQVORIQ-ZNMIVQPWSA-N 2 1 355.483 -1.249 20 0 FAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001261548128 794048230 /nfs/dbraw/zinc/04/82/30/794048230.db2.gz FHSUZJYCOMUXAU-QWHCGFSZSA-N 2 1 350.423 -1.339 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261820159 794061648 /nfs/dbraw/zinc/06/16/48/794061648.db2.gz RZDFRKFILJMRDD-RRFJBIMHSA-N 2 1 353.467 -1.624 20 0 FAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261820160 794061665 /nfs/dbraw/zinc/06/16/65/794061665.db2.gz RZDFRKFILJMRDD-SOUVJXGZSA-N 2 1 353.467 -1.624 20 0 FAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1(C)C ZINC001261820204 794061571 /nfs/dbraw/zinc/06/15/71/794061571.db2.gz SYRBQCVDSDMLQJ-UHFFFAOYSA-N 2 1 355.483 -1.247 20 0 FAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCOCC1 ZINC001261823373 794062064 /nfs/dbraw/zinc/06/20/64/794062064.db2.gz XNHGXFRBCZVOCX-UHFFFAOYSA-N 2 1 354.451 -1.066 20 0 FAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001262035056 794067855 /nfs/dbraw/zinc/06/78/55/794067855.db2.gz WXXYSKAVTIZNLO-ZDUSSCGKSA-N 2 1 353.467 -1.148 20 0 FAADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262065921 794068096 /nfs/dbraw/zinc/06/80/96/794068096.db2.gz NQCMITLVGMLUDQ-AWEZNQCLSA-N 2 1 355.483 -1.247 20 0 FAADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262065922 794068208 /nfs/dbraw/zinc/06/82/08/794068208.db2.gz NQCMITLVGMLUDQ-CQSZACIVSA-N 2 1 355.483 -1.247 20 0 FAADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001262195596 794070038 /nfs/dbraw/zinc/07/00/38/794070038.db2.gz FZCBKIPOSQPJDD-NEPJUHHUSA-N 2 1 352.482 -2.014 20 0 FAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001262542277 794075074 /nfs/dbraw/zinc/07/50/74/794075074.db2.gz VVMPNXFDAGOUGL-HZSPNIEDSA-N 2 1 351.451 -1.336 20 0 FAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001262550742 794075641 /nfs/dbraw/zinc/07/56/41/794075641.db2.gz CFOAJDVTGIOWMC-CHWSQXEVSA-N 2 1 352.435 -1.002 20 0 FAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001262550743 794075763 /nfs/dbraw/zinc/07/57/63/794075763.db2.gz CFOAJDVTGIOWMC-OLZOCXBDSA-N 2 1 352.435 -1.002 20 0 FAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001262550744 794075956 /nfs/dbraw/zinc/07/59/56/794075956.db2.gz CFOAJDVTGIOWMC-QWHCGFSZSA-N 2 1 352.435 -1.002 20 0 FAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001262550745 794075615 /nfs/dbraw/zinc/07/56/15/794075615.db2.gz CFOAJDVTGIOWMC-STQMWFEESA-N 2 1 352.435 -1.002 20 0 FAADMP O=C([C@H]1[NH2+]CC12CCOCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001263067020 794076884 /nfs/dbraw/zinc/07/68/84/794076884.db2.gz BKJOAWCNFBVGOG-CYBMUJFWSA-N 2 1 358.464 -1.799 20 0 FAADMP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001263067021 794076259 /nfs/dbraw/zinc/07/62/59/794076259.db2.gz BKJOAWCNFBVGOG-ZDUSSCGKSA-N 2 1 358.464 -1.799 20 0 FAADMP CN(C(=O)C[C@H](O)C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001263112747 794076692 /nfs/dbraw/zinc/07/66/92/794076692.db2.gz PJTFMCXBZAFIRB-HNNXBMFYSA-N 2 1 355.483 -1.607 20 0 FAADMP CN(C(=O)C[C@@H](O)C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001263112748 794076391 /nfs/dbraw/zinc/07/63/91/794076391.db2.gz PJTFMCXBZAFIRB-OAHLLOKOSA-N 2 1 355.483 -1.607 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](C)C1 ZINC001263121826 794076612 /nfs/dbraw/zinc/07/66/12/794076612.db2.gz HIXKCIJHUDLAPE-CHWSQXEVSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](C)C1 ZINC001263121826 794076601 /nfs/dbraw/zinc/07/66/01/794076601.db2.gz HIXKCIJHUDLAPE-CHWSQXEVSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](C)C1 ZINC001263121827 794076441 /nfs/dbraw/zinc/07/64/41/794076441.db2.gz HIXKCIJHUDLAPE-OLZOCXBDSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](C)C1 ZINC001263121827 794076435 /nfs/dbraw/zinc/07/64/35/794076435.db2.gz HIXKCIJHUDLAPE-OLZOCXBDSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@@H](C)C1 ZINC001263121828 794076815 /nfs/dbraw/zinc/07/68/15/794076815.db2.gz HIXKCIJHUDLAPE-QWHCGFSZSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@@H](C)C1 ZINC001263121828 794076808 /nfs/dbraw/zinc/07/68/08/794076808.db2.gz HIXKCIJHUDLAPE-QWHCGFSZSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@@H](C)C1 ZINC001263121829 794076472 /nfs/dbraw/zinc/07/64/72/794076472.db2.gz HIXKCIJHUDLAPE-STQMWFEESA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@@H](C)C1 ZINC001263121829 794076461 /nfs/dbraw/zinc/07/64/61/794076461.db2.gz HIXKCIJHUDLAPE-STQMWFEESA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C ZINC001263124348 794076313 /nfs/dbraw/zinc/07/63/13/794076313.db2.gz ILSYOQHWUHXABS-CHWSQXEVSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C ZINC001263124348 794076307 /nfs/dbraw/zinc/07/63/07/794076307.db2.gz ILSYOQHWUHXABS-CHWSQXEVSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C ZINC001263124349 794077632 /nfs/dbraw/zinc/07/76/32/794077632.db2.gz ILSYOQHWUHXABS-OLZOCXBDSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C ZINC001263124349 794077628 /nfs/dbraw/zinc/07/76/28/794077628.db2.gz ILSYOQHWUHXABS-OLZOCXBDSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C ZINC001263124350 794077574 /nfs/dbraw/zinc/07/75/74/794077574.db2.gz ILSYOQHWUHXABS-QWHCGFSZSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C ZINC001263124350 794077569 /nfs/dbraw/zinc/07/75/69/794077569.db2.gz ILSYOQHWUHXABS-QWHCGFSZSA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C ZINC001263124351 794077748 /nfs/dbraw/zinc/07/77/48/794077748.db2.gz ILSYOQHWUHXABS-STQMWFEESA-N 2 1 352.435 -1.098 20 0 FAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C ZINC001263124351 794077744 /nfs/dbraw/zinc/07/77/44/794077744.db2.gz ILSYOQHWUHXABS-STQMWFEESA-N 2 1 352.435 -1.098 20 0 FAADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538736 794086809 /nfs/dbraw/zinc/08/68/09/794086809.db2.gz HPOFGCVGYIAKAM-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538736 794086803 /nfs/dbraw/zinc/08/68/03/794086803.db2.gz HPOFGCVGYIAKAM-KFWWJZLASA-N 2 1 356.467 -1.094 20 0 FAADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538737 794086514 /nfs/dbraw/zinc/08/65/14/794086514.db2.gz HPOFGCVGYIAKAM-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538737 794086505 /nfs/dbraw/zinc/08/65/05/794086505.db2.gz HPOFGCVGYIAKAM-RBSFLKMASA-N 2 1 356.467 -1.094 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001268308371 789674783 /nfs/dbraw/zinc/67/47/83/789674783.db2.gz OVSZNTVCPCHMEU-FRRDWIJNSA-N 2 1 355.439 -1.665 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001268308373 789674969 /nfs/dbraw/zinc/67/49/69/789674969.db2.gz OVSZNTVCPCHMEU-JHJVBQTASA-N 2 1 355.439 -1.665 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001268308511 789674949 /nfs/dbraw/zinc/67/49/49/789674949.db2.gz PMYQZAFMEYGFCG-HZSPNIEDSA-N 2 1 354.451 -1.068 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001268308512 789674646 /nfs/dbraw/zinc/67/46/46/789674646.db2.gz PMYQZAFMEYGFCG-MELADBBJSA-N 2 1 354.451 -1.068 20 0 FAADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175124 789701030 /nfs/dbraw/zinc/70/10/30/789701030.db2.gz BLPFTLRHAHSGFB-GOOCMWNKSA-N 2 1 356.467 -1.527 20 0 FAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+](CCO)CCO)CC3)[C@H]2C1 ZINC001270176098 789702323 /nfs/dbraw/zinc/70/23/23/789702323.db2.gz RNCVLTRJDYYWQT-KBPBESRZSA-N 2 1 354.451 -2.058 20 0 FAADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+](CCO)CCO)CC3)[C@H]2C1 ZINC001270176098 789702312 /nfs/dbraw/zinc/70/23/12/789702312.db2.gz RNCVLTRJDYYWQT-KBPBESRZSA-N 2 1 354.451 -2.058 20 0 FAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+](CCO)CCO)CC3)[C@@H]2C1 ZINC001270176099 789702185 /nfs/dbraw/zinc/70/21/85/789702185.db2.gz RNCVLTRJDYYWQT-ZIAGYGMSSA-N 2 1 354.451 -2.058 20 0 FAADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+](CCO)CCO)CC3)[C@@H]2C1 ZINC001270176099 789702178 /nfs/dbraw/zinc/70/21/78/789702178.db2.gz RNCVLTRJDYYWQT-ZIAGYGMSSA-N 2 1 354.451 -2.058 20 0 FAADMP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001270176182 789702040 /nfs/dbraw/zinc/70/20/40/789702040.db2.gz VDRKPIJSQGRBRB-UHFFFAOYSA-N 2 1 351.451 -1.296 20 0 FAADMP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001270176182 789702031 /nfs/dbraw/zinc/70/20/31/789702031.db2.gz VDRKPIJSQGRBRB-UHFFFAOYSA-N 2 1 351.451 -1.296 20 0 FAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270856827 790335475 /nfs/dbraw/zinc/33/54/75/790335475.db2.gz LFZJERXBWOCNKI-UHFFFAOYSA-N 2 1 353.467 -1.765 20 0 FAADMP C[NH+](C)CCN1CC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)OCC1=O ZINC001270857657 790335555 /nfs/dbraw/zinc/33/55/55/790335555.db2.gz VZEIWIXEGUBFSE-UHFFFAOYSA-N 2 1 353.467 -1.765 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001271145303 790344406 /nfs/dbraw/zinc/34/44/06/790344406.db2.gz LTIWYARMQYGRSL-CKEIUWERSA-N 2 1 353.467 -1.095 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001271145303 790344392 /nfs/dbraw/zinc/34/43/92/790344392.db2.gz LTIWYARMQYGRSL-CKEIUWERSA-N 2 1 353.467 -1.095 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001271145303 790344383 /nfs/dbraw/zinc/34/43/83/790344383.db2.gz LTIWYARMQYGRSL-CKEIUWERSA-N 2 1 353.467 -1.095 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001271145305 790343601 /nfs/dbraw/zinc/34/36/01/790343601.db2.gz LTIWYARMQYGRSL-CPUCHLNUSA-N 2 1 353.467 -1.095 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001271145305 790343589 /nfs/dbraw/zinc/34/35/89/790343589.db2.gz LTIWYARMQYGRSL-CPUCHLNUSA-N 2 1 353.467 -1.095 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001271145305 790343571 /nfs/dbraw/zinc/34/35/71/790343571.db2.gz LTIWYARMQYGRSL-CPUCHLNUSA-N 2 1 353.467 -1.095 20 0 FAADMP NC(=O)C1CC[NH+](C2CCN(C(=O)C[NH+](CCO)CCO)CC2)CC1 ZINC001271265953 790355288 /nfs/dbraw/zinc/35/52/88/790355288.db2.gz AOJKYZNQJVFSOU-UHFFFAOYSA-N 2 1 356.467 -1.539 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(F)C1=O ZINC001272022077 790377777 /nfs/dbraw/zinc/37/77/77/790377777.db2.gz LWMZFFVIYKDZID-APHBMKBZSA-N 2 1 360.405 -1.020 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(F)C1=O ZINC001272022077 790377766 /nfs/dbraw/zinc/37/77/66/790377766.db2.gz LWMZFFVIYKDZID-APHBMKBZSA-N 2 1 360.405 -1.020 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(F)C1=O ZINC001272022078 790378536 /nfs/dbraw/zinc/37/85/36/790378536.db2.gz LWMZFFVIYKDZID-DAXOMENPSA-N 2 1 360.405 -1.020 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(F)C1=O ZINC001272022078 790378528 /nfs/dbraw/zinc/37/85/28/790378528.db2.gz LWMZFFVIYKDZID-DAXOMENPSA-N 2 1 360.405 -1.020 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001272023064 790377464 /nfs/dbraw/zinc/37/74/64/790377464.db2.gz UVFJOPCDSIHMJX-PBHICJAKSA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001272023064 790377451 /nfs/dbraw/zinc/37/74/51/790377451.db2.gz UVFJOPCDSIHMJX-PBHICJAKSA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001272023066 790377383 /nfs/dbraw/zinc/37/73/83/790377383.db2.gz UVFJOPCDSIHMJX-RHSMWYFYSA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001272023066 790377378 /nfs/dbraw/zinc/37/73/78/790377378.db2.gz UVFJOPCDSIHMJX-RHSMWYFYSA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001272023068 790377870 /nfs/dbraw/zinc/37/78/70/790377870.db2.gz UVFJOPCDSIHMJX-WMLDXEAASA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001272023068 790377857 /nfs/dbraw/zinc/37/78/57/790377857.db2.gz UVFJOPCDSIHMJX-WMLDXEAASA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001272023069 790377509 /nfs/dbraw/zinc/37/75/09/790377509.db2.gz UVFJOPCDSIHMJX-YOEHRIQHSA-N 2 1 354.451 -1.292 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001272023069 790377494 /nfs/dbraw/zinc/37/74/94/790377494.db2.gz UVFJOPCDSIHMJX-YOEHRIQHSA-N 2 1 354.451 -1.292 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272168175 790396737 /nfs/dbraw/zinc/39/67/37/790396737.db2.gz GHRLGHFRYYBJBJ-CHWSQXEVSA-N 2 1 357.455 -1.417 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001272169216 790396208 /nfs/dbraw/zinc/39/62/08/790396208.db2.gz QNQBLBSHTRLOTO-QWHCGFSZSA-N 2 1 357.455 -1.417 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273128242 790547389 /nfs/dbraw/zinc/54/73/89/790547389.db2.gz KPYTZGMHVJHFND-AWEZNQCLSA-N 2 1 353.467 -1.766 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273128243 790546932 /nfs/dbraw/zinc/54/69/32/790546932.db2.gz KPYTZGMHVJHFND-CQSZACIVSA-N 2 1 353.467 -1.766 20 0 FAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273129035 790547214 /nfs/dbraw/zinc/54/72/14/790547214.db2.gz PZVLWUVREXCWGU-AWEZNQCLSA-N 2 1 353.467 -1.766 20 0 FAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273129037 790546993 /nfs/dbraw/zinc/54/69/93/790546993.db2.gz PZVLWUVREXCWGU-CQSZACIVSA-N 2 1 353.467 -1.766 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@@]2(F)C1=O ZINC001273356750 790657842 /nfs/dbraw/zinc/65/78/42/790657842.db2.gz FNLQEMYVDUZNBB-APHBMKBZSA-N 2 1 360.405 -1.284 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@@]2(F)C1=O ZINC001273356750 790657836 /nfs/dbraw/zinc/65/78/36/790657836.db2.gz FNLQEMYVDUZNBB-APHBMKBZSA-N 2 1 360.405 -1.284 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@@]2(F)C1=O ZINC001273356751 790657649 /nfs/dbraw/zinc/65/76/49/790657649.db2.gz FNLQEMYVDUZNBB-DAXOMENPSA-N 2 1 360.405 -1.284 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@@]2(F)C1=O ZINC001273356751 790657643 /nfs/dbraw/zinc/65/76/43/790657643.db2.gz FNLQEMYVDUZNBB-DAXOMENPSA-N 2 1 360.405 -1.284 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001273357040 790656976 /nfs/dbraw/zinc/65/69/76/790656976.db2.gz GGKADHLWCULGPQ-PBHICJAKSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001273357040 790656969 /nfs/dbraw/zinc/65/69/69/790656969.db2.gz GGKADHLWCULGPQ-PBHICJAKSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001273357041 790657969 /nfs/dbraw/zinc/65/79/69/790657969.db2.gz GGKADHLWCULGPQ-RHSMWYFYSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001273357041 790657964 /nfs/dbraw/zinc/65/79/64/790657964.db2.gz GGKADHLWCULGPQ-RHSMWYFYSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001273357042 790657876 /nfs/dbraw/zinc/65/78/76/790657876.db2.gz GGKADHLWCULGPQ-WMLDXEAASA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001273357042 790657870 /nfs/dbraw/zinc/65/78/70/790657870.db2.gz GGKADHLWCULGPQ-WMLDXEAASA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001273357043 790657608 /nfs/dbraw/zinc/65/76/08/790657608.db2.gz GGKADHLWCULGPQ-YOEHRIQHSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001273357043 790657600 /nfs/dbraw/zinc/65/76/00/790657600.db2.gz GGKADHLWCULGPQ-YOEHRIQHSA-N 2 1 354.451 -1.556 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@@]2(F)C1=O ZINC001273361979 790659462 /nfs/dbraw/zinc/65/94/62/790659462.db2.gz AINGKIKEGFVEMY-YXAMBPQSSA-N 2 1 360.405 -1.286 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@@]2(F)C1=O ZINC001273361979 790659458 /nfs/dbraw/zinc/65/94/58/790659458.db2.gz AINGKIKEGFVEMY-YXAMBPQSSA-N 2 1 360.405 -1.286 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)OCC1=O ZINC001273363401 790660425 /nfs/dbraw/zinc/66/04/25/790660425.db2.gz UNCUEQAQWLEPJG-GRDNDAEWSA-N 2 1 354.451 -1.557 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)OCC1=O ZINC001273363401 790660416 /nfs/dbraw/zinc/66/04/16/790660416.db2.gz UNCUEQAQWLEPJG-GRDNDAEWSA-N 2 1 354.451 -1.557 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)OCC1=O ZINC001273363402 790661032 /nfs/dbraw/zinc/66/10/32/790661032.db2.gz UNCUEQAQWLEPJG-ZQIUZPCESA-N 2 1 354.451 -1.557 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)OCC1=O ZINC001273363402 790661026 /nfs/dbraw/zinc/66/10/26/790661026.db2.gz UNCUEQAQWLEPJG-ZQIUZPCESA-N 2 1 354.451 -1.557 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001274521826 792517757 /nfs/dbraw/zinc/51/77/57/792517757.db2.gz YZAHREUCCJSIHR-CHWSQXEVSA-N 2 1 351.455 -1.007 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001274521826 792517746 /nfs/dbraw/zinc/51/77/46/792517746.db2.gz YZAHREUCCJSIHR-CHWSQXEVSA-N 2 1 351.455 -1.007 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001274760864 792523414 /nfs/dbraw/zinc/52/34/14/792523414.db2.gz UQLGGLDQUWFAHU-HZSPNIEDSA-N 2 1 353.467 -1.231 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)OCC1=O ZINC001276675573 792984558 /nfs/dbraw/zinc/98/45/58/792984558.db2.gz DHVBHOQUILLCBX-KRWDZBQOSA-N 2 1 354.451 -1.290 20 0 FAADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)OCC1=O ZINC001276675573 792984552 /nfs/dbraw/zinc/98/45/52/792984552.db2.gz DHVBHOQUILLCBX-KRWDZBQOSA-N 2 1 354.451 -1.290 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)OCC1=O ZINC001276675574 792985173 /nfs/dbraw/zinc/98/51/73/792985173.db2.gz DHVBHOQUILLCBX-QGZVFWFLSA-N 2 1 354.451 -1.290 20 0 FAADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)OCC1=O ZINC001276675574 792985166 /nfs/dbraw/zinc/98/51/66/792985166.db2.gz DHVBHOQUILLCBX-QGZVFWFLSA-N 2 1 354.451 -1.290 20 0 FAADMP C[NH+](C)CCN1C(=O)COCC12CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001276760801 793151847 /nfs/dbraw/zinc/15/18/47/793151847.db2.gz ANGKBWHBGLRMEH-UHFFFAOYSA-N 2 1 353.467 -1.765 20 0 FAADMP C[NH+](C)CCN1CC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)OCC1=O ZINC001276764889 793156192 /nfs/dbraw/zinc/15/61/92/793156192.db2.gz YSUAZYNNYXSZBL-UHFFFAOYSA-N 2 1 353.467 -1.765 20 0 FAADMP C[NH+](C)CCN1CC2(CN(C[C@@H](O)C[NH+]3CCOCC3)C2)OCC1=O ZINC001277696009 793938494 /nfs/dbraw/zinc/93/84/94/793938494.db2.gz CKSPCZRLHNOLQI-HNNXBMFYSA-N 2 1 356.467 -1.846 20 0 FAADMP C[NH+](C)CCN1CC2(CN(C[C@H](O)C[NH+]3CCOCC3)C2)OCC1=O ZINC001277696012 793938574 /nfs/dbraw/zinc/93/85/74/793938574.db2.gz CKSPCZRLHNOLQI-OAHLLOKOSA-N 2 1 356.467 -1.846 20 0 FAADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720317 793941167 /nfs/dbraw/zinc/94/11/67/793941167.db2.gz WOPPBSSBVXVKGY-FUHWJXTLSA-N 2 1 354.495 -1.099 20 0 FAADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720317 793941161 /nfs/dbraw/zinc/94/11/61/793941161.db2.gz WOPPBSSBVXVKGY-FUHWJXTLSA-N 2 1 354.495 -1.099 20 0 FAADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720317 793941157 /nfs/dbraw/zinc/94/11/57/793941157.db2.gz WOPPBSSBVXVKGY-FUHWJXTLSA-N 2 1 354.495 -1.099 20 0 FAADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720318 793941231 /nfs/dbraw/zinc/94/12/31/793941231.db2.gz WOPPBSSBVXVKGY-WMZOPIPTSA-N 2 1 354.495 -1.099 20 0 FAADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720318 793941228 /nfs/dbraw/zinc/94/12/28/793941228.db2.gz WOPPBSSBVXVKGY-WMZOPIPTSA-N 2 1 354.495 -1.099 20 0 FAADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720318 793941220 /nfs/dbraw/zinc/94/12/20/793941220.db2.gz WOPPBSSBVXVKGY-WMZOPIPTSA-N 2 1 354.495 -1.099 20 0 FAADMP COC(=O)[C@@H](O)CN1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277770015 793941966 /nfs/dbraw/zinc/94/19/66/793941966.db2.gz BMALVNUQWFVKLZ-BBRMVZONSA-N 2 1 352.391 -1.280 20 0 FAADMP COC(=O)[C@H](O)CN1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277770016 793941939 /nfs/dbraw/zinc/94/19/39/793941939.db2.gz BMALVNUQWFVKLZ-CJNGLKHVSA-N 2 1 352.391 -1.280 20 0 FAADMP COC(=O)[C@H](O)CN1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277770017 793942132 /nfs/dbraw/zinc/94/21/32/793942132.db2.gz BMALVNUQWFVKLZ-CZUORRHYSA-N 2 1 352.391 -1.280 20 0 FAADMP COC(=O)[C@@H](O)CN1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277770018 793942248 /nfs/dbraw/zinc/94/22/48/793942248.db2.gz BMALVNUQWFVKLZ-XJKSGUPXSA-N 2 1 352.391 -1.280 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001278086410 793953138 /nfs/dbraw/zinc/95/31/38/793953138.db2.gz XFLFLPLJOZUHHA-FRRDWIJNSA-N 2 1 355.439 -1.665 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001278086412 793953607 /nfs/dbraw/zinc/95/36/07/793953607.db2.gz XFLFLPLJOZUHHA-JHJVBQTASA-N 2 1 355.439 -1.665 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278754963 793993410 /nfs/dbraw/zinc/99/34/10/793993410.db2.gz CMYOMYBEMUBPTC-FRRDWIJNSA-N 2 1 357.455 -1.419 20 0 FAADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278754971 793993117 /nfs/dbraw/zinc/99/31/17/793993117.db2.gz CMYOMYBEMUBPTC-JHJVBQTASA-N 2 1 357.455 -1.419 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001278761876 793993968 /nfs/dbraw/zinc/99/39/68/793993968.db2.gz KBWQKBXIACTHBE-FRRDWIJNSA-N 2 1 357.455 -1.419 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001278761880 793993852 /nfs/dbraw/zinc/99/38/52/793993852.db2.gz KBWQKBXIACTHBE-RWMBFGLXSA-N 2 1 357.455 -1.419 20 0 FAADMP Cn1cc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(=O)n(C)c1=O ZINC001279407408 794100547 /nfs/dbraw/zinc/10/05/47/794100547.db2.gz BNQRJUXCXPSWKW-GASCZTMLSA-N 2 1 351.451 -1.469 20 0 FAADMP Cn1cc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(=O)n(C)c1=O ZINC001279407408 794100544 /nfs/dbraw/zinc/10/05/44/794100544.db2.gz BNQRJUXCXPSWKW-GASCZTMLSA-N 2 1 351.451 -1.469 20 0 FAADMP Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(=O)n(C)c1=O ZINC001279407621 794101028 /nfs/dbraw/zinc/10/10/28/794101028.db2.gz HXVNOFSHYJXFEM-CABCVRRESA-N 2 1 351.451 -1.469 20 0 FAADMP Cn1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(=O)n(C)c1=O ZINC001279407623 794101050 /nfs/dbraw/zinc/10/10/50/794101050.db2.gz HXVNOFSHYJXFEM-GJZGRUSLSA-N 2 1 351.451 -1.469 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001279717233 794102989 /nfs/dbraw/zinc/10/29/89/794102989.db2.gz LANMQNRBKQUORZ-BFHYXJOUSA-N 2 1 354.451 -1.068 20 0 FAADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001279717234 794103157 /nfs/dbraw/zinc/10/31/57/794103157.db2.gz LANMQNRBKQUORZ-MELADBBJSA-N 2 1 354.451 -1.068 20 0 FAADMP CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001280137166 794114934 /nfs/dbraw/zinc/11/49/34/794114934.db2.gz IHWKEHLTTOKWMZ-QWHCGFSZSA-N 2 1 358.464 -1.167 20 0 FAADMP CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001280137166 794114929 /nfs/dbraw/zinc/11/49/29/794114929.db2.gz IHWKEHLTTOKWMZ-QWHCGFSZSA-N 2 1 358.464 -1.167 20 0 FAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280206842 794119963 /nfs/dbraw/zinc/11/99/63/794119963.db2.gz WHXDFCKSKVSAQS-CHWSQXEVSA-N 2 1 351.451 -1.667 20 0 FAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280206842 794119960 /nfs/dbraw/zinc/11/99/60/794119960.db2.gz WHXDFCKSKVSAQS-CHWSQXEVSA-N 2 1 351.451 -1.667 20 0 FAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280206845 794120510 /nfs/dbraw/zinc/12/05/10/794120510.db2.gz WHXDFCKSKVSAQS-STQMWFEESA-N 2 1 351.451 -1.667 20 0 FAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280206845 794120504 /nfs/dbraw/zinc/12/05/04/794120504.db2.gz WHXDFCKSKVSAQS-STQMWFEESA-N 2 1 351.451 -1.667 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280582041 794125691 /nfs/dbraw/zinc/12/56/91/794125691.db2.gz HADDZNGELSSYNR-FRRDWIJNSA-N 2 1 355.439 -1.401 20 0 FAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280582042 794125817 /nfs/dbraw/zinc/12/58/17/794125817.db2.gz HADDZNGELSSYNR-JHJVBQTASA-N 2 1 355.439 -1.401 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001281086292 794127931 /nfs/dbraw/zinc/12/79/31/794127931.db2.gz OLERYPVYFBWGQU-QLFBSQMISA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001281086292 794127927 /nfs/dbraw/zinc/12/79/27/794127927.db2.gz OLERYPVYFBWGQU-QLFBSQMISA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001281086305 794128058 /nfs/dbraw/zinc/12/80/58/794128058.db2.gz OLERYPVYFBWGQU-RBSFLKMASA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001281086305 794128056 /nfs/dbraw/zinc/12/80/56/794128056.db2.gz OLERYPVYFBWGQU-RBSFLKMASA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001281096426 794129036 /nfs/dbraw/zinc/12/90/36/794129036.db2.gz DGDHGUDIOSZCSG-QLFBSQMISA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001281096426 794129034 /nfs/dbraw/zinc/12/90/34/794129034.db2.gz DGDHGUDIOSZCSG-QLFBSQMISA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001281096427 794129071 /nfs/dbraw/zinc/12/90/71/794129071.db2.gz DGDHGUDIOSZCSG-RBSFLKMASA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001281096427 794129068 /nfs/dbraw/zinc/12/90/68/794129068.db2.gz DGDHGUDIOSZCSG-RBSFLKMASA-N 2 1 356.467 -1.358 20 0 FAADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001281614050 794134660 /nfs/dbraw/zinc/13/46/60/794134660.db2.gz SUBQCWCOJFWEAW-VXGBXAGGSA-N 2 1 355.439 -1.535 20 0 FAADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001281651885 794143095 /nfs/dbraw/zinc/14/30/95/794143095.db2.gz LYCINDQBIQHOCA-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001281651885 794143090 /nfs/dbraw/zinc/14/30/90/794143090.db2.gz LYCINDQBIQHOCA-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001281651885 794143085 /nfs/dbraw/zinc/14/30/85/794143085.db2.gz LYCINDQBIQHOCA-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001281651885 794143079 /nfs/dbraw/zinc/14/30/79/794143079.db2.gz LYCINDQBIQHOCA-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001281651886 794143242 /nfs/dbraw/zinc/14/32/42/794143242.db2.gz LYCINDQBIQHOCA-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001281651886 794143238 /nfs/dbraw/zinc/14/32/38/794143238.db2.gz LYCINDQBIQHOCA-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001281651886 794143236 /nfs/dbraw/zinc/14/32/36/794143236.db2.gz LYCINDQBIQHOCA-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001281651886 794143233 /nfs/dbraw/zinc/14/32/33/794143233.db2.gz LYCINDQBIQHOCA-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001281652317 794143150 /nfs/dbraw/zinc/14/31/50/794143150.db2.gz QVEIMUMCNXCJKB-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001281652317 794143147 /nfs/dbraw/zinc/14/31/47/794143147.db2.gz QVEIMUMCNXCJKB-MCIONIFRSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001281652318 794143201 /nfs/dbraw/zinc/14/32/01/794143201.db2.gz QVEIMUMCNXCJKB-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001281652318 794143199 /nfs/dbraw/zinc/14/31/99/794143199.db2.gz QVEIMUMCNXCJKB-MGPQQGTHSA-N 2 1 354.451 -1.653 20 0 FAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001281694167 794162062 /nfs/dbraw/zinc/16/20/62/794162062.db2.gz XFUBSOAQFIFUOZ-HUUCEWRRSA-N 2 1 354.451 -1.508 20 0 FAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001281694688 794162083 /nfs/dbraw/zinc/16/20/83/794162083.db2.gz FYODJSPKWAVZPI-ZIAGYGMSSA-N 2 1 353.423 -1.542 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1O ZINC001281700102 794163892 /nfs/dbraw/zinc/16/38/92/794163892.db2.gz IYENPEVXVLEDMT-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1O ZINC001281700102 794163885 /nfs/dbraw/zinc/16/38/85/794163885.db2.gz IYENPEVXVLEDMT-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C[C@H]1O ZINC001281700102 794163879 /nfs/dbraw/zinc/16/38/79/794163879.db2.gz IYENPEVXVLEDMT-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C[C@H]1O ZINC001281700102 794163873 /nfs/dbraw/zinc/16/38/73/794163873.db2.gz IYENPEVXVLEDMT-KFWWJZLASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1O ZINC001281700103 794164070 /nfs/dbraw/zinc/16/40/70/794164070.db2.gz IYENPEVXVLEDMT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1O ZINC001281700103 794164063 /nfs/dbraw/zinc/16/40/63/794164063.db2.gz IYENPEVXVLEDMT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1O ZINC001281700103 794164058 /nfs/dbraw/zinc/16/40/58/794164058.db2.gz IYENPEVXVLEDMT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1O ZINC001281700103 794164051 /nfs/dbraw/zinc/16/40/51/794164051.db2.gz IYENPEVXVLEDMT-RBSFLKMASA-N 2 1 356.467 -1.263 20 0 FAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1 ZINC001281929677 794214921 /nfs/dbraw/zinc/21/49/21/794214921.db2.gz PVDGDCSTYVFFHE-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1 ZINC001281929677 794214915 /nfs/dbraw/zinc/21/49/15/794214915.db2.gz PVDGDCSTYVFFHE-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1 ZINC001281929678 794215070 /nfs/dbraw/zinc/21/50/70/794215070.db2.gz PVDGDCSTYVFFHE-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1 ZINC001281929678 794215065 /nfs/dbraw/zinc/21/50/65/794215065.db2.gz PVDGDCSTYVFFHE-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283377946 794240833 /nfs/dbraw/zinc/24/08/33/794240833.db2.gz QYSSYGHDQKDECL-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283377946 794240828 /nfs/dbraw/zinc/24/08/28/794240828.db2.gz QYSSYGHDQKDECL-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001283377946 794240824 /nfs/dbraw/zinc/24/08/24/794240824.db2.gz QYSSYGHDQKDECL-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283377957 794240954 /nfs/dbraw/zinc/24/09/54/794240954.db2.gz QYSSYGHDQKDECL-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283377957 794240949 /nfs/dbraw/zinc/24/09/49/794240949.db2.gz QYSSYGHDQKDECL-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001283377957 794240946 /nfs/dbraw/zinc/24/09/46/794240946.db2.gz QYSSYGHDQKDECL-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001283759683 794241674 /nfs/dbraw/zinc/24/16/74/794241674.db2.gz JLKSYWGTHJTXTF-KGYLQXTDSA-N 2 1 355.439 -1.619 20 0 FAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001283759684 794241788 /nfs/dbraw/zinc/24/17/88/794241788.db2.gz JLKSYWGTHJTXTF-RAIGVLPGSA-N 2 1 355.439 -1.619 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001284418429 794244960 /nfs/dbraw/zinc/24/49/60/794244960.db2.gz SZYZQZBKQIASTB-QLFBSQMISA-N 2 1 356.467 -1.406 20 0 FAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001284418430 794245357 /nfs/dbraw/zinc/24/53/57/794245357.db2.gz SZYZQZBKQIASTB-RBSFLKMASA-N 2 1 356.467 -1.406 20 0 FAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(N)=O ZINC001284656816 794247955 /nfs/dbraw/zinc/24/79/55/794247955.db2.gz WCBWHIHRZGLPRZ-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(N)=O ZINC001284656816 794247949 /nfs/dbraw/zinc/24/79/49/794247949.db2.gz WCBWHIHRZGLPRZ-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(N)=O ZINC001284656816 794247948 /nfs/dbraw/zinc/24/79/48/794247948.db2.gz WCBWHIHRZGLPRZ-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(N)=O ZINC001284656816 794247941 /nfs/dbraw/zinc/24/79/41/794247941.db2.gz WCBWHIHRZGLPRZ-FRRDWIJNSA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(N)=O ZINC001284656823 794248258 /nfs/dbraw/zinc/24/82/58/794248258.db2.gz WCBWHIHRZGLPRZ-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(N)=O ZINC001284656823 794248253 /nfs/dbraw/zinc/24/82/53/794248253.db2.gz WCBWHIHRZGLPRZ-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(N)=O ZINC001284656823 794248247 /nfs/dbraw/zinc/24/82/47/794248247.db2.gz WCBWHIHRZGLPRZ-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(N)=O ZINC001284656823 794248241 /nfs/dbraw/zinc/24/82/41/794248241.db2.gz WCBWHIHRZGLPRZ-JHJVBQTASA-N 2 1 357.455 -1.025 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001289103973 794284985 /nfs/dbraw/zinc/28/49/85/794284985.db2.gz NFRKONNXCDGLQM-HUUCEWRRSA-N 2 1 356.467 -1.263 20 0 FAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001289133253 794288926 /nfs/dbraw/zinc/28/89/26/794288926.db2.gz MVOVHPQTPYQVAH-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001289133253 794288920 /nfs/dbraw/zinc/28/89/20/794288920.db2.gz MVOVHPQTPYQVAH-QLFBSQMISA-N 2 1 354.451 -1.509 20 0 FAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001289133255 794289912 /nfs/dbraw/zinc/28/99/12/794289912.db2.gz MVOVHPQTPYQVAH-RBSFLKMASA-N 2 1 354.451 -1.509 20 0 FAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001289133255 794289903 /nfs/dbraw/zinc/28/99/03/794289903.db2.gz MVOVHPQTPYQVAH-RBSFLKMASA-N 2 1 354.451 -1.509 20 0 FAADMP C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001289160230 794293616 /nfs/dbraw/zinc/29/36/16/794293616.db2.gz ZSNNJBQMRXEJOW-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1O ZINC001289631034 794327957 /nfs/dbraw/zinc/32/79/57/794327957.db2.gz XKWGHACNSWXXPF-CABCVRRESA-N 2 1 356.467 -1.262 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)C1 ZINC001289636116 794328096 /nfs/dbraw/zinc/32/80/96/794328096.db2.gz AJRMIEHZPKAQCI-ILXRZTDVSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)C1 ZINC001289636116 794328087 /nfs/dbraw/zinc/32/80/87/794328087.db2.gz AJRMIEHZPKAQCI-ILXRZTDVSA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)C1 ZINC001289636117 794328050 /nfs/dbraw/zinc/32/80/50/794328050.db2.gz AJRMIEHZPKAQCI-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)C1 ZINC001289636117 794328043 /nfs/dbraw/zinc/32/80/43/794328043.db2.gz AJRMIEHZPKAQCI-QLFBSQMISA-N 2 1 356.467 -1.263 20 0 FAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648222 794331721 /nfs/dbraw/zinc/33/17/21/794331721.db2.gz ZSVOHHIKCMSQLN-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648222 794331715 /nfs/dbraw/zinc/33/17/15/794331715.db2.gz ZSVOHHIKCMSQLN-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648222 794331708 /nfs/dbraw/zinc/33/17/08/794331708.db2.gz ZSVOHHIKCMSQLN-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648222 794331700 /nfs/dbraw/zinc/33/17/00/794331700.db2.gz ZSVOHHIKCMSQLN-ILXRZTDVSA-N 2 1 356.467 -1.265 20 0 FAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648223 794331563 /nfs/dbraw/zinc/33/15/63/794331563.db2.gz ZSVOHHIKCMSQLN-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648223 794331554 /nfs/dbraw/zinc/33/15/54/794331554.db2.gz ZSVOHHIKCMSQLN-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648223 794331543 /nfs/dbraw/zinc/33/15/43/794331543.db2.gz ZSVOHHIKCMSQLN-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001289648223 794331536 /nfs/dbraw/zinc/33/15/36/794331536.db2.gz ZSVOHHIKCMSQLN-QLFBSQMISA-N 2 1 356.467 -1.265 20 0 FAADMP