smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCc2cc(C[N@@H+]3CC[C@](C)([NH3+])C3)ccc21 ZINC000405788713 940997896 /nfs/dbraw/zinc/99/78/96/940997896.db2.gz FCMKLZHOKFRSOA-INIZCTEOSA-N 2 2 259.397 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3CC[C@](C)([NH3+])C3)ccc21 ZINC000405788713 940997898 /nfs/dbraw/zinc/99/78/98/940997898.db2.gz FCMKLZHOKFRSOA-INIZCTEOSA-N 2 2 259.397 1.992 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001232841189 943417566 /nfs/dbraw/zinc/41/75/66/943417566.db2.gz XGFYNHWAYGFBFR-CZUORRHYSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001232841189 943417568 /nfs/dbraw/zinc/41/75/68/943417568.db2.gz XGFYNHWAYGFBFR-CZUORRHYSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001232841189 943417571 /nfs/dbraw/zinc/41/75/71/943417571.db2.gz XGFYNHWAYGFBFR-CZUORRHYSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001232841189 943417573 /nfs/dbraw/zinc/41/75/73/943417573.db2.gz XGFYNHWAYGFBFR-CZUORRHYSA-N 2 2 289.423 1.984 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168211 944419641 /nfs/dbraw/zinc/41/96/41/944419641.db2.gz GODCJHUIROAFGM-CQSZACIVSA-N 2 2 287.407 1.624 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168211 944419648 /nfs/dbraw/zinc/41/96/48/944419648.db2.gz GODCJHUIROAFGM-CQSZACIVSA-N 2 2 287.407 1.624 20 10 CDCDLP Oc1ccccc1C[NH+]1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246359394 948129890 /nfs/dbraw/zinc/12/98/90/948129890.db2.gz OEMNVLYSPVYOIR-UHFFFAOYSA-N 3 2 289.423 1.698 20 10 CDCDLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C ZINC000228722752 393234212 /nfs/dbraw/zinc/23/42/12/393234212.db2.gz CWTJIZKNASKZOP-HNNXBMFYSA-N 2 2 266.385 1.406 20 10 CDCDLP c1cc(C[NH2+]CCC[NH+]2CCOCC2)cc2c1OCC2 ZINC000037362847 260095110 /nfs/dbraw/zinc/09/51/10/260095110.db2.gz HBQMBVLVKLMGFV-UHFFFAOYSA-N 2 2 276.380 1.433 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1O ZINC000377693306 329024824 /nfs/dbraw/zinc/02/48/24/329024824.db2.gz KHPCOGSCHBAZJY-UHFFFAOYSA-N 2 2 262.353 1.681 20 10 CDCDLP COc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1O ZINC000377693306 329024825 /nfs/dbraw/zinc/02/48/25/329024825.db2.gz KHPCOGSCHBAZJY-UHFFFAOYSA-N 2 2 262.353 1.681 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068801418 522620799 /nfs/dbraw/zinc/62/07/99/522620799.db2.gz SEICTMSSDSEJQC-HIFRSBDPSA-N 2 2 277.412 1.679 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068801418 522620808 /nfs/dbraw/zinc/62/08/08/522620808.db2.gz SEICTMSSDSEJQC-HIFRSBDPSA-N 2 2 277.412 1.679 20 10 CDCDLP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000765637367 576046850 /nfs/dbraw/zinc/04/68/50/576046850.db2.gz CNIYWWLZGTZXJW-HNNXBMFYSA-N 2 2 289.423 1.958 20 10 CDCDLP COc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000765637367 576046854 /nfs/dbraw/zinc/04/68/54/576046854.db2.gz CNIYWWLZGTZXJW-HNNXBMFYSA-N 2 2 289.423 1.958 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841066525 618680175 /nfs/dbraw/zinc/68/01/75/618680175.db2.gz MMIPOUNFPNPZAI-INIZCTEOSA-N 2 2 277.412 1.611 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841100859 618682178 /nfs/dbraw/zinc/68/21/78/618682178.db2.gz MJBPGHMJRZLFQW-HNNXBMFYSA-N 2 2 263.385 1.139 20 10 CDCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816570370 679106603 /nfs/dbraw/zinc/10/66/03/679106603.db2.gz RPCCVFQQBDJAJU-CYBMUJFWSA-N 2 2 288.750 1.341 20 10 CDCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816570370 679106607 /nfs/dbraw/zinc/10/66/07/679106607.db2.gz RPCCVFQQBDJAJU-CYBMUJFWSA-N 2 2 288.750 1.341 20 10 CDCDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956430 678020695 /nfs/dbraw/zinc/02/06/95/678020695.db2.gz YVAVBCKVGQKSPI-LRDDRELGSA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956430 678020698 /nfs/dbraw/zinc/02/06/98/678020698.db2.gz YVAVBCKVGQKSPI-LRDDRELGSA-N 2 2 259.397 1.884 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843048734 678215156 /nfs/dbraw/zinc/21/51/56/678215156.db2.gz UXQDTTMFLIQZRX-VIFPVBQESA-N 2 2 285.185 1.935 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843048734 678215161 /nfs/dbraw/zinc/21/51/61/678215161.db2.gz UXQDTTMFLIQZRX-VIFPVBQESA-N 2 2 285.185 1.935 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000817983790 678282840 /nfs/dbraw/zinc/28/28/40/678282840.db2.gz QLJZZUACPGRDIP-NWDGAFQWSA-N 2 2 250.342 1.340 20 10 CDCDLP COc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000228667863 678998583 /nfs/dbraw/zinc/99/85/83/678998583.db2.gz WBZAGMAMXTZQFL-PHIMTYICSA-N 2 2 282.771 1.705 20 10 CDCDLP COc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000228667863 678998584 /nfs/dbraw/zinc/99/85/84/678998584.db2.gz WBZAGMAMXTZQFL-PHIMTYICSA-N 2 2 282.771 1.705 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000841033035 679046634 /nfs/dbraw/zinc/04/66/34/679046634.db2.gz MWVKSTKJGZQLTI-LBPRGKRZSA-N 2 2 280.368 1.641 20 10 CDCDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973026 679126510 /nfs/dbraw/zinc/12/65/10/679126510.db2.gz BAYOTWRREKIORA-IAQYHMDHSA-N 2 2 282.359 1.951 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000825520228 679199863 /nfs/dbraw/zinc/19/98/63/679199863.db2.gz XFALHSYNDCPWPD-CQSZACIVSA-N 2 2 284.787 1.510 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461683 896166759 /nfs/dbraw/zinc/16/67/59/896166759.db2.gz QVKMEGPGAMYQMN-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001236869001 916993775 /nfs/dbraw/zinc/99/37/75/916993775.db2.gz TWZQBAJSLPZRMQ-HNNXBMFYSA-N 2 2 277.412 1.692 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001236869001 916993784 /nfs/dbraw/zinc/99/37/84/916993784.db2.gz TWZQBAJSLPZRMQ-HNNXBMFYSA-N 2 2 277.412 1.692 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001203634410 939699025 /nfs/dbraw/zinc/69/90/25/939699025.db2.gz DWKVXIYTCPKJCP-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001203634410 939699026 /nfs/dbraw/zinc/69/90/26/939699026.db2.gz DWKVXIYTCPKJCP-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001203634410 939699028 /nfs/dbraw/zinc/69/90/28/939699028.db2.gz DWKVXIYTCPKJCP-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001203634410 939699030 /nfs/dbraw/zinc/69/90/30/939699030.db2.gz DWKVXIYTCPKJCP-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)c(O)c1 ZINC001203880875 939711341 /nfs/dbraw/zinc/71/13/41/939711341.db2.gz JLRRZJZJVSIMSO-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)c(O)c1 ZINC001203880875 939711343 /nfs/dbraw/zinc/71/13/43/939711343.db2.gz JLRRZJZJVSIMSO-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001218955781 941293099 /nfs/dbraw/zinc/29/30/99/941293099.db2.gz PJPFHPWHUDWNNU-INIZCTEOSA-N 2 2 298.390 1.478 20 10 CDCDLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899889 944310990 /nfs/dbraw/zinc/31/09/90/944310990.db2.gz BAPCVBFIXFFOGX-HOCLYGCPSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899889 944310999 /nfs/dbraw/zinc/31/09/99/944310999.db2.gz BAPCVBFIXFFOGX-HOCLYGCPSA-N 3 2 288.439 1.408 20 10 CDCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172331 944422006 /nfs/dbraw/zinc/42/20/06/944422006.db2.gz YIXJAQBPWPDORS-ZDUSSCGKSA-N 2 2 263.385 1.771 20 10 CDCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172331 944422009 /nfs/dbraw/zinc/42/20/09/944422009.db2.gz YIXJAQBPWPDORS-ZDUSSCGKSA-N 2 2 263.385 1.771 20 10 CDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246172263 948007970 /nfs/dbraw/zinc/00/79/70/948007970.db2.gz HHFFLFYWFJZWSH-ZBFHGGJFSA-N 3 2 288.439 1.326 20 10 CDCDLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180453157 357271113 /nfs/dbraw/zinc/27/11/13/357271113.db2.gz KBOFTHMFHXOPOG-OAHLLOKOSA-N 2 2 290.407 1.855 20 10 CDCDLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180453157 357271116 /nfs/dbraw/zinc/27/11/16/357271116.db2.gz KBOFTHMFHXOPOG-OAHLLOKOSA-N 2 2 290.407 1.855 20 10 CDCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253999 365155291 /nfs/dbraw/zinc/15/52/91/365155291.db2.gz MBZOTFRTAGPLJN-YPMHNXCESA-N 2 2 290.363 1.647 20 10 CDCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253999 365155294 /nfs/dbraw/zinc/15/52/94/365155294.db2.gz MBZOTFRTAGPLJN-YPMHNXCESA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253999 365155298 /nfs/dbraw/zinc/15/52/98/365155298.db2.gz MBZOTFRTAGPLJN-YPMHNXCESA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253999 365155301 /nfs/dbraw/zinc/15/53/01/365155301.db2.gz MBZOTFRTAGPLJN-YPMHNXCESA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(F)ccc2O)CC1 ZINC000183249203 391258145 /nfs/dbraw/zinc/25/81/45/391258145.db2.gz NPQOAXKJBJLYIK-UHFFFAOYSA-N 2 2 282.359 1.420 20 10 CDCDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(F)ccc2O)CC1 ZINC000183249203 391258153 /nfs/dbraw/zinc/25/81/53/391258153.db2.gz NPQOAXKJBJLYIK-UHFFFAOYSA-N 2 2 282.359 1.420 20 10 CDCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880085 524961694 /nfs/dbraw/zinc/96/16/94/524961694.db2.gz SWZXYVCPMIYEMP-JTQLQIEISA-N 2 2 275.308 1.496 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817964826 633057656 /nfs/dbraw/zinc/05/76/56/633057656.db2.gz KLPJZISKBZDWCP-GFCCVEGCSA-N 2 2 252.358 1.587 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817980837 679826996 /nfs/dbraw/zinc/82/69/96/679826996.db2.gz XJJFXCJPBDAUGP-GXSJLCMTSA-N 2 2 266.341 1.567 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000817983590 679843348 /nfs/dbraw/zinc/84/33/48/679843348.db2.gz OMOJXNAITSHTFS-ZYHUDNBSSA-N 2 2 266.341 1.040 20 10 CDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817895837 682366753 /nfs/dbraw/zinc/36/67/53/682366753.db2.gz WVIWSHHLLDLPOF-PBHICJAKSA-N 2 2 289.423 1.753 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841046743 682397309 /nfs/dbraw/zinc/39/73/09/682397309.db2.gz MFCXCEFXLIBJHY-UHFFFAOYSA-N 2 2 252.314 1.210 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841023441 682435779 /nfs/dbraw/zinc/43/57/79/682435779.db2.gz CWWGIZGPXVVRSX-RHSMWYFYSA-N 3 2 288.439 1.360 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982331 682808266 /nfs/dbraw/zinc/80/82/66/682808266.db2.gz CFRUJTMRIBTRSQ-JKSUJKDBSA-N 2 2 277.412 1.782 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1C ZINC000817983605 682854719 /nfs/dbraw/zinc/85/47/19/682854719.db2.gz OOFIKZGLGXPUEF-STQMWFEESA-N 2 2 264.369 1.648 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087006 683477704 /nfs/dbraw/zinc/47/77/04/683477704.db2.gz RJWCZYSHMOSRJJ-NSHDSACASA-N 2 2 270.760 1.514 20 10 CDCDLP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882984433 683644096 /nfs/dbraw/zinc/64/40/96/683644096.db2.gz HSSQOIADSPEJOK-LLVKDONJSA-N 2 2 299.365 1.396 20 10 CDCDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045911 683899021 /nfs/dbraw/zinc/89/90/21/683899021.db2.gz LSURCZVODUNGJM-JQWIXIFHSA-N 2 2 278.352 1.823 20 10 CDCDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045911 683899025 /nfs/dbraw/zinc/89/90/25/683899025.db2.gz LSURCZVODUNGJM-JQWIXIFHSA-N 2 2 278.352 1.823 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175457 684266641 /nfs/dbraw/zinc/26/66/41/684266641.db2.gz KIRIKKWBIQMVND-BXUZGUMPSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175457 684266644 /nfs/dbraw/zinc/26/66/44/684266644.db2.gz KIRIKKWBIQMVND-BXUZGUMPSA-N 2 2 264.369 1.960 20 10 CDCDLP C[NH+]1CCN(C2C[NH+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC001203664588 939700109 /nfs/dbraw/zinc/70/01/09/939700109.db2.gz LZZBIHVXPNCLOF-UHFFFAOYSA-N 2 2 295.814 1.477 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001236867861 944595745 /nfs/dbraw/zinc/59/57/45/944595745.db2.gz CPSWVCKYMUXBDM-ZDUSSCGKSA-N 2 2 263.385 1.684 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001236867861 944595748 /nfs/dbraw/zinc/59/57/48/944595748.db2.gz CPSWVCKYMUXBDM-ZDUSSCGKSA-N 2 2 263.385 1.684 20 10 CDCDLP C[N@H+](CCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327819424 955061653 /nfs/dbraw/zinc/06/16/53/955061653.db2.gz RPBJRSBOKMTVEW-UHFFFAOYSA-N 3 2 294.418 1.358 20 10 CDCDLP C[N@@H+](CCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327819424 955061664 /nfs/dbraw/zinc/06/16/64/955061664.db2.gz RPBJRSBOKMTVEW-UHFFFAOYSA-N 3 2 294.418 1.358 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1F ZINC000733327254 575114780 /nfs/dbraw/zinc/11/47/80/575114780.db2.gz QOTCCYLKWIWBIV-LBPRGKRZSA-N 2 2 251.349 1.685 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1F ZINC000733327254 575114782 /nfs/dbraw/zinc/11/47/82/575114782.db2.gz QOTCCYLKWIWBIV-LBPRGKRZSA-N 2 2 251.349 1.685 20 10 CDCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000762790855 576672920 /nfs/dbraw/zinc/67/29/20/576672920.db2.gz KOWNXBIURUWEKZ-ZDUSSCGKSA-N 2 2 288.750 1.341 20 10 CDCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000762790855 576672921 /nfs/dbraw/zinc/67/29/21/576672921.db2.gz KOWNXBIURUWEKZ-ZDUSSCGKSA-N 2 2 288.750 1.341 20 10 CDCDLP COc1cc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000841043078 618677659 /nfs/dbraw/zinc/67/76/59/618677659.db2.gz OJSFSLOYGIJZDF-NSHDSACASA-N 2 2 266.341 1.251 20 10 CDCDLP COc1cc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000841043077 618678066 /nfs/dbraw/zinc/67/80/66/618678066.db2.gz OJSFSLOYGIJZDF-LLVKDONJSA-N 2 2 266.341 1.251 20 10 CDCDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044782 618678685 /nfs/dbraw/zinc/67/86/85/618678685.db2.gz HPJLJUJMMDFWOR-JTQLQIEISA-N 2 2 271.158 1.606 20 10 CDCDLP CC[C@H](COC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046162 621590406 /nfs/dbraw/zinc/59/04/06/621590406.db2.gz XEJUNLUIWXTUBC-UKRRQHHQSA-N 2 2 265.401 1.767 20 10 CDCDLP CCC[N@H+](Cc1cccc(OC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314517 684562491 /nfs/dbraw/zinc/56/24/91/684562491.db2.gz TWTVAOZDCWGNRK-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CCC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314517 684562499 /nfs/dbraw/zinc/56/24/99/684562499.db2.gz TWTVAOZDCWGNRK-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000817944497 684721515 /nfs/dbraw/zinc/72/15/15/684721515.db2.gz FBPIJJHFFVGGKH-AWEZNQCLSA-N 2 2 297.830 1.992 20 10 CDCDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956431 685027623 /nfs/dbraw/zinc/02/76/23/685027623.db2.gz YVAVBCKVGQKSPI-MLGOLLRUSA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956431 685027626 /nfs/dbraw/zinc/02/76/26/685027626.db2.gz YVAVBCKVGQKSPI-MLGOLLRUSA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939162 685835556 /nfs/dbraw/zinc/83/55/56/685835556.db2.gz AAMYSYNEGQORCW-BBRMVZONSA-N 3 2 278.444 1.860 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000841033347 688173709 /nfs/dbraw/zinc/17/37/09/688173709.db2.gz RBUYBKCDRNTXTI-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP COc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC001579144711 1172105168 /nfs/dbraw/zinc/10/51/68/1172105168.db2.gz MTYUOEKCYOQMND-BXUZGUMPSA-N 2 2 264.369 1.939 20 10 CDCDLP Oc1c(F)cccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497360 941602300 /nfs/dbraw/zinc/60/23/00/941602300.db2.gz FWYITMCCHFDAPG-KBPBESRZSA-N 2 2 279.359 1.057 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001235163626 944076585 /nfs/dbraw/zinc/07/65/85/944076585.db2.gz YYLJXQTYATYNSG-DOTOQJQBSA-N 2 2 271.408 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001235163626 944076589 /nfs/dbraw/zinc/07/65/89/944076589.db2.gz YYLJXQTYATYNSG-DOTOQJQBSA-N 2 2 271.408 1.992 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176968 944080699 /nfs/dbraw/zinc/08/06/99/944080699.db2.gz ZMXKLWMXTKPWHG-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176968 944080701 /nfs/dbraw/zinc/08/07/01/944080701.db2.gz ZMXKLWMXTKPWHG-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235992470 944359410 /nfs/dbraw/zinc/35/94/10/944359410.db2.gz KVDYXFWMTMECSQ-RISCZKNCSA-N 2 2 250.317 1.763 20 10 CDCDLP Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235992470 944359422 /nfs/dbraw/zinc/35/94/22/944359422.db2.gz KVDYXFWMTMECSQ-RISCZKNCSA-N 2 2 250.317 1.763 20 10 CDCDLP Oc1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1O ZINC001254838543 947615920 /nfs/dbraw/zinc/61/59/20/947615920.db2.gz FSHUOGVISSTNQY-CQSZACIVSA-N 2 2 276.380 1.714 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130283 522867471 /nfs/dbraw/zinc/86/74/71/522867471.db2.gz OXYUAJPUBJPOIO-GOEBONIOSA-N 2 2 291.439 1.987 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130283 522867476 /nfs/dbraw/zinc/86/74/76/522867476.db2.gz OXYUAJPUBJPOIO-GOEBONIOSA-N 2 2 291.439 1.987 20 10 CDCDLP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1O ZINC000774377103 575201742 /nfs/dbraw/zinc/20/17/42/575201742.db2.gz PXVBRYZMOZTAPF-NSHDSACASA-N 2 2 297.355 1.529 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cocn3)cc2)CC1 ZINC000771850891 575627495 /nfs/dbraw/zinc/62/74/95/575627495.db2.gz VVEYUTHWAZWQQI-UHFFFAOYSA-N 2 2 286.379 1.716 20 10 CDCDLP Oc1cc2c(cc1C[NH2+][C@H]1CCn3cc[nH+]c3C1)OCO2 ZINC000778187656 688853950 /nfs/dbraw/zinc/85/39/50/688853950.db2.gz CANPOMBDSYGDQT-NSHDSACASA-N 2 2 287.319 1.422 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817952621 692843974 /nfs/dbraw/zinc/84/39/74/692843974.db2.gz RWIMDHOHGIXWFU-ZYHUDNBSSA-N 2 2 278.352 1.581 20 10 CDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133462824 694563204 /nfs/dbraw/zinc/56/32/04/694563204.db2.gz CWVRVQKUUCOCOW-UKRRQHHQSA-N 2 2 277.412 1.609 20 10 CDCDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956429 693367778 /nfs/dbraw/zinc/36/77/78/693367778.db2.gz YVAVBCKVGQKSPI-BLLLJJGKSA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956429 693367780 /nfs/dbraw/zinc/36/77/80/693367780.db2.gz YVAVBCKVGQKSPI-BLLLJJGKSA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982053 694638178 /nfs/dbraw/zinc/63/81/78/694638178.db2.gz BFZTVXBQWXZLJL-ONGXEEELSA-N 2 2 270.760 1.685 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966366 694888741 /nfs/dbraw/zinc/88/87/41/694888741.db2.gz MFTOTLTXEMLUPW-BDAKNGLRSA-N 2 2 252.314 1.177 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC001579637885 1172230660 /nfs/dbraw/zinc/23/06/60/1172230660.db2.gz GKYCMXHAKOVCOP-GFCCVEGCSA-N 2 2 283.803 1.429 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC001579637885 1172230666 /nfs/dbraw/zinc/23/06/66/1172230666.db2.gz GKYCMXHAKOVCOP-GFCCVEGCSA-N 2 2 283.803 1.429 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000809972078 723209529 /nfs/dbraw/zinc/20/95/29/723209529.db2.gz QHFBJHVEBPQARM-WCQYABFASA-N 2 2 294.395 1.507 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000809972078 723209535 /nfs/dbraw/zinc/20/95/35/723209535.db2.gz QHFBJHVEBPQARM-WCQYABFASA-N 2 2 294.395 1.507 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1C ZINC000843068574 919405860 /nfs/dbraw/zinc/40/58/60/919405860.db2.gz LFBQRMSRANBCRS-CYBMUJFWSA-N 2 2 250.342 1.169 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1C ZINC000843068574 919405868 /nfs/dbraw/zinc/40/58/68/919405868.db2.gz LFBQRMSRANBCRS-CYBMUJFWSA-N 2 2 250.342 1.169 20 10 CDCDLP [NH3+]C[C@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217727279 941012181 /nfs/dbraw/zinc/01/21/81/941012181.db2.gz VOXMGBLNSCPWGY-GFCCVEGCSA-N 2 2 283.335 1.356 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001236169315 944420967 /nfs/dbraw/zinc/42/09/67/944420967.db2.gz CTQUSKUVSORLEX-MRXNPFEDSA-N 3 2 288.439 1.362 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001236169315 944420970 /nfs/dbraw/zinc/42/09/70/944420970.db2.gz CTQUSKUVSORLEX-MRXNPFEDSA-N 3 2 288.439 1.362 20 10 CDCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253997 365154776 /nfs/dbraw/zinc/15/47/76/365154776.db2.gz MBZOTFRTAGPLJN-DGCLKSJQSA-N 2 2 290.363 1.647 20 10 CDCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253997 365154781 /nfs/dbraw/zinc/15/47/81/365154781.db2.gz MBZOTFRTAGPLJN-DGCLKSJQSA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253997 365154786 /nfs/dbraw/zinc/15/47/86/365154786.db2.gz MBZOTFRTAGPLJN-DGCLKSJQSA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253997 365154793 /nfs/dbraw/zinc/15/47/93/365154793.db2.gz MBZOTFRTAGPLJN-DGCLKSJQSA-N 2 2 290.363 1.647 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000273382186 365491736 /nfs/dbraw/zinc/49/17/36/365491736.db2.gz IOAAXIHIHLHZJW-DGCLKSJQSA-N 2 2 282.359 1.639 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272539167 263006122 /nfs/dbraw/zinc/00/61/22/263006122.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272539167 263006123 /nfs/dbraw/zinc/00/61/23/263006123.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272539167 263006124 /nfs/dbraw/zinc/00/61/24/263006124.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272539167 263006125 /nfs/dbraw/zinc/00/61/25/263006125.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841063978 618679085 /nfs/dbraw/zinc/67/90/85/618679085.db2.gz CYTJNBLIKSPARU-YOEHRIQHSA-N 2 2 289.423 1.753 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000841101205 630596259 /nfs/dbraw/zinc/59/62/59/630596259.db2.gz RRKIQKNWDOPNAK-ZDUSSCGKSA-N 2 2 281.375 1.441 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000841101205 630596263 /nfs/dbraw/zinc/59/62/63/630596263.db2.gz RRKIQKNWDOPNAK-ZDUSSCGKSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942452 695297284 /nfs/dbraw/zinc/29/72/84/695297284.db2.gz OXKQUZFLSZGXHP-MLGOLLRUSA-N 2 2 287.411 1.837 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(F)ccc1O ZINC000717363409 695778283 /nfs/dbraw/zinc/77/82/83/695778283.db2.gz CJKIUXNGKVRXIM-MWLCHTKSSA-N 2 2 256.321 1.104 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364498 695821211 /nfs/dbraw/zinc/82/12/11/695821211.db2.gz KNZFKTGZVKDVHZ-ONGXEEELSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364498 695821212 /nfs/dbraw/zinc/82/12/12/695821212.db2.gz KNZFKTGZVKDVHZ-ONGXEEELSA-N 2 2 280.343 1.903 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000843120374 695827669 /nfs/dbraw/zinc/82/76/69/695827669.db2.gz HOEWFDVYRBJQTR-ZWNOBZJWSA-N 2 2 250.342 1.570 20 10 CDCDLP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000843120374 695827670 /nfs/dbraw/zinc/82/76/70/695827670.db2.gz HOEWFDVYRBJQTR-ZWNOBZJWSA-N 2 2 250.342 1.570 20 10 CDCDLP COc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000037157904 696216395 /nfs/dbraw/zinc/21/63/95/696216395.db2.gz AAYJTSLNUSFYSL-NSHDSACASA-N 2 2 261.325 1.776 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCCO1 ZINC000841101521 723730909 /nfs/dbraw/zinc/73/09/09/723730909.db2.gz WTOQCBQDJHJXRW-NSHDSACASA-N 2 2 254.305 1.081 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052044 724800272 /nfs/dbraw/zinc/80/02/72/724800272.db2.gz PAGJPOKFCZGIDL-GXSJLCMTSA-N 2 2 295.339 1.478 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052044 724800273 /nfs/dbraw/zinc/80/02/73/724800273.db2.gz PAGJPOKFCZGIDL-GXSJLCMTSA-N 2 2 295.339 1.478 20 10 CDCDLP CC[NH2+]CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841038182 725406859 /nfs/dbraw/zinc/40/68/59/725406859.db2.gz XRSUVYVVHBMCCI-UHFFFAOYSA-N 2 2 254.330 1.109 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000925764474 725613900 /nfs/dbraw/zinc/61/39/00/725613900.db2.gz ZNFAARXDTQVPPZ-IRXDYDNUSA-N 3 2 288.439 1.408 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000817975731 930655378 /nfs/dbraw/zinc/65/53/78/930655378.db2.gz AHBFNURRFQJXGA-DCAQKATOSA-N 2 2 268.332 1.751 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[NH+](C)C3)c(O)c1 ZINC001275585272 931895171 /nfs/dbraw/zinc/89/51/71/931895171.db2.gz QLESRIPJUWVGTO-DOMZBBRYSA-N 2 2 275.396 1.594 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[NH+](C)C3)c(O)c1 ZINC001275585272 931895178 /nfs/dbraw/zinc/89/51/78/931895178.db2.gz QLESRIPJUWVGTO-DOMZBBRYSA-N 2 2 275.396 1.594 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[C@H]2C[N@H+](C)C3)c(O)c1 ZINC001275585272 931895182 /nfs/dbraw/zinc/89/51/82/931895182.db2.gz QLESRIPJUWVGTO-DOMZBBRYSA-N 2 2 275.396 1.594 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[C@H]2C[N@@H+](C)C3)c(O)c1 ZINC001275585272 931895184 /nfs/dbraw/zinc/89/51/84/931895184.db2.gz QLESRIPJUWVGTO-DOMZBBRYSA-N 2 2 275.396 1.594 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001236020548 944378066 /nfs/dbraw/zinc/37/80/66/944378066.db2.gz KZAMOLMVVZUMBP-GDBMZVCRSA-N 2 2 273.380 1.056 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001236020548 944378073 /nfs/dbraw/zinc/37/80/73/944378073.db2.gz KZAMOLMVVZUMBP-GDBMZVCRSA-N 2 2 273.380 1.056 20 10 CDCDLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c(OC)c1 ZINC001237675275 944920904 /nfs/dbraw/zinc/92/09/04/944920904.db2.gz VFEAAVDIVQQGEN-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219798656 333157236 /nfs/dbraw/zinc/15/72/36/333157236.db2.gz NELGHHONUKCDRO-GXTWGEPZSA-N 2 2 276.380 1.975 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219798656 333157237 /nfs/dbraw/zinc/15/72/37/333157237.db2.gz NELGHHONUKCDRO-GXTWGEPZSA-N 2 2 276.380 1.975 20 10 CDCDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000131444164 521855504 /nfs/dbraw/zinc/85/55/04/521855504.db2.gz PAHABKWAIUXAIW-ZDUSSCGKSA-N 2 2 272.776 1.448 20 10 CDCDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000278585664 524016165 /nfs/dbraw/zinc/01/61/65/524016165.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 2 2 250.317 1.525 20 10 CDCDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000278585664 524016167 /nfs/dbraw/zinc/01/61/67/524016167.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 2 2 250.317 1.525 20 10 CDCDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000278585664 524016171 /nfs/dbraw/zinc/01/61/71/524016171.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 2 2 250.317 1.525 20 10 CDCDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000278585664 524016173 /nfs/dbraw/zinc/01/61/73/524016173.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 2 2 250.317 1.525 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786904 576671629 /nfs/dbraw/zinc/67/16/29/576671629.db2.gz LOTUVXLAHPINMI-YGRLFVJLSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786904 576671632 /nfs/dbraw/zinc/67/16/32/576671632.db2.gz LOTUVXLAHPINMI-YGRLFVJLSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000756554889 576995448 /nfs/dbraw/zinc/99/54/48/576995448.db2.gz JVKLLICYMFTDSO-ONGXEEELSA-N 2 2 272.776 1.619 20 10 CDCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841065082 618679218 /nfs/dbraw/zinc/67/92/18/618679218.db2.gz MNEGGOUWXKDVLD-ONGXEEELSA-N 2 2 264.325 1.351 20 10 CDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000817958250 726018195 /nfs/dbraw/zinc/01/81/95/726018195.db2.gz UVWWUYAWMSYKMN-WFASDCNBSA-N 2 2 263.385 1.168 20 10 CDCDLP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817895840 726252231 /nfs/dbraw/zinc/25/22/31/726252231.db2.gz WVIWSHHLLDLPOF-YOEHRIQHSA-N 2 2 289.423 1.753 20 10 CDCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886525002 727034468 /nfs/dbraw/zinc/03/44/68/727034468.db2.gz VOMAWVBXFMFOGA-CHWSQXEVSA-N 2 2 295.402 1.818 20 10 CDCDLP COc1ccc(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000305772715 727040508 /nfs/dbraw/zinc/04/05/08/727040508.db2.gz LHJMDLUDDAPBMR-UHFFFAOYSA-N 2 2 294.395 1.289 20 10 CDCDLP COc1ccc(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000305772715 727040512 /nfs/dbraw/zinc/04/05/12/727040512.db2.gz LHJMDLUDDAPBMR-UHFFFAOYSA-N 2 2 294.395 1.289 20 10 CDCDLP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349527 727250134 /nfs/dbraw/zinc/25/01/34/727250134.db2.gz CCJCSCGVXLPBOG-KGLIPLIRSA-N 2 2 275.396 1.616 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000132206610 727396367 /nfs/dbraw/zinc/39/63/67/727396367.db2.gz FFBPXGSHRDXHAL-UHFFFAOYSA-N 2 2 264.369 1.927 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1 ZINC000717355858 727849801 /nfs/dbraw/zinc/84/98/01/727849801.db2.gz XALNTWXVPWQRDB-VXGBXAGGSA-N 2 2 252.358 1.274 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200636 912568311 /nfs/dbraw/zinc/56/83/11/912568311.db2.gz SIRJQFNNCRJIML-GXSJLCMTSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200636 912568321 /nfs/dbraw/zinc/56/83/21/912568321.db2.gz SIRJQFNNCRJIML-GXSJLCMTSA-N 2 2 274.286 1.932 20 10 CDCDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206563718 940061333 /nfs/dbraw/zinc/06/13/33/940061333.db2.gz HYCHNRQCOKHHSZ-HNNXBMFYSA-N 2 2 280.368 1.754 20 10 CDCDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206563718 940061336 /nfs/dbraw/zinc/06/13/36/940061336.db2.gz HYCHNRQCOKHHSZ-HNNXBMFYSA-N 2 2 280.368 1.754 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236883510 944603435 /nfs/dbraw/zinc/60/34/35/944603435.db2.gz DPENCLBZHSUXNH-NSHDSACASA-N 2 2 252.358 1.878 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236883510 944603443 /nfs/dbraw/zinc/60/34/43/944603443.db2.gz DPENCLBZHSUXNH-NSHDSACASA-N 2 2 252.358 1.878 20 10 CDCDLP COc1cc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c(OC)c1 ZINC001236908530 944614871 /nfs/dbraw/zinc/61/48/71/944614871.db2.gz JSWRCLYABAKYJI-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c(OC)c1 ZINC001236908530 944614875 /nfs/dbraw/zinc/61/48/75/944614875.db2.gz JSWRCLYABAKYJI-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]C(C)(C)C[NH3+])c1O ZINC001579155481 1172108793 /nfs/dbraw/zinc/10/87/93/1172108793.db2.gz PKMOCWPTUDCYNR-UHFFFAOYSA-N 2 2 258.749 1.881 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817959279 728757984 /nfs/dbraw/zinc/75/79/84/728757984.db2.gz FADFYZMGXJDHNC-ZANVPECISA-N 2 2 278.352 1.567 20 10 CDCDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000857226575 728960202 /nfs/dbraw/zinc/96/02/02/728960202.db2.gz RQWLKAKLISWQHU-SMDDNHRTSA-N 2 2 250.317 1.845 20 10 CDCDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000857226575 728960204 /nfs/dbraw/zinc/96/02/04/728960204.db2.gz RQWLKAKLISWQHU-SMDDNHRTSA-N 2 2 250.317 1.845 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817896934 729029101 /nfs/dbraw/zinc/02/91/01/729029101.db2.gz ZMWBXGMGTLYLOY-DLBZAZTESA-N 2 2 289.423 1.609 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1c(O)cccc1F ZINC000886590146 729221942 /nfs/dbraw/zinc/22/19/42/729221942.db2.gz ORHSYBPKBMYDCJ-IINYFYTJSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1c(O)cccc1F ZINC000886590146 729221947 /nfs/dbraw/zinc/22/19/47/729221947.db2.gz ORHSYBPKBMYDCJ-IINYFYTJSA-N 2 2 268.332 1.249 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001206163296 911541400 /nfs/dbraw/zinc/54/14/00/911541400.db2.gz BKYJJIYBQUHALP-JQWIXIFHSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001206163296 911541409 /nfs/dbraw/zinc/54/14/09/911541409.db2.gz BKYJJIYBQUHALP-JQWIXIFHSA-N 2 2 256.296 1.793 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000775368803 921904425 /nfs/dbraw/zinc/90/44/25/921904425.db2.gz GHTPJORSRMOWBH-CHWSQXEVSA-N 2 2 294.395 1.508 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205802131 925078649 /nfs/dbraw/zinc/07/86/49/925078649.db2.gz AARAAIJJFFRHEW-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205802131 925078656 /nfs/dbraw/zinc/07/86/56/925078656.db2.gz AARAAIJJFFRHEW-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843051452 937107115 /nfs/dbraw/zinc/10/71/15/937107115.db2.gz IFBDUTFEGHIPGP-GFCCVEGCSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843051452 937107117 /nfs/dbraw/zinc/10/71/17/937107117.db2.gz IFBDUTFEGHIPGP-GFCCVEGCSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204771964 939789717 /nfs/dbraw/zinc/78/97/17/939789717.db2.gz RPGHQUZDTQZGHL-INIZCTEOSA-N 2 2 275.396 1.446 20 10 CDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204771964 939789720 /nfs/dbraw/zinc/78/97/20/939789720.db2.gz RPGHQUZDTQZGHL-INIZCTEOSA-N 2 2 275.396 1.446 20 10 CDCDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204877717 939802237 /nfs/dbraw/zinc/80/22/37/939802237.db2.gz NXVKOMCINAVGKZ-HNNXBMFYSA-N 3 2 274.412 1.019 20 10 CDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204877717 939802238 /nfs/dbraw/zinc/80/22/38/939802238.db2.gz NXVKOMCINAVGKZ-HNNXBMFYSA-N 3 2 274.412 1.019 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206525378 940054637 /nfs/dbraw/zinc/05/46/37/940054637.db2.gz OOPDHGOWWZUWPW-FZMZJTMJSA-N 2 2 283.803 1.157 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206525378 940054640 /nfs/dbraw/zinc/05/46/40/940054640.db2.gz OOPDHGOWWZUWPW-FZMZJTMJSA-N 2 2 283.803 1.157 20 10 CDCDLP C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[NH2+]1 ZINC001236100991 944405435 /nfs/dbraw/zinc/40/54/35/944405435.db2.gz RNJDUIWRQNRGIC-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[NH2+]1 ZINC001236100991 944405438 /nfs/dbraw/zinc/40/54/38/944405438.db2.gz RNJDUIWRQNRGIC-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001326074028 954206775 /nfs/dbraw/zinc/20/67/75/954206775.db2.gz DLMWOMQWEISART-MRXNPFEDSA-N 2 2 275.396 1.365 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1 ZINC001308604547 956551309 /nfs/dbraw/zinc/55/13/09/956551309.db2.gz ZUNVEHDMLHPTEH-SWLSCSKDSA-N 2 2 276.380 1.893 20 10 CDCDLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1 ZINC001308604547 956551315 /nfs/dbraw/zinc/55/13/15/956551315.db2.gz ZUNVEHDMLHPTEH-SWLSCSKDSA-N 2 2 276.380 1.893 20 10 CDCDLP COc1c(O)c(C[NH2+]CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278868519 328231513 /nfs/dbraw/zinc/23/15/13/328231513.db2.gz MSWRIJJJIKQLCP-UHFFFAOYSA-N 2 2 283.328 1.350 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801754 525486399 /nfs/dbraw/zinc/48/63/99/525486399.db2.gz RSIGQQIYGCUPFT-RHSMWYFYSA-N 2 2 290.455 1.649 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801754 525486406 /nfs/dbraw/zinc/48/64/06/525486406.db2.gz RSIGQQIYGCUPFT-RHSMWYFYSA-N 2 2 290.455 1.649 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[NH2+]1 ZINC000841067694 621702478 /nfs/dbraw/zinc/70/24/78/621702478.db2.gz ONZDFIGOBPTFKF-INIZCTEOSA-N 2 2 276.380 1.480 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC3([NH3+])CC3)cc2)CC1 ZINC000904449093 626300062 /nfs/dbraw/zinc/30/00/62/626300062.db2.gz GFEFGYGNOVRIMA-UHFFFAOYSA-N 3 2 274.412 1.019 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000133012117 730593687 /nfs/dbraw/zinc/59/36/87/730593687.db2.gz RGTFPTKHMCGBDW-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000133012117 730593688 /nfs/dbraw/zinc/59/36/88/730593688.db2.gz RGTFPTKHMCGBDW-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000817983003 731007157 /nfs/dbraw/zinc/00/71/57/731007157.db2.gz JKZUBDMPVPUDCP-JQWIXIFHSA-N 2 2 284.787 1.993 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356122 731231087 /nfs/dbraw/zinc/23/10/87/731231087.db2.gz GEEJTWITIMSWMS-JSGCOSHPSA-N 2 2 264.369 1.720 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356122 731231093 /nfs/dbraw/zinc/23/10/93/731231093.db2.gz GEEJTWITIMSWMS-JSGCOSHPSA-N 2 2 264.369 1.720 20 10 CDCDLP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000817976796 731610708 /nfs/dbraw/zinc/61/07/08/731610708.db2.gz UIZQYVAGVBKTTC-SDDRHHMPSA-N 2 2 250.317 1.669 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779191387 731710946 /nfs/dbraw/zinc/71/09/46/731710946.db2.gz HTGWUWSPNMSIGJ-LBPRGKRZSA-N 2 2 273.336 1.702 20 10 CDCDLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939340 732179438 /nfs/dbraw/zinc/17/94/38/732179438.db2.gz BBWLIELJNBHSMN-LALPHHSUSA-N 2 2 265.401 1.765 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000841028654 732353720 /nfs/dbraw/zinc/35/37/20/732353720.db2.gz BWUHCEOMUFWHDC-SNVBAGLBSA-N 2 2 283.328 1.382 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001205787391 939936466 /nfs/dbraw/zinc/93/64/66/939936466.db2.gz GKVCEXOEDPMCFQ-SECBINFHSA-N 2 2 288.294 1.219 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001205787391 939936468 /nfs/dbraw/zinc/93/64/68/939936468.db2.gz GKVCEXOEDPMCFQ-SECBINFHSA-N 2 2 288.294 1.219 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236868882 944595938 /nfs/dbraw/zinc/59/59/38/944595938.db2.gz QUSJZLVMQPMLKO-HNNXBMFYSA-N 2 2 291.439 1.817 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236868882 944595943 /nfs/dbraw/zinc/59/59/43/944595943.db2.gz QUSJZLVMQPMLKO-HNNXBMFYSA-N 2 2 291.439 1.817 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000273382183 365491512 /nfs/dbraw/zinc/49/15/12/365491512.db2.gz IOAAXIHIHLHZJW-AAEUAGOBSA-N 2 2 282.359 1.639 20 10 CDCDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185392088 262053146 /nfs/dbraw/zinc/05/31/46/262053146.db2.gz IMOJVSFLALTSAO-QWHCGFSZSA-N 2 2 295.402 1.818 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756551832 576995089 /nfs/dbraw/zinc/99/50/89/576995089.db2.gz AQBKVHOZUFDMMH-WCBMZHEXSA-N 2 2 274.311 1.244 20 10 CDCDLP COc1cc(Br)cc(C[NH2+][C@@H](C)C[NH3+])c1O ZINC000841063113 621617817 /nfs/dbraw/zinc/61/78/17/621617817.db2.gz GYJZIPWTAMJDRY-ZETCQYMHSA-N 2 2 289.173 1.600 20 10 CDCDLP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000902519249 624919685 /nfs/dbraw/zinc/91/96/85/624919685.db2.gz YLGCVVCCQXLAQQ-ULQDDVLXSA-N 2 2 290.455 1.825 20 10 CDCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816570371 733194120 /nfs/dbraw/zinc/19/41/20/733194120.db2.gz RPCCVFQQBDJAJU-ZDUSSCGKSA-N 2 2 288.750 1.341 20 10 CDCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816570371 733194122 /nfs/dbraw/zinc/19/41/22/733194122.db2.gz RPCCVFQQBDJAJU-ZDUSSCGKSA-N 2 2 288.750 1.341 20 10 CDCDLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045715 733228709 /nfs/dbraw/zinc/22/87/09/733228709.db2.gz OTJMIFVVWQPSAE-NILFDRSVSA-N 2 2 263.385 1.519 20 10 CDCDLP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000226338771 734116281 /nfs/dbraw/zinc/11/62/81/734116281.db2.gz BILZQOTXMNOBLR-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000226338771 734116286 /nfs/dbraw/zinc/11/62/86/734116286.db2.gz BILZQOTXMNOBLR-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000825520227 734666916 /nfs/dbraw/zinc/66/69/16/734666916.db2.gz XFALHSYNDCPWPD-AWEZNQCLSA-N 2 2 284.787 1.510 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000825520227 734666919 /nfs/dbraw/zinc/66/69/19/734666919.db2.gz XFALHSYNDCPWPD-AWEZNQCLSA-N 2 2 284.787 1.510 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000843051765 735181101 /nfs/dbraw/zinc/18/11/01/735181101.db2.gz LNFNBNGTZMRYDJ-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000843051765 735181104 /nfs/dbraw/zinc/18/11/04/735181104.db2.gz LNFNBNGTZMRYDJ-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030508 736298807 /nfs/dbraw/zinc/29/88/07/736298807.db2.gz SJDYUKXSANPEAM-UHFFFAOYSA-N 2 2 283.803 1.431 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200638 912569309 /nfs/dbraw/zinc/56/93/09/912569309.db2.gz SIRJQFNNCRJIML-KOLCDFICSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200638 912569320 /nfs/dbraw/zinc/56/93/20/912569320.db2.gz SIRJQFNNCRJIML-KOLCDFICSA-N 2 2 274.286 1.932 20 10 CDCDLP C[NH+]1CCN(CCC[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000159732227 362360282 /nfs/dbraw/zinc/36/02/82/362360282.db2.gz RTAQVJBISCUYPQ-UHFFFAOYSA-N 2 2 297.830 1.773 20 10 CDCDLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2C1 ZINC000492853166 366184210 /nfs/dbraw/zinc/18/42/10/366184210.db2.gz AVIHEIKLIHMASK-VOTSOKGWSA-N 2 2 282.347 1.902 20 10 CDCDLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2C1 ZINC000492853166 366184215 /nfs/dbraw/zinc/18/42/15/366184215.db2.gz AVIHEIKLIHMASK-VOTSOKGWSA-N 2 2 282.347 1.902 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1C ZINC000273612173 365513924 /nfs/dbraw/zinc/51/39/24/365513924.db2.gz WLIINLVSXIQXIO-GJZGRUSLSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1C ZINC000273612173 365513928 /nfs/dbraw/zinc/51/39/28/365513928.db2.gz WLIINLVSXIQXIO-GJZGRUSLSA-N 2 2 291.439 1.905 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843048223 738475432 /nfs/dbraw/zinc/47/54/32/738475432.db2.gz BTNVMQPWFBXMQS-QMMMGPOBSA-N 2 2 258.724 1.965 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843048223 738475439 /nfs/dbraw/zinc/47/54/39/738475439.db2.gz BTNVMQPWFBXMQS-QMMMGPOBSA-N 2 2 258.724 1.965 20 10 CDCDLP Cc1cc(N(C)C)ccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000843121302 736409431 /nfs/dbraw/zinc/40/94/31/736409431.db2.gz CNNYLTPANOMLLA-INIZCTEOSA-N 2 2 276.428 1.136 20 10 CDCDLP Cc1cc(N(C)C)ccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000843121302 736409438 /nfs/dbraw/zinc/40/94/38/736409438.db2.gz CNNYLTPANOMLLA-INIZCTEOSA-N 2 2 276.428 1.136 20 10 CDCDLP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817934999 737069220 /nfs/dbraw/zinc/06/92/20/737069220.db2.gz DROVNFVGOQZVJS-NSHDSACASA-N 2 2 299.365 1.616 20 10 CDCDLP C[NH+](C)CCCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128400 936475361 /nfs/dbraw/zinc/47/53/61/936475361.db2.gz HOBJCGZLQIPJHN-UHFFFAOYSA-N 2 2 295.402 1.601 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000841035799 936972954 /nfs/dbraw/zinc/97/29/54/936972954.db2.gz MNICAGBKUDUOFG-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276360500 935059396 /nfs/dbraw/zinc/05/93/96/935059396.db2.gz UQFWYCNBEYBIJG-BETUJISGSA-N 2 2 293.386 1.351 20 10 CDCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276360500 935059403 /nfs/dbraw/zinc/05/94/03/935059403.db2.gz UQFWYCNBEYBIJG-BETUJISGSA-N 2 2 293.386 1.351 20 10 CDCDLP COCCC[N@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235804555 944282067 /nfs/dbraw/zinc/28/20/67/944282067.db2.gz FKPRHRBTTRGMJE-INIZCTEOSA-N 2 2 277.412 1.859 20 10 CDCDLP COCCC[N@@H+](Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235804555 944282074 /nfs/dbraw/zinc/28/20/74/944282074.db2.gz FKPRHRBTTRGMJE-INIZCTEOSA-N 2 2 277.412 1.859 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992626 944359797 /nfs/dbraw/zinc/35/97/97/944359797.db2.gz PUWFLDISQQYLBQ-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992626 944359803 /nfs/dbraw/zinc/35/98/03/944359803.db2.gz PUWFLDISQQYLBQ-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001236023812 944379437 /nfs/dbraw/zinc/37/94/37/944379437.db2.gz RNKXOSNQDNOCQG-KSSFIOAISA-N 2 2 299.418 1.624 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001236023812 944379441 /nfs/dbraw/zinc/37/94/41/944379441.db2.gz RNKXOSNQDNOCQG-KSSFIOAISA-N 2 2 299.418 1.624 20 10 CDCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872623 365427074 /nfs/dbraw/zinc/42/70/74/365427074.db2.gz OYQFVJOKDYIGBA-JSGCOSHPSA-N 2 2 291.395 1.383 20 10 CDCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872623 365427076 /nfs/dbraw/zinc/42/70/76/365427076.db2.gz OYQFVJOKDYIGBA-JSGCOSHPSA-N 2 2 291.395 1.383 20 10 CDCDLP C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C[NH+]1CCOCC1 ZINC000297540416 372000958 /nfs/dbraw/zinc/00/09/58/372000958.db2.gz FBCUDQCWBSYTNT-HIFRSBDPSA-N 2 2 290.407 1.937 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000841044376 618678332 /nfs/dbraw/zinc/67/83/32/618678332.db2.gz WEWFSJPAKYWRNG-ZBCRRDGASA-N 3 2 276.428 1.612 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000925764475 740414947 /nfs/dbraw/zinc/41/49/47/740414947.db2.gz ZNFAARXDTQVPPZ-SJORKVTESA-N 3 2 288.439 1.408 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000841033034 741354043 /nfs/dbraw/zinc/35/40/43/741354043.db2.gz MWVKSTKJGZQLTI-GFCCVEGCSA-N 2 2 280.368 1.641 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000841028650 741520563 /nfs/dbraw/zinc/52/05/63/741520563.db2.gz BWUHCEOMUFWHDC-JTQLQIEISA-N 2 2 283.328 1.382 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087001 741750511 /nfs/dbraw/zinc/75/05/11/741750511.db2.gz RJWCZYSHMOSRJJ-LLVKDONJSA-N 2 2 270.760 1.514 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817980839 742032389 /nfs/dbraw/zinc/03/23/89/742032389.db2.gz XJJFXCJPBDAUGP-MWLCHTKSSA-N 2 2 266.341 1.567 20 10 CDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000817958249 740066036 /nfs/dbraw/zinc/06/60/36/740066036.db2.gz UVWWUYAWMSYKMN-SWLSCSKDSA-N 2 2 263.385 1.168 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233320 742009592 /nfs/dbraw/zinc/00/95/92/742009592.db2.gz XUPYUBJTCYNWPE-OLZOCXBDSA-N 2 2 295.402 1.921 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205829765 925365572 /nfs/dbraw/zinc/36/55/72/925365572.db2.gz PQHSYHSAYNKEMV-RYUDHWBXSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205829765 925365581 /nfs/dbraw/zinc/36/55/81/925365581.db2.gz PQHSYHSAYNKEMV-RYUDHWBXSA-N 2 2 294.395 1.969 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204808909 939793289 /nfs/dbraw/zinc/79/32/89/939793289.db2.gz DXWCPGYJERBOGO-HNNXBMFYSA-N 2 2 278.352 1.031 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204808909 939793291 /nfs/dbraw/zinc/79/32/91/939793291.db2.gz DXWCPGYJERBOGO-HNNXBMFYSA-N 2 2 278.352 1.031 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001206101997 939980882 /nfs/dbraw/zinc/98/08/82/939980882.db2.gz ITZQNBGTSDBCJH-HUUCEWRRSA-N 2 2 272.348 1.439 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001206101997 939980884 /nfs/dbraw/zinc/98/08/84/939980884.db2.gz ITZQNBGTSDBCJH-HUUCEWRRSA-N 2 2 272.348 1.439 20 10 CDCDLP COc1cc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206736928 940083460 /nfs/dbraw/zinc/08/34/60/940083460.db2.gz KWLLPHVZMXLFFD-UHFFFAOYSA-N 2 2 266.341 1.190 20 10 CDCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246172207 948007936 /nfs/dbraw/zinc/00/79/36/948007936.db2.gz GOSIRORIGJXYDY-MRXNPFEDSA-N 3 2 288.439 1.328 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131560167 358337769 /nfs/dbraw/zinc/33/77/69/358337769.db2.gz KZSWHXFOFLASEY-KRWDZBQOSA-N 2 2 293.455 1.935 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405888 365492309 /nfs/dbraw/zinc/49/23/09/365492309.db2.gz OJWPFFJYTBWPHU-WCQYABFASA-N 2 2 282.359 1.639 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1F ZINC000131525219 390928328 /nfs/dbraw/zinc/92/83/28/390928328.db2.gz FKLZACSJNLJMKJ-HNNXBMFYSA-N 2 2 283.391 1.294 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000252667301 334384611 /nfs/dbraw/zinc/38/46/11/334384611.db2.gz IIECCQHOAXMGTC-UONOGXRCSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000252667301 334384612 /nfs/dbraw/zinc/38/46/12/334384612.db2.gz IIECCQHOAXMGTC-UONOGXRCSA-N 2 2 292.379 1.354 20 10 CDCDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000131410530 521886970 /nfs/dbraw/zinc/88/69/70/521886970.db2.gz ZELQUEKTQUUZHL-OAHLLOKOSA-N 2 2 264.369 1.024 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756551835 576995137 /nfs/dbraw/zinc/99/51/37/576995137.db2.gz AQBKVHOZUFDMMH-WPRPVWTQSA-N 2 2 274.311 1.244 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C(CF)CF)cc2)CC1 ZINC000824554876 618580683 /nfs/dbraw/zinc/58/06/83/618580683.db2.gz OXMSTBNSNMSDTG-UHFFFAOYSA-N 2 2 283.366 1.836 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OC ZINC000843054032 745401608 /nfs/dbraw/zinc/40/16/08/745401608.db2.gz BLMDRVFBVVXWJR-LLVKDONJSA-N 2 2 266.341 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OC ZINC000843054032 745401609 /nfs/dbraw/zinc/40/16/09/745401609.db2.gz BLMDRVFBVVXWJR-LLVKDONJSA-N 2 2 266.341 1.333 20 10 CDCDLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940015 745475814 /nfs/dbraw/zinc/47/58/14/745475814.db2.gz DUUHLBDKADPAPU-GUYCJALGSA-N 2 2 299.422 1.763 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000841035800 746257244 /nfs/dbraw/zinc/25/72/44/746257244.db2.gz MOMUCUUDEIGDSE-LLVKDONJSA-N 2 2 266.341 1.251 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982328 746673089 /nfs/dbraw/zinc/67/30/89/746673089.db2.gz CFRUJTMRIBTRSQ-CVEARBPZSA-N 2 2 277.412 1.782 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000841050140 748574859 /nfs/dbraw/zinc/57/48/59/748574859.db2.gz PQWUGMDOQIQXMR-KRWDZBQOSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898883 748867294 /nfs/dbraw/zinc/86/72/94/748867294.db2.gz CCZYDYZHKDEHNO-GXTWGEPZSA-N 2 2 295.402 1.748 20 10 CDCDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(O)c1O ZINC001206167340 911792134 /nfs/dbraw/zinc/79/21/34/911792134.db2.gz YKPSKATYCXDNGM-QWRGUYRKSA-N 2 2 284.331 1.368 20 10 CDCDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(O)c1O ZINC001206167340 911792142 /nfs/dbraw/zinc/79/21/42/911792142.db2.gz YKPSKATYCXDNGM-QWRGUYRKSA-N 2 2 284.331 1.368 20 10 CDCDLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419159 944491315 /nfs/dbraw/zinc/49/13/15/944491315.db2.gz HBCWMMXXAKNVGK-PBHICJAKSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419159 944491322 /nfs/dbraw/zinc/49/13/22/944491322.db2.gz HBCWMMXXAKNVGK-PBHICJAKSA-N 3 2 288.439 1.408 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278911122 521881571 /nfs/dbraw/zinc/88/15/71/521881571.db2.gz SPMIUTXEDLZMBQ-SNVBAGLBSA-N 2 2 297.355 1.739 20 10 CDCDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(O)c1OC ZINC000892566820 617508588 /nfs/dbraw/zinc/50/85/88/617508588.db2.gz ODCXCQZMOQTRJJ-LLVKDONJSA-N 2 2 291.351 1.784 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnn(C)c2)cc1 ZINC000841040244 618677149 /nfs/dbraw/zinc/67/71/49/618677149.db2.gz JQJLNRWYBHWWEQ-HNNXBMFYSA-N 2 2 273.384 1.276 20 10 CDCDLP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841099275 618682632 /nfs/dbraw/zinc/68/26/32/618682632.db2.gz ODUWSGWPXDGWDX-KRWDZBQOSA-N 2 2 289.423 1.755 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000809972076 752005820 /nfs/dbraw/zinc/00/58/20/752005820.db2.gz QHFBJHVEBPQARM-AAEUAGOBSA-N 2 2 294.395 1.507 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000809972076 752005824 /nfs/dbraw/zinc/00/58/24/752005824.db2.gz QHFBJHVEBPQARM-AAEUAGOBSA-N 2 2 294.395 1.507 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843047339 749653009 /nfs/dbraw/zinc/65/30/09/749653009.db2.gz RIMDHGRYTJVTHE-AWEZNQCLSA-N 2 2 261.369 1.056 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843047339 749653016 /nfs/dbraw/zinc/65/30/16/749653016.db2.gz RIMDHGRYTJVTHE-AWEZNQCLSA-N 2 2 261.369 1.056 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000843050942 750891342 /nfs/dbraw/zinc/89/13/42/750891342.db2.gz CDYPQFKXRPFAAI-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000843050942 750891343 /nfs/dbraw/zinc/89/13/43/750891343.db2.gz CDYPQFKXRPFAAI-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP CCOC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839130972 751307200 /nfs/dbraw/zinc/30/72/00/751307200.db2.gz JXDSOIGDWJIWCL-UHFFFAOYSA-N 2 2 289.423 1.659 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000843120348 753037223 /nfs/dbraw/zinc/03/72/23/753037223.db2.gz GOLBGCUVESUVOS-ZWNOBZJWSA-N 2 2 250.342 1.570 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000843120348 753037228 /nfs/dbraw/zinc/03/72/28/753037228.db2.gz GOLBGCUVESUVOS-ZWNOBZJWSA-N 2 2 250.342 1.570 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001118019511 937581458 /nfs/dbraw/zinc/58/14/58/937581458.db2.gz OTRYLMSPTFSTOW-UHFFFAOYSA-N 3 2 290.455 1.528 20 10 CDCDLP COCCC[N@H+](Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001236945599 944620815 /nfs/dbraw/zinc/62/08/15/944620815.db2.gz HNRUYHDYLZZFJD-HNNXBMFYSA-N 2 2 263.385 1.469 20 10 CDCDLP COCCC[N@@H+](Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001236945599 944620816 /nfs/dbraw/zinc/62/08/16/944620816.db2.gz HNRUYHDYLZZFJD-HNNXBMFYSA-N 2 2 263.385 1.469 20 10 CDCDLP Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379918 944738863 /nfs/dbraw/zinc/73/88/63/944738863.db2.gz DRYBHDUTUNKAKG-OLZOCXBDSA-N 2 2 262.353 1.672 20 10 CDCDLP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379918 944738868 /nfs/dbraw/zinc/73/88/68/944738868.db2.gz DRYBHDUTUNKAKG-OLZOCXBDSA-N 2 2 262.353 1.672 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000112839327 360977066 /nfs/dbraw/zinc/97/70/66/360977066.db2.gz IIECCQHOAXMGTC-ZIAGYGMSSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000112839327 360977067 /nfs/dbraw/zinc/97/70/67/360977067.db2.gz IIECCQHOAXMGTC-ZIAGYGMSSA-N 2 2 292.379 1.354 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1C ZINC000273612174 365513832 /nfs/dbraw/zinc/51/38/32/365513832.db2.gz WLIINLVSXIQXIO-HUUCEWRRSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1C ZINC000273612174 365513839 /nfs/dbraw/zinc/51/38/39/365513839.db2.gz WLIINLVSXIQXIO-HUUCEWRRSA-N 2 2 291.439 1.905 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1ccccc1O ZINC000061375654 523610016 /nfs/dbraw/zinc/61/00/16/523610016.db2.gz IWYKDWUTUYAOCU-GFCCVEGCSA-N 2 2 252.358 1.621 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1ccccc1O ZINC000061375654 523610022 /nfs/dbraw/zinc/61/00/22/523610022.db2.gz IWYKDWUTUYAOCU-GFCCVEGCSA-N 2 2 252.358 1.621 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCC[NH2+]1 ZINC000841067709 618680568 /nfs/dbraw/zinc/68/05/68/618680568.db2.gz OWMKRNFFWHQFLK-INIZCTEOSA-N 2 2 278.396 1.862 20 10 CDCDLP COc1ccc(N2CCC[N@H+](C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903442656 625997302 /nfs/dbraw/zinc/99/73/02/625997302.db2.gz WMQZBSYNEFGBIP-OAHLLOKOSA-N 2 2 289.423 1.959 20 10 CDCDLP COc1ccc(N2CCC[N@@H+](C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903442656 625997303 /nfs/dbraw/zinc/99/73/03/625997303.db2.gz WMQZBSYNEFGBIP-OAHLLOKOSA-N 2 2 289.423 1.959 20 10 CDCDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000904461390 626296666 /nfs/dbraw/zinc/29/66/66/626296666.db2.gz IUZLDDBVYLCSEO-CXAGYDPISA-N 2 2 298.342 1.835 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1F ZINC000841098021 630550223 /nfs/dbraw/zinc/55/02/23/630550223.db2.gz ABGWGTWNPNVRKP-AWEZNQCLSA-N 2 2 295.402 1.750 20 10 CDCDLP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843048733 754669401 /nfs/dbraw/zinc/66/94/01/754669401.db2.gz UXQDTTMFLIQZRX-SECBINFHSA-N 2 2 285.185 1.935 20 10 CDCDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843048733 754669402 /nfs/dbraw/zinc/66/94/02/754669402.db2.gz UXQDTTMFLIQZRX-SECBINFHSA-N 2 2 285.185 1.935 20 10 CDCDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956432 755234322 /nfs/dbraw/zinc/23/43/22/755234322.db2.gz YVAVBCKVGQKSPI-WBMJQRKESA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956432 755234327 /nfs/dbraw/zinc/23/43/27/755234327.db2.gz YVAVBCKVGQKSPI-WBMJQRKESA-N 2 2 259.397 1.884 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511449 755642522 /nfs/dbraw/zinc/64/25/22/755642522.db2.gz UHJDJKYGBABKAU-NWDGAFQWSA-N 2 2 282.359 1.639 20 10 CDCDLP C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052198 756089052 /nfs/dbraw/zinc/08/90/52/756089052.db2.gz PCFGBJYNQUGFJY-JQWIXIFHSA-N 2 2 278.352 1.680 20 10 CDCDLP C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052198 756089059 /nfs/dbraw/zinc/08/90/59/756089059.db2.gz PCFGBJYNQUGFJY-JQWIXIFHSA-N 2 2 278.352 1.680 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000817983789 756868499 /nfs/dbraw/zinc/86/84/99/756868499.db2.gz QLJZZUACPGRDIP-NEPJUHHUSA-N 2 2 250.342 1.340 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)C[C@H](C)[NH3+])cc1OC ZINC000863651380 757158920 /nfs/dbraw/zinc/15/89/20/757158920.db2.gz HLGJZLRNAFVMJU-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)C[C@H](C)[NH3+])cc1OC ZINC000863651380 757158952 /nfs/dbraw/zinc/15/89/52/757158952.db2.gz HLGJZLRNAFVMJU-VIFPVBQESA-N 2 2 254.330 1.188 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000853248152 757362926 /nfs/dbraw/zinc/36/29/26/757362926.db2.gz CFANRECCCCAQAM-CQSZACIVSA-N 3 2 276.428 1.136 20 10 CDCDLP Oc1ccc(O)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001141163193 936824077 /nfs/dbraw/zinc/82/40/77/936824077.db2.gz UOWSZORKHKUFKG-UHFFFAOYSA-N 2 2 262.353 1.768 20 10 CDCDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538582 940211506 /nfs/dbraw/zinc/21/15/06/940211506.db2.gz WJRIXTLEBITEDN-UHFFFAOYSA-N 2 2 293.386 1.353 20 10 CDCDLP CC[N@H+](Cc1cc(O)c(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001233011970 943462358 /nfs/dbraw/zinc/46/23/58/943462358.db2.gz FIUXDLJFFSBPOM-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001233011970 943462361 /nfs/dbraw/zinc/46/23/61/943462361.db2.gz FIUXDLJFFSBPOM-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994169 944361193 /nfs/dbraw/zinc/36/11/93/944361193.db2.gz SLSJGDGCMQJMHT-IAQYHMDHSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994169 944361200 /nfs/dbraw/zinc/36/12/00/944361200.db2.gz SLSJGDGCMQJMHT-IAQYHMDHSA-N 2 2 278.352 1.333 20 10 CDCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172330 944422566 /nfs/dbraw/zinc/42/25/66/944422566.db2.gz YIXJAQBPWPDORS-CYBMUJFWSA-N 2 2 263.385 1.771 20 10 CDCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172330 944422571 /nfs/dbraw/zinc/42/25/71/944422571.db2.gz YIXJAQBPWPDORS-CYBMUJFWSA-N 2 2 263.385 1.771 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236244523 944434652 /nfs/dbraw/zinc/43/46/52/944434652.db2.gz CVSBJFLFQVRYQD-MRXNPFEDSA-N 2 2 289.423 1.571 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236244523 944434657 /nfs/dbraw/zinc/43/46/57/944434657.db2.gz CVSBJFLFQVRYQD-MRXNPFEDSA-N 2 2 289.423 1.571 20 10 CDCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185392044 262052846 /nfs/dbraw/zinc/05/28/46/262052846.db2.gz IMOJVSFLALTSAO-STQMWFEESA-N 2 2 295.402 1.818 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000817941780 769871634 /nfs/dbraw/zinc/87/16/34/769871634.db2.gz RMXOIAOOZCIGCP-WDEREUQCSA-N 2 2 250.342 1.803 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052045 770073398 /nfs/dbraw/zinc/07/33/98/770073398.db2.gz PAGJPOKFCZGIDL-KOLCDFICSA-N 2 2 295.339 1.478 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052045 770073411 /nfs/dbraw/zinc/07/34/11/770073411.db2.gz PAGJPOKFCZGIDL-KOLCDFICSA-N 2 2 295.339 1.478 20 10 CDCDLP Oc1cc2c(cc1C[NH2+]C[C@H]1CCCC[NH2+]1)OCO2 ZINC000841032604 770864229 /nfs/dbraw/zinc/86/42/29/770864229.db2.gz HNNCPPVIYIBPOF-LLVKDONJSA-N 2 2 264.325 1.353 20 10 CDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843051459 772810032 /nfs/dbraw/zinc/81/00/32/772810032.db2.gz INLUSFRBYIGJGY-CQSZACIVSA-N 3 2 276.428 1.217 20 10 CDCDLP CC[NH2+]CC[NH2+]Cc1cc(Br)ccc1O ZINC000841037719 772989661 /nfs/dbraw/zinc/98/96/61/772989661.db2.gz UCAZDFARTVHDOR-UHFFFAOYSA-N 2 2 273.174 1.854 20 10 CDCDLP CCOCc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OC ZINC000841060418 936973693 /nfs/dbraw/zinc/97/36/93/936973693.db2.gz YKQJJSFEUFZPER-LLVKDONJSA-N 2 2 252.358 1.669 20 10 CDCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205831182 925369563 /nfs/dbraw/zinc/36/95/63/925369563.db2.gz WUGPZCIOAVVIGP-PWSUYJOCSA-N 2 2 250.342 1.657 20 10 CDCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205831182 925369566 /nfs/dbraw/zinc/36/95/66/925369566.db2.gz WUGPZCIOAVVIGP-PWSUYJOCSA-N 2 2 250.342 1.657 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142502040 937023566 /nfs/dbraw/zinc/02/35/66/937023566.db2.gz HCLCUJLRKXWSFI-UHFFFAOYSA-N 2 2 299.365 1.350 20 10 CDCDLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882952 939711294 /nfs/dbraw/zinc/71/12/94/939711294.db2.gz YINWINHJXLDFKW-UHFFFAOYSA-N 2 2 293.411 1.167 20 10 CDCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1[NH3+] ZINC001206058574 939972593 /nfs/dbraw/zinc/97/25/93/939972593.db2.gz GXIOOBFYSKFWGC-CXAGYDPISA-N 2 2 289.423 1.427 20 10 CDCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1[NH3+] ZINC001206058574 939972596 /nfs/dbraw/zinc/97/25/96/939972596.db2.gz GXIOOBFYSKFWGC-CXAGYDPISA-N 2 2 289.423 1.427 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3(C)COC3)cc2F)CC1 ZINC001330652941 956542052 /nfs/dbraw/zinc/54/20/52/956542052.db2.gz SXTXTAJDXWULSG-UHFFFAOYSA-N 2 2 293.386 1.456 20 10 CDCDLP COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443339 576354256 /nfs/dbraw/zinc/35/42/56/576354256.db2.gz XFQWXWZWBPKUJC-WCQYABFASA-N 2 2 262.353 1.585 20 10 CDCDLP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443339 576354257 /nfs/dbraw/zinc/35/42/57/576354257.db2.gz XFQWXWZWBPKUJC-WCQYABFASA-N 2 2 262.353 1.585 20 10 CDCDLP C[C@@H]1C[C@H](C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841044500 618678452 /nfs/dbraw/zinc/67/84/52/618678452.db2.gz ZBWXJURWOONIOP-CPUCHLNUSA-N 3 2 290.455 1.730 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235983377 1161200710 /nfs/dbraw/zinc/20/07/10/1161200710.db2.gz ZNHPIUFZDKPCJT-WFASDCNBSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235983377 1161200715 /nfs/dbraw/zinc/20/07/15/1161200715.db2.gz ZNHPIUFZDKPCJT-WFASDCNBSA-N 2 2 262.353 1.714 20 10 CDCDLP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000841106527 774308518 /nfs/dbraw/zinc/30/85/18/774308518.db2.gz BHPNDIMSHNXHBD-UHFFFAOYSA-N 2 2 288.750 1.470 20 10 CDCDLP Cc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000827885054 774323974 /nfs/dbraw/zinc/32/39/74/774323974.db2.gz PDVZVDAQDVNQKP-UHFFFAOYSA-N 2 2 286.379 1.756 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000923522184 774725740 /nfs/dbraw/zinc/72/57/40/774725740.db2.gz WSJCJEUXYUPOCM-WCQYABFASA-N 2 2 292.354 1.775 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000923522184 774725775 /nfs/dbraw/zinc/72/57/75/774725775.db2.gz WSJCJEUXYUPOCM-WCQYABFASA-N 2 2 292.354 1.775 20 10 CDCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000843120779 774888408 /nfs/dbraw/zinc/88/84/08/774888408.db2.gz ULJAITDEFUAJDR-CZUORRHYSA-N 2 2 275.396 1.302 20 10 CDCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000843120779 774888410 /nfs/dbraw/zinc/88/84/10/774888410.db2.gz ULJAITDEFUAJDR-CZUORRHYSA-N 2 2 275.396 1.302 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226521 775520180 /nfs/dbraw/zinc/52/01/80/775520180.db2.gz QMLAUKBYTOTMEK-BLLLJJGKSA-N 2 2 292.379 1.723 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226521 775520193 /nfs/dbraw/zinc/52/01/93/775520193.db2.gz QMLAUKBYTOTMEK-BLLLJJGKSA-N 2 2 292.379 1.723 20 10 CDCDLP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000877650424 779424512 /nfs/dbraw/zinc/42/45/12/779424512.db2.gz BIWBHSXYTRXYSS-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000877650424 779424518 /nfs/dbraw/zinc/42/45/18/779424518.db2.gz BIWBHSXYTRXYSS-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)ccc1O ZINC000817976779 779494445 /nfs/dbraw/zinc/49/44/45/779494445.db2.gz TXEZGJHKZYHIFI-LSJOCFKGSA-N 2 2 256.296 1.882 20 10 CDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278186 939751033 /nfs/dbraw/zinc/75/10/33/939751033.db2.gz WVSKABPQOIBCHK-SMDDNHRTSA-N 2 2 262.353 1.624 20 10 CDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278186 939751038 /nfs/dbraw/zinc/75/10/38/939751038.db2.gz WVSKABPQOIBCHK-SMDDNHRTSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278186 939751041 /nfs/dbraw/zinc/75/10/41/939751041.db2.gz WVSKABPQOIBCHK-SMDDNHRTSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278186 939751044 /nfs/dbraw/zinc/75/10/44/939751044.db2.gz WVSKABPQOIBCHK-SMDDNHRTSA-N 2 2 262.353 1.624 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1OC ZINC001235988439 944352371 /nfs/dbraw/zinc/35/23/71/944352371.db2.gz HWTWHCWOTCHJLS-IAQYHMDHSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1OC ZINC001235988439 944352377 /nfs/dbraw/zinc/35/23/77/944352377.db2.gz HWTWHCWOTCHJLS-IAQYHMDHSA-N 2 2 278.352 1.333 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001236017414 944374655 /nfs/dbraw/zinc/37/46/55/944374655.db2.gz FKNOJQJRLVLRQO-GDBMZVCRSA-N 2 2 257.381 1.820 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001236017414 944374665 /nfs/dbraw/zinc/37/46/65/944374665.db2.gz FKNOJQJRLVLRQO-GDBMZVCRSA-N 2 2 257.381 1.820 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2c1c(F)ccc2O ZINC000756552220 576995185 /nfs/dbraw/zinc/99/51/85/576995185.db2.gz DCVTZKMJSRBXHG-FOGDFJRCSA-N 2 2 282.359 1.592 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2)CC1 ZINC000895607615 619754472 /nfs/dbraw/zinc/75/44/72/619754472.db2.gz RFZNSUJBPOUQJE-UHFFFAOYSA-N 2 2 285.395 1.451 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817959278 782992270 /nfs/dbraw/zinc/99/22/70/782992270.db2.gz FADFYZMGXJDHNC-TVQRCGJNSA-N 2 2 278.352 1.567 20 10 CDCDLP COc1c(O)c(C[N@H+](C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000843056020 783040081 /nfs/dbraw/zinc/04/00/81/783040081.db2.gz CHDUMYBSIPOSIZ-UHFFFAOYSA-N 2 2 297.355 1.726 20 10 CDCDLP COc1c(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000843056020 783040089 /nfs/dbraw/zinc/04/00/89/783040089.db2.gz CHDUMYBSIPOSIZ-UHFFFAOYSA-N 2 2 297.355 1.726 20 10 CDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898888 780276603 /nfs/dbraw/zinc/27/66/03/780276603.db2.gz CCZYDYZHKDEHNO-TZMCWYRMSA-N 2 2 295.402 1.748 20 10 CDCDLP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349526 780746658 /nfs/dbraw/zinc/74/66/58/780746658.db2.gz CCJCSCGVXLPBOG-KBPBESRZSA-N 2 2 275.396 1.616 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062297 781817447 /nfs/dbraw/zinc/81/74/47/781817447.db2.gz IUCMPKHLNYWOGL-KOLCDFICSA-N 2 2 295.339 1.539 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000824559014 783365367 /nfs/dbraw/zinc/36/53/67/783365367.db2.gz COUCHPVNZITKRV-KRWDZBQOSA-N 2 2 291.439 1.689 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000824559014 783365375 /nfs/dbraw/zinc/36/53/75/783365375.db2.gz COUCHPVNZITKRV-KRWDZBQOSA-N 2 2 291.439 1.689 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000252668404 916521331 /nfs/dbraw/zinc/52/13/31/916521331.db2.gz WLZQDQUSSSRVSI-HOTGVXAUSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000252668404 916521338 /nfs/dbraw/zinc/52/13/38/916521338.db2.gz WLZQDQUSSSRVSI-HOTGVXAUSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000070175479 917204298 /nfs/dbraw/zinc/20/42/98/917204298.db2.gz BILZQOTXMNOBLR-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000070175479 917204314 /nfs/dbraw/zinc/20/43/14/917204314.db2.gz BILZQOTXMNOBLR-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Br)ccc1O ZINC000389604249 936647304 /nfs/dbraw/zinc/64/73/04/936647304.db2.gz XAKRLHCFBKCNEX-MRVPVSSYSA-N 2 2 273.174 1.934 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000389604249 936647306 /nfs/dbraw/zinc/64/73/06/936647306.db2.gz XAKRLHCFBKCNEX-MRVPVSSYSA-N 2 2 273.174 1.934 20 10 CDCDLP Nc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817958842 930644444 /nfs/dbraw/zinc/64/44/44/930644444.db2.gz ZOEIOAIPAOSHKF-HZPDHXFCSA-N 2 2 275.396 1.168 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1O ZINC001204278040 939751240 /nfs/dbraw/zinc/75/12/40/939751240.db2.gz QJINZOUMTTUZGS-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1O ZINC001204278040 939751242 /nfs/dbraw/zinc/75/12/42/939751242.db2.gz QJINZOUMTTUZGS-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345103931 964575612 /nfs/dbraw/zinc/57/56/12/964575612.db2.gz JIHNMXAUCPVEIT-CQSZACIVSA-N 3 2 294.418 1.404 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784873 576671408 /nfs/dbraw/zinc/67/14/08/576671408.db2.gz BEYUKHFKVFCBPG-OTYXRUKQSA-N 2 2 286.322 1.388 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784873 576671409 /nfs/dbraw/zinc/67/14/09/576671409.db2.gz BEYUKHFKVFCBPG-OTYXRUKQSA-N 2 2 286.322 1.388 20 10 CDCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750040184 576972786 /nfs/dbraw/zinc/97/27/86/576972786.db2.gz UHCJVRNVLMZAID-TXEJJXNPSA-N 2 2 294.782 1.899 20 10 CDCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750040184 576972787 /nfs/dbraw/zinc/97/27/87/576972787.db2.gz UHCJVRNVLMZAID-TXEJJXNPSA-N 2 2 294.782 1.899 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001205690904 924518545 /nfs/dbraw/zinc/51/85/45/924518545.db2.gz YUAIBHKAUWEWLL-CQSZACIVSA-N 2 2 284.787 1.721 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001205690904 924518547 /nfs/dbraw/zinc/51/85/47/924518547.db2.gz YUAIBHKAUWEWLL-CQSZACIVSA-N 2 2 284.787 1.721 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000841033408 936972249 /nfs/dbraw/zinc/97/22/49/936972249.db2.gz UCRAAWHHLDTOKA-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000817944305 930642399 /nfs/dbraw/zinc/64/23/99/930642399.db2.gz ZAZRVSYAPNGRNO-XNRPHZJLSA-N 2 2 277.412 1.910 20 10 CDCDLP C[NH+]1CCN(c2ccc(CNc3cc(N)[nH+]cn3)cc2)CC1 ZINC001156658187 938402172 /nfs/dbraw/zinc/40/21/72/938402172.db2.gz URXCAVWPLIZDFI-UHFFFAOYSA-N 2 2 298.394 1.423 20 10 CDCDLP C[NH+]1CCN(c2ccc(CNc3cc(N)nc[nH+]3)cc2)CC1 ZINC001156658187 938402174 /nfs/dbraw/zinc/40/21/74/938402174.db2.gz URXCAVWPLIZDFI-UHFFFAOYSA-N 2 2 298.394 1.423 20 10 CDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204782173 939790074 /nfs/dbraw/zinc/79/00/74/939790074.db2.gz APRRLXKWFSOTNE-MRXNPFEDSA-N 3 2 274.412 1.019 20 10 CDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204782173 939790076 /nfs/dbraw/zinc/79/00/76/939790076.db2.gz APRRLXKWFSOTNE-MRXNPFEDSA-N 3 2 274.412 1.019 20 10 CDCDLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206262601 940008158 /nfs/dbraw/zinc/00/81/58/940008158.db2.gz BBQAAEIEAFOUCQ-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206262601 940008162 /nfs/dbraw/zinc/00/81/62/940008162.db2.gz BBQAAEIEAFOUCQ-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001235971178 944337284 /nfs/dbraw/zinc/33/72/84/944337284.db2.gz RHMSVZSFWJSJQO-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001235971178 944337293 /nfs/dbraw/zinc/33/72/93/944337293.db2.gz RHMSVZSFWJSJQO-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2C1 ZINC000492853165 366184280 /nfs/dbraw/zinc/18/42/80/366184280.db2.gz AVIHEIKLIHMASK-SREVYHEPSA-N 2 2 282.347 1.902 20 10 CDCDLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2C1 ZINC000492853165 366184285 /nfs/dbraw/zinc/18/42/85/366184285.db2.gz AVIHEIKLIHMASK-SREVYHEPSA-N 2 2 282.347 1.902 20 10 CDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227440321 393208991 /nfs/dbraw/zinc/20/89/91/393208991.db2.gz VJAPLELAQWPQHJ-LLVKDONJSA-N 2 2 264.325 1.305 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000841041642 621550670 /nfs/dbraw/zinc/55/06/70/621550670.db2.gz CJWGGIPBURVHKJ-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841066026 621660459 /nfs/dbraw/zinc/66/04/59/621660459.db2.gz QBIOHQIZADGJNO-OAHLLOKOSA-N 3 2 290.455 1.526 20 10 CDCDLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(O)c1 ZINC000858235125 784103561 /nfs/dbraw/zinc/10/35/61/784103561.db2.gz DAYQEONCMJDHEB-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(O)c1 ZINC000858235125 784103568 /nfs/dbraw/zinc/10/35/68/784103568.db2.gz DAYQEONCMJDHEB-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C)cc1O ZINC000817982025 785152567 /nfs/dbraw/zinc/15/25/67/785152567.db2.gz AYYXMGCPRCECNB-OCCSQVGLSA-N 2 2 264.369 1.730 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817971489 785306721 /nfs/dbraw/zinc/30/67/21/785306721.db2.gz DOTVBHHCMJAQMB-DTWKUNHWSA-N 2 2 252.314 1.177 20 10 CDCDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843052989 785840305 /nfs/dbraw/zinc/84/03/05/785840305.db2.gz SCMYAICDAHZKFM-JTQLQIEISA-N 2 2 295.339 1.350 20 10 CDCDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843052989 785840310 /nfs/dbraw/zinc/84/03/10/785840310.db2.gz SCMYAICDAHZKFM-JTQLQIEISA-N 2 2 295.339 1.350 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233323 785970793 /nfs/dbraw/zinc/97/07/93/785970793.db2.gz XUPYUBJTCYNWPE-QWHCGFSZSA-N 2 2 295.402 1.921 20 10 CDCDLP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817934995 786312848 /nfs/dbraw/zinc/31/28/48/786312848.db2.gz DROVNFVGOQZVJS-LLVKDONJSA-N 2 2 299.365 1.616 20 10 CDCDLP CCc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000848876370 788744128 /nfs/dbraw/zinc/74/41/28/788744128.db2.gz HSTGVFZBBNAFLQ-UHFFFAOYSA-N 2 2 292.423 1.843 20 10 CDCDLP CCc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000848876370 788744159 /nfs/dbraw/zinc/74/41/59/788744159.db2.gz HSTGVFZBBNAFLQ-UHFFFAOYSA-N 2 2 292.423 1.843 20 10 CDCDLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(O)c1O ZINC001204340388 917845274 /nfs/dbraw/zinc/84/52/74/917845274.db2.gz PCBZBPVCCMMZEC-UHFFFAOYSA-N 2 2 280.368 1.632 20 10 CDCDLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(O)c1O ZINC001204340388 917845289 /nfs/dbraw/zinc/84/52/89/917845289.db2.gz PCBZBPVCCMMZEC-UHFFFAOYSA-N 2 2 280.368 1.632 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992627 944358762 /nfs/dbraw/zinc/35/87/62/944358762.db2.gz PUWFLDISQQYLBQ-WFASDCNBSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992627 944358768 /nfs/dbraw/zinc/35/87/68/944358768.db2.gz PUWFLDISQQYLBQ-WFASDCNBSA-N 2 2 262.353 1.714 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccon3)cc2)CC1 ZINC000771845220 575626244 /nfs/dbraw/zinc/62/62/44/575626244.db2.gz ZXEVLUMGVHCMPP-UHFFFAOYSA-N 2 2 286.379 1.716 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000841042097 618677426 /nfs/dbraw/zinc/67/74/26/618677426.db2.gz KFCPNVIJBLEJAT-BBRMVZONSA-N 2 2 277.412 1.769 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841064430 618679582 /nfs/dbraw/zinc/67/95/82/618679582.db2.gz BEWBZPFFQMDDGB-CQSZACIVSA-N 2 2 277.412 1.611 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841066814 618680013 /nfs/dbraw/zinc/68/00/13/618680013.db2.gz WRJKUEKWHLBXCH-SNVBAGLBSA-N 2 2 268.357 1.497 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841070204 618681766 /nfs/dbraw/zinc/68/17/66/618681766.db2.gz MLFAKESPANJRHQ-SECBINFHSA-N 2 2 273.174 1.982 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902413078 624817883 /nfs/dbraw/zinc/81/78/83/624817883.db2.gz HYVTZFLOTZFAFQ-VIFPVBQESA-N 2 2 264.325 1.321 20 10 CDCDLP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000902519247 624919508 /nfs/dbraw/zinc/91/95/08/624919508.db2.gz YLGCVVCCQXLAQQ-BBWFWOEESA-N 2 2 290.455 1.825 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904354426 626263459 /nfs/dbraw/zinc/26/34/59/626263459.db2.gz XWDJBUFGNMMLCI-HGMXIMQMSA-N 3 2 262.401 1.079 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000841050141 790148397 /nfs/dbraw/zinc/14/83/97/790148397.db2.gz PQWUGMDOQIQXMR-QGZVFWFLSA-N 3 2 288.439 1.265 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188115 793810127 /nfs/dbraw/zinc/81/01/27/793810127.db2.gz RDYPRRKRXCAGJH-LLVKDONJSA-N 2 2 273.336 1.702 20 10 CDCDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226387 795433039 /nfs/dbraw/zinc/43/30/39/795433039.db2.gz MTYLEFNJZAVLRM-ABAIWWIYSA-N 2 2 276.336 1.434 20 10 CDCDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226387 795433060 /nfs/dbraw/zinc/43/30/60/795433060.db2.gz MTYLEFNJZAVLRM-ABAIWWIYSA-N 2 2 276.336 1.434 20 10 CDCDLP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(O)c1O ZINC001206167339 911791030 /nfs/dbraw/zinc/79/10/30/911791030.db2.gz YKPSKATYCXDNGM-MNOVXSKESA-N 2 2 284.331 1.368 20 10 CDCDLP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(O)c1O ZINC001206167339 911791038 /nfs/dbraw/zinc/79/10/38/911791038.db2.gz YKPSKATYCXDNGM-MNOVXSKESA-N 2 2 284.331 1.368 20 10 CDCDLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001206351385 915673046 /nfs/dbraw/zinc/67/30/46/915673046.db2.gz CGBWPHZDRAMSEI-AWEZNQCLSA-N 2 2 268.332 1.751 20 10 CDCDLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001206351385 915673051 /nfs/dbraw/zinc/67/30/51/915673051.db2.gz CGBWPHZDRAMSEI-AWEZNQCLSA-N 2 2 268.332 1.751 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205829773 925366554 /nfs/dbraw/zinc/36/65/54/925366554.db2.gz PQHSYHSAYNKEMV-VXGBXAGGSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205829773 925366564 /nfs/dbraw/zinc/36/65/64/925366564.db2.gz PQHSYHSAYNKEMV-VXGBXAGGSA-N 2 2 294.395 1.969 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054321 937107775 /nfs/dbraw/zinc/10/77/75/937107775.db2.gz KPJMCRRWDYBJFD-MRXNPFEDSA-N 2 2 275.396 1.446 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054321 937107778 /nfs/dbraw/zinc/10/77/78/937107778.db2.gz KPJMCRRWDYBJFD-MRXNPFEDSA-N 2 2 275.396 1.446 20 10 CDCDLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046896 944390735 /nfs/dbraw/zinc/39/07/35/944390735.db2.gz JJCLWRZYGDGWOD-ZBFHGGJFSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046896 944390739 /nfs/dbraw/zinc/39/07/39/944390739.db2.gz JJCLWRZYGDGWOD-ZBFHGGJFSA-N 3 2 288.439 1.265 20 10 CDCDLP Oc1c(Br)cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770396216 575445337 /nfs/dbraw/zinc/44/53/37/575445337.db2.gz ZAPVXUFEKOXDDG-QWRGUYRKSA-N 2 2 297.196 1.806 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750816966 577007860 /nfs/dbraw/zinc/00/78/60/577007860.db2.gz FVKSLYGDLMPPFW-TXEJJXNPSA-N 2 2 278.327 1.385 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750816966 577007861 /nfs/dbraw/zinc/00/78/61/577007861.db2.gz FVKSLYGDLMPPFW-TXEJJXNPSA-N 2 2 278.327 1.385 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000841042101 618677010 /nfs/dbraw/zinc/67/70/10/618677010.db2.gz KFCPNVIJBLEJAT-CZUORRHYSA-N 2 2 277.412 1.769 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2cccc(F)c2O)CCC[NH2+]1 ZINC000841067959 618680638 /nfs/dbraw/zinc/68/06/38/618680638.db2.gz RJGGLETXWGQCQE-CQSZACIVSA-N 2 2 268.332 1.390 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCCO1 ZINC000841101520 618683293 /nfs/dbraw/zinc/68/32/93/618683293.db2.gz WTOQCBQDJHJXRW-LLVKDONJSA-N 2 2 254.305 1.081 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCCO1 ZINC000841101520 618683295 /nfs/dbraw/zinc/68/32/95/618683295.db2.gz WTOQCBQDJHJXRW-LLVKDONJSA-N 2 2 254.305 1.081 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127490 797029368 /nfs/dbraw/zinc/02/93/68/797029368.db2.gz RRFQFIXYBNAJFS-GWCFXTLKSA-N 2 2 250.317 1.715 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127490 797029376 /nfs/dbraw/zinc/02/93/76/797029376.db2.gz RRFQFIXYBNAJFS-GWCFXTLKSA-N 2 2 250.317 1.715 20 10 CDCDLP COCC[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141158617 936822111 /nfs/dbraw/zinc/82/21/11/936822111.db2.gz HDYOGVBGGCPVEK-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP COCC[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141158617 936822113 /nfs/dbraw/zinc/82/21/13/936822113.db2.gz HDYOGVBGGCPVEK-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000843055704 937108179 /nfs/dbraw/zinc/10/81/79/937108179.db2.gz OGMLEMSCLXAHBX-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000843055704 937108180 /nfs/dbraw/zinc/10/81/80/937108180.db2.gz OGMLEMSCLXAHBX-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP Nc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001262488008 946683270 /nfs/dbraw/zinc/68/32/70/946683270.db2.gz MYKIMQDLSUXFQG-KRWDZBQOSA-N 2 2 289.423 1.956 20 10 CDCDLP Nc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001262488008 946683280 /nfs/dbraw/zinc/68/32/80/946683280.db2.gz MYKIMQDLSUXFQG-KRWDZBQOSA-N 2 2 289.423 1.956 20 10 CDCDLP COc1cc(C[NH2+]CC2(O)C[NH2+]C2)c(O)c(C(C)(C)C)c1 ZINC001579152743 1172108754 /nfs/dbraw/zinc/10/87/54/1172108754.db2.gz FOODGVICZSAKAH-UHFFFAOYSA-N 2 2 294.395 1.122 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068800507 525505563 /nfs/dbraw/zinc/50/55/63/525505563.db2.gz MLCJIKCUKIHMPS-OLZOCXBDSA-N 2 2 263.385 1.289 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068800507 525505572 /nfs/dbraw/zinc/50/55/72/525505572.db2.gz MLCJIKCUKIHMPS-OLZOCXBDSA-N 2 2 263.385 1.289 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803344 525506350 /nfs/dbraw/zinc/50/63/50/525506350.db2.gz DWKMDSKKRSJBCA-YPMHNXCESA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803344 525506356 /nfs/dbraw/zinc/50/63/56/525506356.db2.gz DWKMDSKKRSJBCA-YPMHNXCESA-N 2 2 281.375 1.428 20 10 CDCDLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(O)c1 ZINC000729682583 574820574 /nfs/dbraw/zinc/82/05/74/574820574.db2.gz WBGGDUGZICEJED-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000729682583 574820576 /nfs/dbraw/zinc/82/05/76/574820576.db2.gz WBGGDUGZICEJED-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841043531 618677853 /nfs/dbraw/zinc/67/78/53/618677853.db2.gz SIRQIIBWOIOFBT-NSHDSACASA-N 2 2 270.760 1.896 20 10 CDCDLP COc1cc(O)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000841063919 621623673 /nfs/dbraw/zinc/62/36/73/621623673.db2.gz BXSYUINRDCCJBL-ZYHUDNBSSA-N 2 2 280.368 1.640 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062299 811939646 /nfs/dbraw/zinc/93/96/46/811939646.db2.gz IUCMPKHLNYWOGL-ONGXEEELSA-N 2 2 295.339 1.539 20 10 CDCDLP Oc1cccc(Br)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000706855336 813842696 /nfs/dbraw/zinc/84/26/96/813842696.db2.gz DQCZZEOOQZIPGN-AOOOYVTPSA-N 2 2 297.196 1.806 20 10 CDCDLP Oc1cccc(Br)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000706855336 813842698 /nfs/dbraw/zinc/84/26/98/813842698.db2.gz DQCZZEOOQZIPGN-AOOOYVTPSA-N 2 2 297.196 1.806 20 10 CDCDLP C[C@H](CCCCO)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942568 814263199 /nfs/dbraw/zinc/26/31/99/814263199.db2.gz PPIPTBDQWJPRRF-CJNGLKHVSA-N 2 2 279.428 1.893 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000817894701 816856507 /nfs/dbraw/zinc/85/65/07/816856507.db2.gz PZDYOFWXVMGWPG-ZBFHGGJFSA-N 2 2 291.439 1.918 20 10 CDCDLP Nc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817958841 817317196 /nfs/dbraw/zinc/31/71/96/817317196.db2.gz ZOEIOAIPAOSHKF-HOTGVXAUSA-N 2 2 275.396 1.168 20 10 CDCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141159113 936821984 /nfs/dbraw/zinc/82/19/84/936821984.db2.gz ZPZWUWTYMSNBEV-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141159113 936821985 /nfs/dbraw/zinc/82/19/85/936821985.db2.gz ZPZWUWTYMSNBEV-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141159113 936821986 /nfs/dbraw/zinc/82/19/86/936821986.db2.gz ZPZWUWTYMSNBEV-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141159113 936821987 /nfs/dbraw/zinc/82/19/87/936821987.db2.gz ZPZWUWTYMSNBEV-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855042 925575059 /nfs/dbraw/zinc/57/50/59/925575059.db2.gz LJSAKJKVTAQERW-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855042 925575065 /nfs/dbraw/zinc/57/50/65/925575065.db2.gz LJSAKJKVTAQERW-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821426 932065029 /nfs/dbraw/zinc/06/50/29/932065029.db2.gz QEHAXAQWCYYWSG-YHWZYXNKSA-N 2 2 262.353 1.813 20 10 CDCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001275821426 932065033 /nfs/dbraw/zinc/06/50/33/932065033.db2.gz QEHAXAQWCYYWSG-YHWZYXNKSA-N 2 2 262.353 1.813 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000166373521 940342764 /nfs/dbraw/zinc/34/27/64/940342764.db2.gz GLEHICQXOKXLNP-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP COc1cc(C)c(C[NH+]2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001276806199 941358922 /nfs/dbraw/zinc/35/89/22/941358922.db2.gz LDOFTTOFHOGMDM-UHFFFAOYSA-N 2 2 276.380 1.847 20 10 CDCDLP COc1cc(C)c(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c(O)c1 ZINC001276806199 941358924 /nfs/dbraw/zinc/35/89/24/941358924.db2.gz LDOFTTOFHOGMDM-UHFFFAOYSA-N 2 2 276.380 1.847 20 10 CDCDLP C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210163 948029793 /nfs/dbraw/zinc/02/97/93/948029793.db2.gz CGDGRAIUQBQSHP-KOLCDFICSA-N 2 2 266.341 1.076 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccn[nH]3)cc2)CC1 ZINC000771829149 575622074 /nfs/dbraw/zinc/62/20/74/575622074.db2.gz HMZWPMVRTVYDRD-UHFFFAOYSA-N 2 2 285.395 1.451 20 10 CDCDLP C[NH2+]CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841105059 618682922 /nfs/dbraw/zinc/68/29/22/618682922.db2.gz YMKYXMSUAFJTFA-UHFFFAOYSA-N 2 2 283.328 1.350 20 10 CDCDLP C[NH2+]CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841105059 618682923 /nfs/dbraw/zinc/68/29/23/618682923.db2.gz YMKYXMSUAFJTFA-UHFFFAOYSA-N 2 2 283.328 1.350 20 10 CDCDLP Oc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000041117575 1158527916 /nfs/dbraw/zinc/52/79/16/1158527916.db2.gz VIGSCVZJLHKLNQ-UHFFFAOYSA-N 2 2 262.353 1.814 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000841035797 818702255 /nfs/dbraw/zinc/70/22/55/818702255.db2.gz MNICAGBKUDUOFG-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817958426 821604995 /nfs/dbraw/zinc/60/49/95/821604995.db2.gz JMQJQNYXACZMDN-ZWNOBZJWSA-N 2 2 280.368 1.813 20 10 CDCDLP [NH3+][C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000841034814 821895488 /nfs/dbraw/zinc/89/54/88/821895488.db2.gz CZNPQGHYNHARIR-CYBMUJFWSA-N 2 2 286.331 1.911 20 10 CDCDLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942913 822067474 /nfs/dbraw/zinc/06/74/74/822067474.db2.gz RNHBAPVSRHZDKD-DAXOMENPSA-N 2 2 277.412 1.767 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(F)ccc1O ZINC000817984172 822581233 /nfs/dbraw/zinc/58/12/33/822581233.db2.gz VRSXNSNVKIMKKC-MWLCHTKSSA-N 2 2 254.305 1.170 20 10 CDCDLP COc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000841085432 822617190 /nfs/dbraw/zinc/61/71/90/822617190.db2.gz CFPXEXBYMQRSEP-AWEZNQCLSA-N 2 2 280.368 1.640 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052047 822618179 /nfs/dbraw/zinc/61/81/79/822618179.db2.gz PAGJPOKFCZGIDL-MWLCHTKSSA-N 2 2 295.339 1.478 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052047 822618180 /nfs/dbraw/zinc/61/81/80/822618180.db2.gz PAGJPOKFCZGIDL-MWLCHTKSSA-N 2 2 295.339 1.478 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842944 925445737 /nfs/dbraw/zinc/44/57/37/925445737.db2.gz QAXSSHGPNCIMNG-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842944 925445738 /nfs/dbraw/zinc/44/57/38/925445738.db2.gz QAXSSHGPNCIMNG-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cccc(O)c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857226526 928682047 /nfs/dbraw/zinc/68/20/47/928682047.db2.gz QNMLAYQGMUXPGL-ABAIWWIYSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cccc(O)c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857226526 928682052 /nfs/dbraw/zinc/68/20/52/928682052.db2.gz QNMLAYQGMUXPGL-ABAIWWIYSA-N 2 2 262.353 1.714 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001205674045 939915450 /nfs/dbraw/zinc/91/54/50/939915450.db2.gz YBIYYNIKECYOTR-CQSZACIVSA-N 2 2 268.332 1.207 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001205674045 939915452 /nfs/dbraw/zinc/91/54/52/939915452.db2.gz YBIYYNIKECYOTR-CQSZACIVSA-N 2 2 268.332 1.207 20 10 CDCDLP Oc1ccc(O)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222250059 941578196 /nfs/dbraw/zinc/57/81/96/941578196.db2.gz ZLALCXNINDUTSJ-HNNXBMFYSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1ccc(O)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222250059 941578198 /nfs/dbraw/zinc/57/81/98/941578198.db2.gz ZLALCXNINDUTSJ-HNNXBMFYSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235121480 944060240 /nfs/dbraw/zinc/06/02/40/944060240.db2.gz DXZMPCTWAIHHGU-HNNXBMFYSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235121480 944060244 /nfs/dbraw/zinc/06/02/44/944060244.db2.gz DXZMPCTWAIHHGU-HNNXBMFYSA-N 2 2 262.353 1.816 20 10 CDCDLP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235992466 944357171 /nfs/dbraw/zinc/35/71/71/944357171.db2.gz KVDYXFWMTMECSQ-FZMZJTMJSA-N 2 2 250.317 1.763 20 10 CDCDLP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235992466 944357175 /nfs/dbraw/zinc/35/71/75/944357175.db2.gz KVDYXFWMTMECSQ-FZMZJTMJSA-N 2 2 250.317 1.763 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253191563 951790031 /nfs/dbraw/zinc/79/00/31/951790031.db2.gz AALOQLVVYVTBIK-KRWDZBQOSA-N 2 2 293.455 1.887 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253191563 951790038 /nfs/dbraw/zinc/79/00/38/951790038.db2.gz AALOQLVVYVTBIK-KRWDZBQOSA-N 2 2 293.455 1.887 20 10 CDCDLP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000904449189 626300109 /nfs/dbraw/zinc/30/01/09/626300109.db2.gz FZVKIGXGWLHXHT-UHFFFAOYSA-N 2 2 271.158 1.736 20 10 CDCDLP [NH3+]CCCC[NH2+]Cc1cccc(Br)c1O ZINC000042412408 1158519440 /nfs/dbraw/zinc/51/94/40/1158519440.db2.gz LPRCNUUFSWLCHA-UHFFFAOYSA-N 2 2 273.174 1.983 20 10 CDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000808693998 1162902400 /nfs/dbraw/zinc/90/24/00/1162902400.db2.gz XHULROOXHYNYJO-PWSUYJOCSA-N 2 2 286.803 1.927 20 10 CDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000817958247 824149778 /nfs/dbraw/zinc/14/97/78/824149778.db2.gz UVWWUYAWMSYKMN-DOMZBBRYSA-N 2 2 263.385 1.168 20 10 CDCDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000818996264 825801644 /nfs/dbraw/zinc/80/16/44/825801644.db2.gz CYDYSZIWQJVRIH-OAHLLOKOSA-N 2 2 276.380 1.166 20 10 CDCDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000818996264 825801648 /nfs/dbraw/zinc/80/16/48/825801648.db2.gz CYDYSZIWQJVRIH-OAHLLOKOSA-N 2 2 276.380 1.166 20 10 CDCDLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccc(C)cc1O ZINC000817965097 826768879 /nfs/dbraw/zinc/76/88/79/826768879.db2.gz PLWJAWBTMHQOFW-AWEZNQCLSA-N 2 2 266.385 1.977 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779192949 826800955 /nfs/dbraw/zinc/80/09/55/826800955.db2.gz RHBGJSIWQLBMLN-GFCCVEGCSA-N 2 2 261.300 1.832 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000841033407 827039844 /nfs/dbraw/zinc/03/98/44/827039844.db2.gz UCRAAWHHLDTOKA-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062296 827233906 /nfs/dbraw/zinc/23/39/06/827233906.db2.gz IUCMPKHLNYWOGL-GXSJLCMTSA-N 2 2 295.339 1.539 20 10 CDCDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(O)c1O ZINC001206167338 911790550 /nfs/dbraw/zinc/79/05/50/911790550.db2.gz YKPSKATYCXDNGM-GHMZBOCLSA-N 2 2 284.331 1.368 20 10 CDCDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(O)c1O ZINC001206167338 911790563 /nfs/dbraw/zinc/79/05/63/911790563.db2.gz YKPSKATYCXDNGM-GHMZBOCLSA-N 2 2 284.331 1.368 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1F ZINC001206185177 912127388 /nfs/dbraw/zinc/12/73/88/912127388.db2.gz LIFIPTVDHPICOX-UWVGGRQHSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1F ZINC001206185177 912127397 /nfs/dbraw/zinc/12/73/97/912127397.db2.gz LIFIPTVDHPICOX-UWVGGRQHSA-N 2 2 270.304 1.065 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[NH+]3CC(O)C3)cc2)CC1 ZINC001140299798 936699320 /nfs/dbraw/zinc/69/93/20/936699320.db2.gz GDAAMQDLVQBYAZ-UHFFFAOYSA-N 2 2 275.396 1.005 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770767 924880639 /nfs/dbraw/zinc/88/06/39/924880639.db2.gz NYFXDXAUXRUWQE-JTQLQIEISA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770767 924880646 /nfs/dbraw/zinc/88/06/46/924880646.db2.gz NYFXDXAUXRUWQE-JTQLQIEISA-N 2 2 274.286 1.947 20 10 CDCDLP OCC[NH2+]C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000686279359 934027956 /nfs/dbraw/zinc/02/79/56/934027956.db2.gz LKCZXQJNQSEVQQ-UHFFFAOYSA-N 2 2 268.332 1.078 20 10 CDCDLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001205229712 939839946 /nfs/dbraw/zinc/83/99/46/939839946.db2.gz OKIWRWYCZCUHSI-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001205229712 939839947 /nfs/dbraw/zinc/83/99/47/939839947.db2.gz OKIWRWYCZCUHSI-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP COCC[N@H+](C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226589385 359703093 /nfs/dbraw/zinc/70/30/93/359703093.db2.gz QJPUYOUROJHPAL-UHFFFAOYSA-N 2 2 256.321 1.199 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226589385 359703098 /nfs/dbraw/zinc/70/30/98/359703098.db2.gz QJPUYOUROJHPAL-UHFFFAOYSA-N 2 2 256.321 1.199 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618131 523608158 /nfs/dbraw/zinc/60/81/58/523608158.db2.gz MBWQKLDCERATDH-NSHDSACASA-N 2 2 270.348 1.760 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618131 523608165 /nfs/dbraw/zinc/60/81/65/523608165.db2.gz MBWQKLDCERATDH-NSHDSACASA-N 2 2 270.348 1.760 20 10 CDCDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043906 618678575 /nfs/dbraw/zinc/67/85/75/618678575.db2.gz YZYXHDGQMRJUIP-NSHDSACASA-N 2 2 285.185 1.996 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000841066599 618680233 /nfs/dbraw/zinc/68/02/33/618680233.db2.gz DDVCDBHGRBZFLT-AWEZNQCLSA-N 2 2 284.787 1.904 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420449 626295074 /nfs/dbraw/zinc/29/50/74/626295074.db2.gz OUTWGUHEIWKWSK-CMPLNLGQSA-N 2 2 250.317 1.573 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420449 626295078 /nfs/dbraw/zinc/29/50/78/626295078.db2.gz OUTWGUHEIWKWSK-CMPLNLGQSA-N 2 2 250.317 1.573 20 10 CDCDLP [NH3+][C@@H](C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000841048916 833325852 /nfs/dbraw/zinc/32/58/52/833325852.db2.gz GQWYIPBJEIELPJ-NSHDSACASA-N 2 2 285.185 1.982 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000107797419 833343389 /nfs/dbraw/zinc/34/33/89/833343389.db2.gz QTAMZXLUHCYFKQ-OAHLLOKOSA-N 3 2 276.428 1.265 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817980840 832314093 /nfs/dbraw/zinc/31/40/93/832314093.db2.gz XJJFXCJPBDAUGP-ONGXEEELSA-N 2 2 266.341 1.567 20 10 CDCDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000107797354 833893305 /nfs/dbraw/zinc/89/33/05/833893305.db2.gz BNIDLYHYCLCHOR-KRWDZBQOSA-N 3 2 290.455 1.511 20 10 CDCDLP COc1ccc(N2CCC[N@H+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000844221265 832857709 /nfs/dbraw/zinc/85/77/09/832857709.db2.gz BJWDRCZTPGTMGY-CYBMUJFWSA-N 2 2 263.385 1.555 20 10 CDCDLP COc1ccc(N2CCC[N@@H+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000844221265 832857710 /nfs/dbraw/zinc/85/77/10/832857710.db2.gz BJWDRCZTPGTMGY-CYBMUJFWSA-N 2 2 263.385 1.555 20 10 CDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000808693999 835428188 /nfs/dbraw/zinc/42/81/88/835428188.db2.gz XHULROOXHYNYJO-ZYHUDNBSSA-N 2 2 286.803 1.927 20 10 CDCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000775746900 835566416 /nfs/dbraw/zinc/56/64/16/835566416.db2.gz HKIBIYJXKQVVAC-QWRGUYRKSA-N 2 2 252.745 1.697 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001206163299 911544031 /nfs/dbraw/zinc/54/40/31/911544031.db2.gz BKYJJIYBQUHALP-ZYHUDNBSSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001206163299 911544041 /nfs/dbraw/zinc/54/40/41/911544041.db2.gz BKYJJIYBQUHALP-ZYHUDNBSSA-N 2 2 256.296 1.793 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842941 925445440 /nfs/dbraw/zinc/44/54/40/925445440.db2.gz QAXSSHGPNCIMNG-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842941 925445445 /nfs/dbraw/zinc/44/54/45/925445445.db2.gz QAXSSHGPNCIMNG-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3CC[C@@](C)([NH3+])C3)ccc21 ZINC000405788715 940997924 /nfs/dbraw/zinc/99/79/24/940997924.db2.gz FCMKLZHOKFRSOA-MRXNPFEDSA-N 2 2 259.397 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3CC[C@@](C)([NH3+])C3)ccc21 ZINC000405788715 940997925 /nfs/dbraw/zinc/99/79/25/940997925.db2.gz FCMKLZHOKFRSOA-MRXNPFEDSA-N 2 2 259.397 1.992 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994171 944361655 /nfs/dbraw/zinc/36/16/55/944361655.db2.gz SLSJGDGCMQJMHT-NHYWBVRUSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994171 944361658 /nfs/dbraw/zinc/36/16/58/944361658.db2.gz SLSJGDGCMQJMHT-NHYWBVRUSA-N 2 2 278.352 1.333 20 10 CDCDLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419161 944491507 /nfs/dbraw/zinc/49/15/07/944491507.db2.gz HBCWMMXXAKNVGK-WMLDXEAASA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419161 944491509 /nfs/dbraw/zinc/49/15/09/944491509.db2.gz HBCWMMXXAKNVGK-WMLDXEAASA-N 3 2 288.439 1.408 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131560411 260406946 /nfs/dbraw/zinc/40/69/46/260406946.db2.gz KZSWHXFOFLASEY-QGZVFWFLSA-N 2 2 293.455 1.935 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC001579637886 1172231808 /nfs/dbraw/zinc/23/18/08/1172231808.db2.gz GKYCMXHAKOVCOP-LBPRGKRZSA-N 2 2 283.803 1.429 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC001579637886 1172231814 /nfs/dbraw/zinc/23/18/14/1172231814.db2.gz GKYCMXHAKOVCOP-LBPRGKRZSA-N 2 2 283.803 1.429 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CC2=CCCOC2)cc1 ZINC000863642061 836194850 /nfs/dbraw/zinc/19/48/50/836194850.db2.gz PPJBIVQQMYWBOK-MRXNPFEDSA-N 2 2 275.396 1.689 20 10 CDCDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973007 836359175 /nfs/dbraw/zinc/35/91/75/836359175.db2.gz BAYOTWRREKIORA-ABAIWWIYSA-N 2 2 282.359 1.951 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817971490 836494550 /nfs/dbraw/zinc/49/45/50/836494550.db2.gz DOTVBHHCMJAQMB-IUCAKERBSA-N 2 2 252.314 1.177 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000843125236 837013889 /nfs/dbraw/zinc/01/38/89/837013889.db2.gz OOVPMDJWNLVCFM-UHFFFAOYSA-N 2 2 280.368 1.723 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000843125236 837013895 /nfs/dbraw/zinc/01/38/95/837013895.db2.gz OOVPMDJWNLVCFM-UHFFFAOYSA-N 2 2 280.368 1.723 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1ccc(OCC)cc1O ZINC000841047267 838938744 /nfs/dbraw/zinc/93/87/44/838938744.db2.gz YNJBSUNBMZFITP-UHFFFAOYSA-N 2 2 252.358 1.880 20 10 CDCDLP c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)CCCO2 ZINC000258890321 840892865 /nfs/dbraw/zinc/89/28/65/840892865.db2.gz KAGOSDFRIYCFGA-CQSZACIVSA-N 2 2 262.353 1.090 20 10 CDCDLP Nc1ccc(Nc2ccc([C@H](C[NH3+])CO)cc2)[nH+]c1 ZINC001163049443 939184870 /nfs/dbraw/zinc/18/48/70/939184870.db2.gz ATSKTKJUYIKZFT-LLVKDONJSA-N 2 2 258.325 1.442 20 10 CDCDLP C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001210496466 940694370 /nfs/dbraw/zinc/69/43/70/940694370.db2.gz HDWOCEBWQUACDJ-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001210496466 940694371 /nfs/dbraw/zinc/69/43/71/940694371.db2.gz HDWOCEBWQUACDJ-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)cc1O ZINC001235989714 944353494 /nfs/dbraw/zinc/35/34/94/944353494.db2.gz JOOGUNPWEGWNJZ-YGRLFVJLSA-N 2 2 264.325 1.030 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)cc1O ZINC001235989714 944353498 /nfs/dbraw/zinc/35/34/98/944353498.db2.gz JOOGUNPWEGWNJZ-YGRLFVJLSA-N 2 2 264.325 1.030 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC000038086958 174097724 /nfs/dbraw/zinc/09/77/24/174097724.db2.gz CJMXKKJPKNHKMU-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC000038086958 174097726 /nfs/dbraw/zinc/09/77/26/174097726.db2.gz CJMXKKJPKNHKMU-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP COCC[N@H+](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000061375916 523604225 /nfs/dbraw/zinc/60/42/25/523604225.db2.gz FGERIHQPNYSTKO-UHFFFAOYSA-N 2 2 268.357 1.069 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000061375916 523604234 /nfs/dbraw/zinc/60/42/34/523604234.db2.gz FGERIHQPNYSTKO-UHFFFAOYSA-N 2 2 268.357 1.069 20 10 CDCDLP C[NH2+]CCC[NH2+]Cc1cccc(Br)c1O ZINC000841042184 618677352 /nfs/dbraw/zinc/67/73/52/618677352.db2.gz MJRXCJVFCJTJHN-UHFFFAOYSA-N 2 2 273.174 1.854 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902413077 624818166 /nfs/dbraw/zinc/81/81/66/624818166.db2.gz HYVTZFLOTZFAFQ-SECBINFHSA-N 2 2 264.325 1.321 20 10 CDCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087780 628482446 /nfs/dbraw/zinc/48/24/46/628482446.db2.gz WNHKNZHLKBYVST-LLVKDONJSA-N 2 2 288.750 1.653 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779192950 844636528 /nfs/dbraw/zinc/63/65/28/844636528.db2.gz RHBGJSIWQLBMLN-LBPRGKRZSA-N 2 2 261.300 1.832 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1cccc(OCC)c1O ZINC000841047298 845232153 /nfs/dbraw/zinc/23/21/53/845232153.db2.gz ZKSSAQVGUOBHOI-UHFFFAOYSA-N 2 2 252.358 1.880 20 10 CDCDLP CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052473 845303126 /nfs/dbraw/zinc/30/31/26/845303126.db2.gz LYTSICHITSCJQE-CYBMUJFWSA-N 2 2 294.395 1.983 20 10 CDCDLP CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052473 845303137 /nfs/dbraw/zinc/30/31/37/845303137.db2.gz LYTSICHITSCJQE-CYBMUJFWSA-N 2 2 294.395 1.983 20 10 CDCDLP COc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1O ZINC000841087725 845315130 /nfs/dbraw/zinc/31/51/30/845315130.db2.gz VDRPWPYYYGFWJS-LBPRGKRZSA-N 2 2 250.342 1.631 20 10 CDCDLP Oc1cc2c(cc1C[NH2+][C@@H]1CCn3cc[nH+]c3C1)OCO2 ZINC000778187655 845406874 /nfs/dbraw/zinc/40/68/74/845406874.db2.gz CANPOMBDSYGDQT-LLVKDONJSA-N 2 2 287.319 1.422 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000313356420 845660314 /nfs/dbraw/zinc/66/03/14/845660314.db2.gz QMDAMWWOULFWPQ-SNVBAGLBSA-N 2 2 270.760 1.595 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000313356420 845660322 /nfs/dbraw/zinc/66/03/22/845660322.db2.gz QMDAMWWOULFWPQ-SNVBAGLBSA-N 2 2 270.760 1.595 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841080733 846076245 /nfs/dbraw/zinc/07/62/45/846076245.db2.gz YCJDMXILAUWKDZ-RYUDHWBXSA-N 2 2 268.332 1.581 20 10 CDCDLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045714 846652606 /nfs/dbraw/zinc/65/26/06/846652606.db2.gz OTJMIFVVWQPSAE-GLQYFDAESA-N 2 2 263.385 1.519 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843044996 846939501 /nfs/dbraw/zinc/93/95/01/846939501.db2.gz PFWYXRNTHUELNE-NSHDSACASA-N 2 2 252.333 1.963 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843044996 846939508 /nfs/dbraw/zinc/93/95/08/846939508.db2.gz PFWYXRNTHUELNE-NSHDSACASA-N 2 2 252.333 1.963 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842940 925445186 /nfs/dbraw/zinc/44/51/86/925445186.db2.gz QAXSSHGPNCIMNG-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842940 925445197 /nfs/dbraw/zinc/44/51/97/925445197.db2.gz QAXSSHGPNCIMNG-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP Oc1cccc(F)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497394 941602450 /nfs/dbraw/zinc/60/24/50/941602450.db2.gz HLDNSMXIVIIMKI-KBPBESRZSA-N 2 2 279.359 1.057 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236124382 944410637 /nfs/dbraw/zinc/41/06/37/944410637.db2.gz LWNOTTNGLUOXGT-AWEZNQCLSA-N 2 2 292.379 1.292 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236124382 944410639 /nfs/dbraw/zinc/41/06/39/944410639.db2.gz LWNOTTNGLUOXGT-AWEZNQCLSA-N 2 2 292.379 1.292 20 10 CDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246172261 948008140 /nfs/dbraw/zinc/00/81/40/948008140.db2.gz HHFFLFYWFJZWSH-GOEBONIOSA-N 3 2 288.439 1.326 20 10 CDCDLP Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)OCO2 ZINC000271159148 364951431 /nfs/dbraw/zinc/95/14/31/364951431.db2.gz CRHNTUALLBTRLK-CMPLNLGQSA-N 2 2 276.336 1.305 20 10 CDCDLP Oc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)OCO2 ZINC000271159148 364951437 /nfs/dbraw/zinc/95/14/37/364951437.db2.gz CRHNTUALLBTRLK-CMPLNLGQSA-N 2 2 276.336 1.305 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618240 525505896 /nfs/dbraw/zinc/50/58/96/525505896.db2.gz DDGDQEYVHYGYTN-YPMHNXCESA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618240 525505906 /nfs/dbraw/zinc/50/59/06/525505906.db2.gz DDGDQEYVHYGYTN-YPMHNXCESA-N 2 2 281.375 1.428 20 10 CDCDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771832500 575622885 /nfs/dbraw/zinc/62/28/85/575622885.db2.gz IEWBCWGXFLNCAK-MRXNPFEDSA-N 3 2 288.439 1.232 20 10 CDCDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771832500 575622887 /nfs/dbraw/zinc/62/28/87/575622887.db2.gz IEWBCWGXFLNCAK-MRXNPFEDSA-N 3 2 288.439 1.232 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841034353 621042526 /nfs/dbraw/zinc/04/25/26/621042526.db2.gz AADRQULGVQSLGX-MRXNPFEDSA-N 3 2 288.439 1.280 20 10 CDCDLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940012 698897823 /nfs/dbraw/zinc/89/78/23/698897823.db2.gz DUUHLBDKADPAPU-CXAGYDPISA-N 2 2 299.422 1.763 20 10 CDCDLP Oc1ccc(Br)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000220220295 698987214 /nfs/dbraw/zinc/98/72/14/698987214.db2.gz PPLJFYMCVZVDHQ-QWRGUYRKSA-N 2 2 297.196 1.806 20 10 CDCDLP COC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650058 704898714 /nfs/dbraw/zinc/89/87/14/704898714.db2.gz OOYUCGFRBFXVSF-UHFFFAOYSA-N 2 2 291.395 1.043 20 10 CDCDLP COC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650058 704898717 /nfs/dbraw/zinc/89/87/17/704898717.db2.gz OOYUCGFRBFXVSF-UHFFFAOYSA-N 2 2 291.395 1.043 20 10 CDCDLP COc1c(O)c(C[NH2+]CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000841030371 848186201 /nfs/dbraw/zinc/18/62/01/848186201.db2.gz GKWUOAUKARMGQU-UHFFFAOYSA-N 2 2 269.301 1.136 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000853249869 848214948 /nfs/dbraw/zinc/21/49/48/848214948.db2.gz XBSPHNTWGAOBDB-VIFPVBQESA-N 2 2 254.330 1.107 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841036593 848372638 /nfs/dbraw/zinc/37/26/38/848372638.db2.gz RRSYUDUSHYPWRF-JTQLQIEISA-N 2 2 281.312 1.151 20 10 CDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817895838 848617567 /nfs/dbraw/zinc/61/75/67/848617567.db2.gz WVIWSHHLLDLPOF-RHSMWYFYSA-N 2 2 289.423 1.753 20 10 CDCDLP COc1ccc(N(C)CC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000846225361 848756599 /nfs/dbraw/zinc/75/65/99/848756599.db2.gz NFZXQLQVPYWZCU-LBPRGKRZSA-N 2 2 251.374 1.410 20 10 CDCDLP COc1ccc(N(C)CC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000846225361 848756604 /nfs/dbraw/zinc/75/66/04/848756604.db2.gz NFZXQLQVPYWZCU-LBPRGKRZSA-N 2 2 251.374 1.410 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000817941778 849205294 /nfs/dbraw/zinc/20/52/94/849205294.db2.gz RMXOIAOOZCIGCP-MNOVXSKESA-N 2 2 250.342 1.803 20 10 CDCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)c(OC)c1 ZINC001275963598 932172419 /nfs/dbraw/zinc/17/24/19/932172419.db2.gz ZUVWTJNLXWVZLQ-YHWZYXNKSA-N 2 2 292.379 1.821 20 10 CDCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)c(OC)c1 ZINC001275963598 932172422 /nfs/dbraw/zinc/17/24/22/932172422.db2.gz ZUVWTJNLXWVZLQ-YHWZYXNKSA-N 2 2 292.379 1.821 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001232841190 943416899 /nfs/dbraw/zinc/41/68/99/943416899.db2.gz XGFYNHWAYGFBFR-XJKSGUPXSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001232841190 943416902 /nfs/dbraw/zinc/41/69/02/943416902.db2.gz XGFYNHWAYGFBFR-XJKSGUPXSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001232841190 943416904 /nfs/dbraw/zinc/41/69/04/943416904.db2.gz XGFYNHWAYGFBFR-XJKSGUPXSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001232841190 943416906 /nfs/dbraw/zinc/41/69/06/943416906.db2.gz XGFYNHWAYGFBFR-XJKSGUPXSA-N 2 2 289.423 1.984 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000070144835 1171644747 /nfs/dbraw/zinc/64/47/47/1171644747.db2.gz HBQFRNDCTDDWSA-MFKMUULPSA-N 2 2 250.342 1.570 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000070144835 1171644757 /nfs/dbraw/zinc/64/47/57/1171644757.db2.gz HBQFRNDCTDDWSA-MFKMUULPSA-N 2 2 250.342 1.570 20 10 CDCDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297704448 277103464 /nfs/dbraw/zinc/10/34/64/277103464.db2.gz MNNHOLIODUWJDY-KGLIPLIRSA-N 2 2 275.396 1.215 20 10 CDCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297704448 277103465 /nfs/dbraw/zinc/10/34/65/277103465.db2.gz MNNHOLIODUWJDY-KGLIPLIRSA-N 2 2 275.396 1.215 20 10 CDCDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000131410750 327162054 /nfs/dbraw/zinc/16/20/54/327162054.db2.gz ZELQUEKTQUUZHL-HNNXBMFYSA-N 2 2 264.369 1.024 20 10 CDCDLP CN(C)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000278493621 522178869 /nfs/dbraw/zinc/17/88/69/522178869.db2.gz JWZKHLKYLQGJTB-UHFFFAOYSA-N 2 2 299.422 1.808 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618132 523611778 /nfs/dbraw/zinc/61/17/78/523611778.db2.gz MBWQKLDCERATDH-LLVKDONJSA-N 2 2 270.348 1.760 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618132 523611764 /nfs/dbraw/zinc/61/17/64/523611764.db2.gz MBWQKLDCERATDH-LLVKDONJSA-N 2 2 270.348 1.760 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068800734 524770726 /nfs/dbraw/zinc/77/07/26/524770726.db2.gz VMARKXLLIVRCGL-QWHCGFSZSA-N 2 2 293.411 1.297 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800734 524770734 /nfs/dbraw/zinc/77/07/34/524770734.db2.gz VMARKXLLIVRCGL-QWHCGFSZSA-N 2 2 293.411 1.297 20 10 CDCDLP CCOc1ccc(C[NH2+]CC[N@H+](CC)CCO)c(O)c1 ZINC000768946771 576319223 /nfs/dbraw/zinc/31/92/23/576319223.db2.gz VPSUVYPSZGRURX-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP CCOc1ccc(C[NH2+]CC[N@@H+](CC)CCO)c(O)c1 ZINC000768946771 576319225 /nfs/dbraw/zinc/31/92/25/576319225.db2.gz VPSUVYPSZGRURX-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP Oc1cc2c(cc1C[NH2+]CCCCn1cc[nH+]c1)OCO2 ZINC000045106435 617589936 /nfs/dbraw/zinc/58/99/36/617589936.db2.gz DQYHLFWRYADGDP-UHFFFAOYSA-N 2 2 289.335 1.887 20 10 CDCDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000906508750 627296910 /nfs/dbraw/zinc/29/69/10/627296910.db2.gz YGNZKMFSTIJDRR-KYZUINATSA-N 2 2 271.158 1.734 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC001578424746 1171905318 /nfs/dbraw/zinc/90/53/18/1171905318.db2.gz UOTSBDGUIKRJLO-HNNXBMFYSA-N 2 2 286.379 1.643 20 10 CDCDLP Oc1c(Cl)cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000775746899 705860533 /nfs/dbraw/zinc/86/05/33/705860533.db2.gz HKIBIYJXKQVVAC-PHIMTYICSA-N 2 2 252.745 1.697 20 10 CDCDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000775746899 705860535 /nfs/dbraw/zinc/86/05/35/705860535.db2.gz HKIBIYJXKQVVAC-PHIMTYICSA-N 2 2 252.745 1.697 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000841098445 705876753 /nfs/dbraw/zinc/87/67/53/705876753.db2.gz DXRRCYMFFIAJBZ-INIZCTEOSA-N 2 2 277.412 1.611 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047759 706060716 /nfs/dbraw/zinc/06/07/16/706060716.db2.gz SMUFYKXAEUBFAA-SNVBAGLBSA-N 2 2 295.339 1.480 20 10 CDCDLP COc1c(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047759 706060721 /nfs/dbraw/zinc/06/07/21/706060721.db2.gz SMUFYKXAEUBFAA-SNVBAGLBSA-N 2 2 295.339 1.480 20 10 CDCDLP CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314516 706062645 /nfs/dbraw/zinc/06/26/45/706062645.db2.gz TWTVAOZDCWGNRK-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314516 706062654 /nfs/dbraw/zinc/06/26/54/706062654.db2.gz TWTVAOZDCWGNRK-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000817976797 709833120 /nfs/dbraw/zinc/83/31/20/709833120.db2.gz UIZQYVAGVBKTTC-SRVKXCTJSA-N 2 2 250.317 1.669 20 10 CDCDLP C[C@H]([NH2+]CC[NH3+])c1cc(Br)ccc1O ZINC000817934083 711601662 /nfs/dbraw/zinc/60/16/62/711601662.db2.gz BQNVRGXXZODQPY-ZETCQYMHSA-N 2 2 259.147 1.764 20 10 CDCDLP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C[NH+](C)C ZINC000708446183 711764088 /nfs/dbraw/zinc/76/40/88/711764088.db2.gz ZRQUDEGWOMFMRU-SECBINFHSA-N 2 2 258.312 1.958 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841036052 711819715 /nfs/dbraw/zinc/81/97/15/711819715.db2.gz NQTNYKKUQDRVEI-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001205868491 925756377 /nfs/dbraw/zinc/75/63/77/925756377.db2.gz GLGQXMPBVAFECU-PBHICJAKSA-N 2 2 289.423 1.692 20 10 CDCDLP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001205868491 925756382 /nfs/dbraw/zinc/75/63/82/925756382.db2.gz GLGQXMPBVAFECU-PBHICJAKSA-N 2 2 289.423 1.692 20 10 CDCDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232262858 943194219 /nfs/dbraw/zinc/19/42/19/943194219.db2.gz TYVRDOFMULGZOC-PHIMTYICSA-N 2 2 282.771 1.745 20 10 CDCDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232262858 943194224 /nfs/dbraw/zinc/19/42/24/943194224.db2.gz TYVRDOFMULGZOC-PHIMTYICSA-N 2 2 282.771 1.745 20 10 CDCDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232262858 943194229 /nfs/dbraw/zinc/19/42/29/943194229.db2.gz TYVRDOFMULGZOC-PHIMTYICSA-N 2 2 282.771 1.745 20 10 CDCDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232262858 943194232 /nfs/dbraw/zinc/19/42/32/943194232.db2.gz TYVRDOFMULGZOC-PHIMTYICSA-N 2 2 282.771 1.745 20 10 CDCDLP Oc1cc(O)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235123022 944063459 /nfs/dbraw/zinc/06/34/59/944063459.db2.gz XCTYSMODQUEPKQ-HNNXBMFYSA-N 2 2 278.352 1.521 20 10 CDCDLP Oc1cc(O)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235123022 944063462 /nfs/dbraw/zinc/06/34/62/944063462.db2.gz XCTYSMODQUEPKQ-HNNXBMFYSA-N 2 2 278.352 1.521 20 10 CDCDLP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001235971177 944336223 /nfs/dbraw/zinc/33/62/23/944336223.db2.gz RHMSVZSFWJSJQO-KRWDZBQOSA-N 3 2 288.439 1.280 20 10 CDCDLP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001235971177 944336232 /nfs/dbraw/zinc/33/62/32/944336232.db2.gz RHMSVZSFWJSJQO-KRWDZBQOSA-N 3 2 288.439 1.280 20 10 CDCDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046892 944390464 /nfs/dbraw/zinc/39/04/64/944390464.db2.gz JJCLWRZYGDGWOD-GDBMZVCRSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046892 944390472 /nfs/dbraw/zinc/39/04/72/944390472.db2.gz JJCLWRZYGDGWOD-GDBMZVCRSA-N 3 2 288.439 1.265 20 10 CDCDLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(O)c1OC ZINC001355237543 969095871 /nfs/dbraw/zinc/09/58/71/969095871.db2.gz HZJJFPHWAFLNRK-UHFFFAOYSA-N 2 2 291.351 1.786 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271156378 364948840 /nfs/dbraw/zinc/94/88/40/364948840.db2.gz BQOGRIRMAADDLW-SWLSCSKDSA-N 2 2 276.380 1.975 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271156378 364948846 /nfs/dbraw/zinc/94/88/46/364948846.db2.gz BQOGRIRMAADDLW-SWLSCSKDSA-N 2 2 276.380 1.975 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219788926 333157005 /nfs/dbraw/zinc/15/70/05/333157005.db2.gz JWURRENJTWFOIL-GOEBONIOSA-N 2 2 259.397 1.936 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219788926 333157007 /nfs/dbraw/zinc/15/70/07/333157007.db2.gz JWURRENJTWFOIL-GOEBONIOSA-N 2 2 259.397 1.936 20 10 CDCDLP C[N@H+](Cc1ncc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000894586766 618976802 /nfs/dbraw/zinc/97/68/02/618976802.db2.gz VJTHCBJWFSWTLQ-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP C[N@@H+](Cc1ncc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000894586766 618976804 /nfs/dbraw/zinc/97/68/04/618976804.db2.gz VJTHCBJWFSWTLQ-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP Oc1ccc(Br)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000220220219 712073094 /nfs/dbraw/zinc/07/30/94/712073094.db2.gz PPLJFYMCVZVDHQ-GHMZBOCLSA-N 2 2 297.196 1.806 20 10 CDCDLP [NH3+]C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000841027436 712426074 /nfs/dbraw/zinc/42/60/74/712426074.db2.gz BAWPSASUZCKWBH-NSHDSACASA-N 2 2 285.185 1.982 20 10 CDCDLP COc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000037157906 910111321 /nfs/dbraw/zinc/11/13/21/910111321.db2.gz AAYJTSLNUSFYSL-LLVKDONJSA-N 2 2 261.325 1.776 20 10 CDCDLP CC[NH+]1C[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841687 936420401 /nfs/dbraw/zinc/42/04/01/936420401.db2.gz PYZFHWKOQPSBJV-RYUDHWBXSA-N 2 2 264.344 1.915 20 10 CDCDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044264 937105669 /nfs/dbraw/zinc/10/56/69/937105669.db2.gz ZPEFHCYLGOLOJC-HNNXBMFYSA-N 2 2 275.396 1.446 20 10 CDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044264 937105672 /nfs/dbraw/zinc/10/56/72/937105672.db2.gz ZPEFHCYLGOLOJC-HNNXBMFYSA-N 2 2 275.396 1.446 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000843056671 937108226 /nfs/dbraw/zinc/10/82/26/937108226.db2.gz UZAPJJGTDVSXGY-XJKSGUPXSA-N 2 2 277.412 1.609 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000843056671 937108233 /nfs/dbraw/zinc/10/82/33/937108233.db2.gz UZAPJJGTDVSXGY-XJKSGUPXSA-N 2 2 277.412 1.609 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000843120897 937113977 /nfs/dbraw/zinc/11/39/77/937113977.db2.gz XMBGNFXCLJOJRL-CQSZACIVSA-N 2 2 263.385 1.084 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000843120897 937113978 /nfs/dbraw/zinc/11/39/78/937113978.db2.gz XMBGNFXCLJOJRL-CQSZACIVSA-N 2 2 263.385 1.084 20 10 CDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000817983005 930658060 /nfs/dbraw/zinc/65/80/60/930658060.db2.gz JKZUBDMPVPUDCP-PWSUYJOCSA-N 2 2 284.787 1.993 20 10 CDCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204274150 939750531 /nfs/dbraw/zinc/75/05/31/939750531.db2.gz KAYKDTYKWBYPRW-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204274150 939750535 /nfs/dbraw/zinc/75/05/35/939750535.db2.gz KAYKDTYKWBYPRW-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204274150 939750538 /nfs/dbraw/zinc/75/05/38/939750538.db2.gz KAYKDTYKWBYPRW-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204274150 939750540 /nfs/dbraw/zinc/75/05/40/939750540.db2.gz KAYKDTYKWBYPRW-XJKSGUPXSA-N 2 2 292.379 1.250 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182627 939993526 /nfs/dbraw/zinc/99/35/26/939993526.db2.gz CKQGAECQPUXIJK-BXKDBHETSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182627 939993530 /nfs/dbraw/zinc/99/35/30/939993530.db2.gz CKQGAECQPUXIJK-BXKDBHETSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC001219923501 941396963 /nfs/dbraw/zinc/39/69/63/941396963.db2.gz PENWAUADEYBQIV-AWEZNQCLSA-N 2 2 285.347 1.281 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000226607667 333266087 /nfs/dbraw/zinc/26/60/87/333266087.db2.gz OOWAKBVNYSEMQF-ZIAGYGMSSA-N 2 2 280.343 1.484 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000226607667 333266089 /nfs/dbraw/zinc/26/60/89/333266089.db2.gz OOWAKBVNYSEMQF-ZIAGYGMSSA-N 2 2 280.343 1.484 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1C ZINC000068801817 524072269 /nfs/dbraw/zinc/07/22/69/524072269.db2.gz OOZNREODAGRRSX-HNNXBMFYSA-N 2 2 277.412 1.339 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000068801817 524072271 /nfs/dbraw/zinc/07/22/71/524072271.db2.gz OOZNREODAGRRSX-HNNXBMFYSA-N 2 2 277.412 1.339 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786892 576671770 /nfs/dbraw/zinc/67/17/70/576671770.db2.gz LOTUVXLAHPINMI-HZMBPMFUSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786892 576671771 /nfs/dbraw/zinc/67/17/71/576671771.db2.gz LOTUVXLAHPINMI-HZMBPMFUSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2c1c(F)ccc2O ZINC000756552223 576995126 /nfs/dbraw/zinc/99/51/26/576995126.db2.gz DCVTZKMJSRBXHG-JFGNBEQYSA-N 2 2 282.359 1.592 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000312687370 913206157 /nfs/dbraw/zinc/20/61/57/913206157.db2.gz PZYJXJOMJLLUQX-OAHLLOKOSA-N 2 2 280.343 1.905 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344136 900382019 /nfs/dbraw/zinc/38/20/19/900382019.db2.gz CJMLQTXLUHNSQQ-LBPRGKRZSA-N 2 2 270.760 1.595 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344136 900382028 /nfs/dbraw/zinc/38/20/28/900382028.db2.gz CJMLQTXLUHNSQQ-LBPRGKRZSA-N 2 2 270.760 1.595 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1C ZINC000258963433 901028598 /nfs/dbraw/zinc/02/85/98/901028598.db2.gz SAQJLDFLZZKAOP-CYBMUJFWSA-N 2 2 250.342 1.082 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841028028 906858446 /nfs/dbraw/zinc/85/84/46/906858446.db2.gz JOWADMWXPJHPSZ-NSHDSACASA-N 2 2 270.760 1.881 20 10 CDCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000702602540 922578455 /nfs/dbraw/zinc/57/84/55/922578455.db2.gz IKCHQWSZJGTXDM-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000702602540 922578465 /nfs/dbraw/zinc/57/84/65/922578465.db2.gz IKCHQWSZJGTXDM-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC001203874201 925107606 /nfs/dbraw/zinc/10/76/06/925107606.db2.gz STNUZLWBWPWVEE-UHFFFAOYSA-N 2 2 285.347 1.815 20 10 CDCDLP COc1c(O)c(C[N@H+](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000843050129 937106827 /nfs/dbraw/zinc/10/68/27/937106827.db2.gz DJVQSJIVPBAAHW-UHFFFAOYSA-N 2 2 269.301 1.090 20 10 CDCDLP COc1c(O)c(C[N@@H+](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000843050129 937106830 /nfs/dbraw/zinc/10/68/30/937106830.db2.gz DJVQSJIVPBAAHW-UHFFFAOYSA-N 2 2 269.301 1.090 20 10 CDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133463250 930385598 /nfs/dbraw/zinc/38/55/98/930385598.db2.gz CWVRVQKUUCOCOW-HIFRSBDPSA-N 2 2 277.412 1.609 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817896937 930621483 /nfs/dbraw/zinc/62/14/83/930621483.db2.gz ZMWBXGMGTLYLOY-SJORKVTESA-N 2 2 289.423 1.609 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817981463 930655539 /nfs/dbraw/zinc/65/55/39/930655539.db2.gz KOMOQWGRFBBURV-CMPLNLGQSA-N 2 2 268.332 1.560 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2c1c(F)ccc2O ZINC000817984169 930658567 /nfs/dbraw/zinc/65/85/67/930658567.db2.gz VQYLDTYLKMEVSN-SCVCMEIPSA-N 2 2 280.343 1.658 20 10 CDCDLP c1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc2c1OCC2 ZINC000925560766 932905231 /nfs/dbraw/zinc/90/52/31/932905231.db2.gz XRUXKLSPRJEWGM-IUKJFTNHSA-N 2 2 270.376 1.708 20 10 CDCDLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899890 944312142 /nfs/dbraw/zinc/31/21/42/944312142.db2.gz BAPCVBFIXFFOGX-ZBFHGGJFSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899890 944312149 /nfs/dbraw/zinc/31/21/49/944312149.db2.gz BAPCVBFIXFFOGX-ZBFHGGJFSA-N 3 2 288.439 1.408 20 10 CDCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336116950 960210862 /nfs/dbraw/zinc/21/08/62/960210862.db2.gz IREBZPACDGNLCT-UHFFFAOYSA-N 2 2 277.412 1.547 20 10 CDCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336116950 960210868 /nfs/dbraw/zinc/21/08/68/960210868.db2.gz IREBZPACDGNLCT-UHFFFAOYSA-N 2 2 277.412 1.547 20 10 CDCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768946142 576318915 /nfs/dbraw/zinc/31/89/15/576318915.db2.gz RIJJWBOBRSYJGQ-UHFFFAOYSA-N 2 2 283.391 1.296 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768946142 576318916 /nfs/dbraw/zinc/31/89/16/576318916.db2.gz RIJJWBOBRSYJGQ-UHFFFAOYSA-N 2 2 283.391 1.296 20 10 CDCDLP C[C@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1O ZINC000841051040 621597903 /nfs/dbraw/zinc/59/79/03/621597903.db2.gz MWOVRYPHJNBPIT-MRVPVSSYSA-N 2 2 273.174 1.982 20 10 CDCDLP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001206043503 1162311611 /nfs/dbraw/zinc/31/16/11/1162311611.db2.gz IIBJBVGFDPTOTR-RHSMWYFYSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001206043503 1162311614 /nfs/dbraw/zinc/31/16/14/1162311614.db2.gz IIBJBVGFDPTOTR-RHSMWYFYSA-N 3 2 288.439 1.265 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001203599180 939695240 /nfs/dbraw/zinc/69/52/40/939695240.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001203599180 939695241 /nfs/dbraw/zinc/69/52/41/939695241.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001203599180 939695242 /nfs/dbraw/zinc/69/52/42/939695242.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001203599180 939695243 /nfs/dbraw/zinc/69/52/43/939695243.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 2 2 276.380 1.927 20 10 CDCDLP CN(C)c1cc(F)c(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC001578423024 1171906065 /nfs/dbraw/zinc/90/60/65/1171906065.db2.gz MYUSDYAOIHEOKM-UHFFFAOYSA-N 2 2 257.328 1.858 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000158135472 392422573 /nfs/dbraw/zinc/42/25/73/392422573.db2.gz FONGDJPMYXISOB-CHWSQXEVSA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000158135472 392422579 /nfs/dbraw/zinc/42/25/79/392422579.db2.gz FONGDJPMYXISOB-CHWSQXEVSA-N 2 2 296.798 1.998 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000841037606 621312400 /nfs/dbraw/zinc/31/24/00/621312400.db2.gz BCPIWOJEGNIRFC-LLVKDONJSA-N 2 2 297.355 1.772 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000841028030 677764620 /nfs/dbraw/zinc/76/46/20/677764620.db2.gz JRQRXFISXPYJMZ-SNVBAGLBSA-N 2 2 281.312 1.136 20 10 CDCDLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939341 677826077 /nfs/dbraw/zinc/82/60/77/677826077.db2.gz BBWLIELJNBHSMN-YWPYICTPSA-N 2 2 265.401 1.765 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000796936123 678182199 /nfs/dbraw/zinc/18/21/99/678182199.db2.gz DSRVMCVTWIXOSM-HIFRSBDPSA-N 2 2 282.359 1.639 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000796936123 678182205 /nfs/dbraw/zinc/18/22/05/678182205.db2.gz DSRVMCVTWIXOSM-HIFRSBDPSA-N 2 2 282.359 1.639 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970131 678899307 /nfs/dbraw/zinc/89/93/07/678899307.db2.gz MFTOTLTXEMLUPW-IUCAKERBSA-N 2 2 252.314 1.177 20 10 CDCDLP COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000228667891 679631199 /nfs/dbraw/zinc/63/11/99/679631199.db2.gz WBZAGMAMXTZQFL-QWRGUYRKSA-N 2 2 282.771 1.705 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cccc1F ZINC001137838835 923043081 /nfs/dbraw/zinc/04/30/81/923043081.db2.gz LGQYBJSUGHEQEU-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cccc1F ZINC001137838835 923043097 /nfs/dbraw/zinc/04/30/97/923043097.db2.gz LGQYBJSUGHEQEU-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801750 390388356 /nfs/dbraw/zinc/38/83/56/390388356.db2.gz RSIGQQIYGCUPFT-WMLDXEAASA-N 2 2 290.455 1.649 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801750 390388358 /nfs/dbraw/zinc/38/83/58/390388358.db2.gz RSIGQQIYGCUPFT-WMLDXEAASA-N 2 2 290.455 1.649 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1F ZINC000131525002 390928349 /nfs/dbraw/zinc/92/83/49/390928349.db2.gz FKLZACSJNLJMKJ-OAHLLOKOSA-N 2 2 283.391 1.294 20 10 CDCDLP Oc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000179569355 391212086 /nfs/dbraw/zinc/21/20/86/391212086.db2.gz HSXXMFGHBBZUNV-OAHLLOKOSA-N 2 2 290.407 1.936 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662441 260266186 /nfs/dbraw/zinc/26/61/86/260266186.db2.gz CAPDFOSQWUAFLH-UKRRQHHQSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091662441 260266188 /nfs/dbraw/zinc/26/61/88/260266188.db2.gz CAPDFOSQWUAFLH-UKRRQHHQSA-N 2 2 292.379 1.354 20 10 CDCDLP C[C@@H]1C[C@H](C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841044499 618678340 /nfs/dbraw/zinc/67/83/40/618678340.db2.gz ZBWXJURWOONIOP-CKEIUWERSA-N 3 2 290.455 1.730 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841100860 618682547 /nfs/dbraw/zinc/68/25/47/618682547.db2.gz MJBPGHMJRZLFQW-OAHLLOKOSA-N 2 2 263.385 1.139 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817971492 679780626 /nfs/dbraw/zinc/78/06/26/679780626.db2.gz DOTVBHHCMJAQMB-RKDXNWHRSA-N 2 2 252.314 1.177 20 10 CDCDLP COc1c(O)c(C[NH2+]CC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000841048071 681532582 /nfs/dbraw/zinc/53/25/82/681532582.db2.gz GPIFDXVPUYKDIX-UHFFFAOYSA-N 2 2 281.312 1.280 20 10 CDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483426 681813159 /nfs/dbraw/zinc/81/31/59/681813159.db2.gz AUOKKLFXVZVAAS-GDBMZVCRSA-N 2 2 289.423 1.753 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000817983257 683646826 /nfs/dbraw/zinc/64/68/26/683646826.db2.gz LGISCAKTCMCQPL-NWDGAFQWSA-N 2 2 250.342 1.340 20 10 CDCDLP Cc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000305771434 683870286 /nfs/dbraw/zinc/87/02/86/683870286.db2.gz KJLYWKSVCGYNTI-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP Cc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000305771434 683870287 /nfs/dbraw/zinc/87/02/87/683870287.db2.gz KJLYWKSVCGYNTI-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP [NH3+]C[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048249 683974383 /nfs/dbraw/zinc/97/43/83/683974383.db2.gz GDZZICFAMIQGNG-MRVPVSSYSA-N 2 2 258.724 1.965 20 10 CDCDLP [NH3+]C[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048249 683974392 /nfs/dbraw/zinc/97/43/92/683974392.db2.gz GDZZICFAMIQGNG-MRVPVSSYSA-N 2 2 258.724 1.965 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cccc1Cl ZINC001140341339 936703628 /nfs/dbraw/zinc/70/36/28/936703628.db2.gz IGJHJVKSNLCXLS-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cccc1Cl ZINC001140341339 936703629 /nfs/dbraw/zinc/70/36/29/936703629.db2.gz IGJHJVKSNLCXLS-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205831175 925369333 /nfs/dbraw/zinc/36/93/33/925369333.db2.gz WUGPZCIOAVVIGP-CMPLNLGQSA-N 2 2 250.342 1.657 20 10 CDCDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205831175 925369342 /nfs/dbraw/zinc/36/93/42/925369342.db2.gz WUGPZCIOAVVIGP-CMPLNLGQSA-N 2 2 250.342 1.657 20 10 CDCDLP CCOc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206711281 939584872 /nfs/dbraw/zinc/58/48/72/939584872.db2.gz HQKLAHNSQXYVOL-UHFFFAOYSA-N 2 2 250.342 1.572 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981373 944344873 /nfs/dbraw/zinc/34/48/73/944344873.db2.gz QFGOTTPDZBABEY-WBVHZDCISA-N 2 2 271.408 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981373 944344884 /nfs/dbraw/zinc/34/48/84/944344884.db2.gz QFGOTTPDZBABEY-WBVHZDCISA-N 2 2 271.408 1.992 20 10 CDCDLP COc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1O ZINC001579144256 1172105265 /nfs/dbraw/zinc/10/52/65/1172105265.db2.gz ALOZFYBZIFIAAK-ZDUSSCGKSA-N 2 2 264.369 1.797 20 10 CDCDLP Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000179580071 391213251 /nfs/dbraw/zinc/21/32/51/391213251.db2.gz DJDUVHJZLRUMMG-AWEZNQCLSA-N 2 2 276.380 1.546 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1O ZINC000041027804 621614656 /nfs/dbraw/zinc/61/46/56/621614656.db2.gz QVBDFTZBRUMVHH-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1O ZINC000041027804 621614659 /nfs/dbraw/zinc/61/46/59/621614659.db2.gz QVBDFTZBRUMVHH-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccn(C)c2)cc1 ZINC000863641431 684359156 /nfs/dbraw/zinc/35/91/56/684359156.db2.gz BYFQOBVCSFVAFN-INIZCTEOSA-N 2 2 272.396 1.881 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000702652493 685163822 /nfs/dbraw/zinc/16/38/22/685163822.db2.gz LISNYEKQHCAJRX-IINYFYTJSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000702652493 685163830 /nfs/dbraw/zinc/16/38/30/685163830.db2.gz LISNYEKQHCAJRX-IINYFYTJSA-N 2 2 268.332 1.249 20 10 CDCDLP COC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943287 686742339 /nfs/dbraw/zinc/74/23/39/686742339.db2.gz UAAQAAAWMZCITK-HOTGVXAUSA-N 2 2 277.412 1.767 20 10 CDCDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078557 686814114 /nfs/dbraw/zinc/81/41/14/686814114.db2.gz UWALGMIEYVDVHP-JZYVYDRUSA-N 2 2 256.708 1.492 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC34COC4)cc2)CC1 ZINC001139408875 936618185 /nfs/dbraw/zinc/61/81/85/936618185.db2.gz GJBJFXXQTCWEIW-UHFFFAOYSA-N 2 2 287.407 1.413 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34COC4)cc2)CC1 ZINC001139408875 936618186 /nfs/dbraw/zinc/61/81/86/936618186.db2.gz GJBJFXXQTCWEIW-UHFFFAOYSA-N 2 2 287.407 1.413 20 10 CDCDLP [NH3+][C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205117817 939824567 /nfs/dbraw/zinc/82/45/67/939824567.db2.gz WEPQTIVVSHGBSS-SECBINFHSA-N 2 2 256.296 1.984 20 10 CDCDLP [NH3+][C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205117817 939824569 /nfs/dbraw/zinc/82/45/69/939824569.db2.gz WEPQTIVVSHGBSS-SECBINFHSA-N 2 2 256.296 1.984 20 10 CDCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001331835580 957289845 /nfs/dbraw/zinc/28/98/45/957289845.db2.gz RIBGSHBEUZESPV-JHJVBQTASA-N 2 2 276.380 1.827 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405889 365492230 /nfs/dbraw/zinc/49/22/30/365492230.db2.gz OJWPFFJYTBWPHU-YPMHNXCESA-N 2 2 282.359 1.639 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000061375874 523610748 /nfs/dbraw/zinc/61/07/48/523610748.db2.gz SREQXLWGCSNNMX-CYBMUJFWSA-N 2 2 266.385 1.929 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000061375874 523610757 /nfs/dbraw/zinc/61/07/57/523610757.db2.gz SREQXLWGCSNNMX-CYBMUJFWSA-N 2 2 266.385 1.929 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000068800523 525727087 /nfs/dbraw/zinc/72/70/87/525727087.db2.gz KPPGIUKOZPLNFD-ZIAGYGMSSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000068800523 525727098 /nfs/dbraw/zinc/72/70/98/525727098.db2.gz KPPGIUKOZPLNFD-ZIAGYGMSSA-N 2 2 277.412 1.597 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000841067576 618680094 /nfs/dbraw/zinc/68/00/94/618680094.db2.gz NHFWGZYOLIPDHY-INIZCTEOSA-N 2 2 295.402 1.750 20 10 CDCDLP CC[C@@H](COC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046160 621589746 /nfs/dbraw/zinc/58/97/46/621589746.db2.gz XEJUNLUIWXTUBC-DZGCQCFKSA-N 2 2 265.401 1.767 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841098886 630568738 /nfs/dbraw/zinc/56/87/38/630568738.db2.gz JXSDAWCPIXPLFR-LLVKDONJSA-N 2 2 256.733 1.124 20 10 CDCDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649120 688319180 /nfs/dbraw/zinc/31/91/80/688319180.db2.gz ISKDJPVHMMBDLT-NEPJUHHUSA-N 2 2 252.358 1.355 20 10 CDCDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649120 688319184 /nfs/dbraw/zinc/31/91/84/688319184.db2.gz ISKDJPVHMMBDLT-NEPJUHHUSA-N 2 2 252.358 1.355 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000857226524 688329144 /nfs/dbraw/zinc/32/91/44/688329144.db2.gz QMLAUKBYTOTMEK-WBMJQRKESA-N 2 2 292.379 1.723 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000857226524 688329151 /nfs/dbraw/zinc/32/91/51/688329151.db2.gz QMLAUKBYTOTMEK-WBMJQRKESA-N 2 2 292.379 1.723 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c(O)c1 ZINC000843055248 694262267 /nfs/dbraw/zinc/26/22/67/694262267.db2.gz HQJQMDWHGUPQML-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c(O)c1 ZINC000843055248 694262290 /nfs/dbraw/zinc/26/22/90/694262290.db2.gz HQJQMDWHGUPQML-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127495 692232272 /nfs/dbraw/zinc/23/22/72/692232272.db2.gz RRFQFIXYBNAJFS-MFKMUULPSA-N 2 2 250.317 1.715 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127495 692232275 /nfs/dbraw/zinc/23/22/75/692232275.db2.gz RRFQFIXYBNAJFS-MFKMUULPSA-N 2 2 250.317 1.715 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1 ZINC000717355853 694721027 /nfs/dbraw/zinc/72/10/27/694721027.db2.gz XALNTWXVPWQRDB-NEPJUHHUSA-N 2 2 252.358 1.274 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362686 723385798 /nfs/dbraw/zinc/38/57/98/723385798.db2.gz NPFXUSHNUFQARO-ONGXEEELSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362686 723385805 /nfs/dbraw/zinc/38/58/05/723385805.db2.gz NPFXUSHNUFQARO-ONGXEEELSA-N 2 2 280.343 1.903 20 10 CDCDLP Cn1c[nH+]cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700922122 922302350 /nfs/dbraw/zinc/30/23/50/922302350.db2.gz BFZPGWHVANFJKW-UHFFFAOYSA-N 2 2 256.353 1.832 20 10 CDCDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483429 929557687 /nfs/dbraw/zinc/55/76/87/929557687.db2.gz AUOKKLFXVZVAAS-ZBFHGGJFSA-N 2 2 289.423 1.753 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982051 930658845 /nfs/dbraw/zinc/65/88/45/930658845.db2.gz BFZTVXBQWXZLJL-MWLCHTKSSA-N 2 2 270.760 1.685 20 10 CDCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692493 /nfs/dbraw/zinc/69/24/93/939692493.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 2 276.380 1.545 20 10 CDCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692496 /nfs/dbraw/zinc/69/24/96/939692496.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 2 276.380 1.545 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692497 /nfs/dbraw/zinc/69/24/97/939692497.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 2 276.380 1.545 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692498 /nfs/dbraw/zinc/69/24/98/939692498.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 2 276.380 1.545 20 10 CDCDLP FC1(F)C[NH2+]C[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218276060 941050142 /nfs/dbraw/zinc/05/01/42/941050142.db2.gz ABAODNKLJNAUQB-CQSZACIVSA-N 2 2 297.349 1.472 20 10 CDCDLP Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234991062 943999782 /nfs/dbraw/zinc/99/97/82/943999782.db2.gz PIJZCNLZLIVBPB-CQSZACIVSA-N 2 2 299.777 1.322 20 10 CDCDLP Oc1cc(O)c(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1O ZINC001254839566 947616997 /nfs/dbraw/zinc/61/69/97/947616997.db2.gz SQWSBYKHWRQBSL-ZDUSSCGKSA-N 2 2 292.379 1.420 20 10 CDCDLP C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210160 948029470 /nfs/dbraw/zinc/02/94/70/948029470.db2.gz CGDGRAIUQBQSHP-GXSJLCMTSA-N 2 2 266.341 1.076 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520331 368637251 /nfs/dbraw/zinc/63/72/51/368637251.db2.gz BDGVFUCQIPMWQC-UKRRQHHQSA-N 2 2 295.402 1.818 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520331 368637256 /nfs/dbraw/zinc/63/72/56/368637256.db2.gz BDGVFUCQIPMWQC-UKRRQHHQSA-N 2 2 295.402 1.818 20 10 CDCDLP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1O ZINC000841051043 621597741 /nfs/dbraw/zinc/59/77/41/621597741.db2.gz MWOVRYPHJNBPIT-QMMMGPOBSA-N 2 2 273.174 1.982 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000841087428 695191039 /nfs/dbraw/zinc/19/10/39/695191039.db2.gz OFIRNNWEGFVPRA-NSHDSACASA-N 2 2 297.355 1.772 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000817982527 695263730 /nfs/dbraw/zinc/26/37/30/695263730.db2.gz DUHKMIMRXAONCC-QWHCGFSZSA-N 2 2 264.369 1.648 20 10 CDCDLP CC(=O)c1cc(F)cc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000843368085 695679386 /nfs/dbraw/zinc/67/93/86/695679386.db2.gz ORWKTAWXJPUDLS-UHFFFAOYSA-N 2 2 266.316 1.705 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000817983258 723731750 /nfs/dbraw/zinc/73/17/50/723731750.db2.gz LGISCAKTCMCQPL-RYUDHWBXSA-N 2 2 250.342 1.340 20 10 CDCDLP Oc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848526372 724522598 /nfs/dbraw/zinc/52/25/98/724522598.db2.gz YAPVZNCATZLGIG-OAHLLOKOSA-N 2 2 276.380 1.735 20 10 CDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902402 724736476 /nfs/dbraw/zinc/73/64/76/724736476.db2.gz PSAJFGDHOCQEQZ-DOMZBBRYSA-N 2 2 276.380 1.478 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000817943314 723782226 /nfs/dbraw/zinc/78/22/26/723782226.db2.gz UHBHWXOGBUISCX-MAZHCROVSA-N 2 2 277.412 1.910 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000843043871 725181627 /nfs/dbraw/zinc/18/16/27/725181627.db2.gz NLMAAFDJHIBOGH-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000843043871 725181634 /nfs/dbraw/zinc/18/16/34/725181634.db2.gz NLMAAFDJHIBOGH-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(F)ccc1O ZINC000817984173 725385714 /nfs/dbraw/zinc/38/57/14/725385714.db2.gz VRSXNSNVKIMKKC-ONGXEEELSA-N 2 2 254.305 1.170 20 10 CDCDLP c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)CCCO2 ZINC000258890317 725540456 /nfs/dbraw/zinc/54/04/56/725540456.db2.gz KAGOSDFRIYCFGA-AWEZNQCLSA-N 2 2 262.353 1.090 20 10 CDCDLP Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120699 726008150 /nfs/dbraw/zinc/00/81/50/726008150.db2.gz BQBOFKOTQNYLKM-ZDUSSCGKSA-N 2 2 295.814 1.525 20 10 CDCDLP Oc1c(Cl)cccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120699 726008151 /nfs/dbraw/zinc/00/81/51/726008151.db2.gz BQBOFKOTQNYLKM-ZDUSSCGKSA-N 2 2 295.814 1.525 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200640 912566559 /nfs/dbraw/zinc/56/65/59/912566559.db2.gz SIRJQFNNCRJIML-MWLCHTKSSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200640 912566569 /nfs/dbraw/zinc/56/65/69/912566569.db2.gz SIRJQFNNCRJIML-MWLCHTKSSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001206163297 911542177 /nfs/dbraw/zinc/54/21/77/911542177.db2.gz BKYJJIYBQUHALP-PWSUYJOCSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001206163297 911542182 /nfs/dbraw/zinc/54/21/82/911542182.db2.gz BKYJJIYBQUHALP-PWSUYJOCSA-N 2 2 256.296 1.793 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205806929 925169663 /nfs/dbraw/zinc/16/96/63/925169663.db2.gz WPFBDICLZQNVPQ-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205806929 925169667 /nfs/dbraw/zinc/16/96/67/925169667.db2.gz WPFBDICLZQNVPQ-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP C[N@@H+]1CCc2ncnc(N3C[C@@H]([NH3+])Cc4ccccc43)c2C1 ZINC001162847227 939151475 /nfs/dbraw/zinc/15/14/75/939151475.db2.gz KONBENDKOJVDIO-ZDUSSCGKSA-N 2 2 295.390 1.486 20 10 CDCDLP C[N@H+]1CCc2ncnc(N3C[C@@H]([NH3+])Cc4ccccc43)c2C1 ZINC001162847227 939151476 /nfs/dbraw/zinc/15/14/76/939151476.db2.gz KONBENDKOJVDIO-ZDUSSCGKSA-N 2 2 295.390 1.486 20 10 CDCDLP COc1cc(C[NH+]2CCOCC2)ccc1N1CC[C@@H]([NH3+])C1 ZINC001164289199 939447562 /nfs/dbraw/zinc/44/75/62/939447562.db2.gz VWBKGIAHPZBEFE-CQSZACIVSA-N 2 2 291.395 1.065 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377621039 329020982 /nfs/dbraw/zinc/02/09/82/329020982.db2.gz GFJPYEFZUCICFA-UHFFFAOYSA-N 2 2 262.353 1.681 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377621039 329020983 /nfs/dbraw/zinc/02/09/83/329020983.db2.gz GFJPYEFZUCICFA-UHFFFAOYSA-N 2 2 262.353 1.681 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742375019 576598500 /nfs/dbraw/zinc/59/85/00/576598500.db2.gz KUHPGLPMUBVXQN-VXGBXAGGSA-N 2 2 264.369 1.973 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742375019 576598502 /nfs/dbraw/zinc/59/85/02/576598502.db2.gz KUHPGLPMUBVXQN-VXGBXAGGSA-N 2 2 264.369 1.973 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000756492020 576992005 /nfs/dbraw/zinc/99/20/05/576992005.db2.gz YTTZQGOAZDFPDQ-CYBMUJFWSA-N 2 2 291.395 1.125 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]CC2([NH3+])CC2)c1O ZINC000904449022 626300131 /nfs/dbraw/zinc/30/01/31/626300131.db2.gz DEMXGVMPCWIWBY-UHFFFAOYSA-N 2 2 256.733 1.635 20 10 CDCDLP COc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(O)c1 ZINC001579144440 1172105228 /nfs/dbraw/zinc/10/52/28/1172105228.db2.gz GLDMUAVQMVMGTR-SWHYSGLUSA-N 2 2 262.353 1.692 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccn(C)c2)cc1 ZINC000863641432 727447740 /nfs/dbraw/zinc/44/77/40/727447740.db2.gz BYFQOBVCSFVAFN-MRXNPFEDSA-N 2 2 272.396 1.881 20 10 CDCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)[NH3+] ZINC000849349700 727939415 /nfs/dbraw/zinc/93/94/15/727939415.db2.gz FGYRRHXBBIDIFU-UHFFFAOYSA-N 3 2 290.455 1.608 20 10 CDCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)[NH3+] ZINC000849349700 727939418 /nfs/dbraw/zinc/93/94/18/727939418.db2.gz FGYRRHXBBIDIFU-UHFFFAOYSA-N 3 2 290.455 1.608 20 10 CDCDLP COc1cc(Cl)cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000252841630 935078975 /nfs/dbraw/zinc/07/89/75/935078975.db2.gz DIJZQZYJPLADPQ-GFCCVEGCSA-N 2 2 299.802 1.129 20 10 CDCDLP COc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000252841630 935078980 /nfs/dbraw/zinc/07/89/80/935078980.db2.gz DIJZQZYJPLADPQ-GFCCVEGCSA-N 2 2 299.802 1.129 20 10 CDCDLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001205240681 939841276 /nfs/dbraw/zinc/84/12/76/939841276.db2.gz MTZGQBHVJIMWQF-AWEZNQCLSA-N 2 2 284.787 1.721 20 10 CDCDLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001205240681 939841278 /nfs/dbraw/zinc/84/12/78/939841278.db2.gz MTZGQBHVJIMWQF-AWEZNQCLSA-N 2 2 284.787 1.721 20 10 CDCDLP Nc1cc[nH+]cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209738210 940634933 /nfs/dbraw/zinc/63/49/33/940634933.db2.gz WEUVFDLOYYPTPT-UHFFFAOYSA-N 2 2 285.347 1.854 20 10 CDCDLP Nc1cc[nH+]cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209738210 940634936 /nfs/dbraw/zinc/63/49/36/940634936.db2.gz WEUVFDLOYYPTPT-UHFFFAOYSA-N 2 2 285.347 1.854 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(OC)c(O)cc1O ZINC001231639562 942955414 /nfs/dbraw/zinc/95/54/14/942955414.db2.gz UGPVUDYVILWQGX-UHFFFAOYSA-N 2 2 291.351 1.825 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(OC)c(O)cc1O ZINC001231639562 942955421 /nfs/dbraw/zinc/95/54/21/942955421.db2.gz UGPVUDYVILWQGX-UHFFFAOYSA-N 2 2 291.351 1.825 20 10 CDCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899887 944312119 /nfs/dbraw/zinc/31/21/19/944312119.db2.gz BAPCVBFIXFFOGX-GDBMZVCRSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899887 944312125 /nfs/dbraw/zinc/31/21/25/944312125.db2.gz BAPCVBFIXFFOGX-GDBMZVCRSA-N 3 2 288.439 1.408 20 10 CDCDLP CCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883989 944602916 /nfs/dbraw/zinc/60/29/16/944602916.db2.gz KCEMZOBRADNBEZ-LBPRGKRZSA-N 2 2 252.358 1.960 20 10 CDCDLP CCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883989 944602923 /nfs/dbraw/zinc/60/29/23/944602923.db2.gz KCEMZOBRADNBEZ-LBPRGKRZSA-N 2 2 252.358 1.960 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]CC[N@H+](CC)CCO)cc1 ZINC000274471134 365677957 /nfs/dbraw/zinc/67/79/57/365677957.db2.gz ZCXHBVLQGHKJBI-UHFFFAOYSA-N 2 2 293.455 1.937 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]CC[N@@H+](CC)CCO)cc1 ZINC000274471134 365677963 /nfs/dbraw/zinc/67/79/63/365677963.db2.gz ZCXHBVLQGHKJBI-UHFFFAOYSA-N 2 2 293.455 1.937 20 10 CDCDLP CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314832 176121019 /nfs/dbraw/zinc/12/10/19/176121019.db2.gz OVAIDFZMECXCAT-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314832 176121020 /nfs/dbraw/zinc/12/10/20/176121020.db2.gz OVAIDFZMECXCAT-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP Oc1ccc(F)cc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000367662813 267107654 /nfs/dbraw/zinc/10/76/54/267107654.db2.gz CCZHSVJJUTWRNC-UHFFFAOYSA-N 2 2 250.317 1.811 20 10 CDCDLP Oc1ccc(F)cc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000367662813 267107659 /nfs/dbraw/zinc/10/76/59/267107659.db2.gz CCZHSVJJUTWRNC-UHFFFAOYSA-N 2 2 250.317 1.811 20 10 CDCDLP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841043796 618677988 /nfs/dbraw/zinc/67/79/88/618677988.db2.gz WIFBJJPXZFMJLR-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939342 728877867 /nfs/dbraw/zinc/87/78/67/728877867.db2.gz BBWLIELJNBHSMN-ZOWXZIJZSA-N 2 2 265.401 1.765 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000818431978 729120343 /nfs/dbraw/zinc/12/03/43/729120343.db2.gz YSYGZHYOEDCJFU-GHMZBOCLSA-N 2 2 295.339 1.669 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051767 729306969 /nfs/dbraw/zinc/30/69/69/729306969.db2.gz LNFNBNGTZMRYDJ-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051767 729306972 /nfs/dbraw/zinc/30/69/72/729306972.db2.gz LNFNBNGTZMRYDJ-YPMHNXCESA-N 2 2 294.395 1.969 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116219 729473574 /nfs/dbraw/zinc/47/35/74/729473574.db2.gz VWUPRWCIVNWRHO-AWEZNQCLSA-N 2 2 295.339 1.480 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116219 729473579 /nfs/dbraw/zinc/47/35/79/729473579.db2.gz VWUPRWCIVNWRHO-AWEZNQCLSA-N 2 2 295.339 1.480 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000853250507 729846758 /nfs/dbraw/zinc/84/67/58/729846758.db2.gz QYBIINLNRGGHHG-CYBMUJFWSA-N 2 2 263.385 1.221 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353595 730058232 /nfs/dbraw/zinc/05/82/32/730058232.db2.gz LSBZDDDXXVZQCL-LKFCYVNXSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353595 730058237 /nfs/dbraw/zinc/05/82/37/730058237.db2.gz LSBZDDDXXVZQCL-LKFCYVNXSA-N 2 2 280.343 1.903 20 10 CDCDLP C[NH+]1CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708480098 923177693 /nfs/dbraw/zinc/17/76/93/923177693.db2.gz DHGYLBDGJSBHAL-UHFFFAOYSA-N 2 2 286.322 1.217 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205831176 925369930 /nfs/dbraw/zinc/36/99/30/925369930.db2.gz WUGPZCIOAVVIGP-JQWIXIFHSA-N 2 2 250.342 1.657 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205831176 925369939 /nfs/dbraw/zinc/36/99/39/925369939.db2.gz WUGPZCIOAVVIGP-JQWIXIFHSA-N 2 2 250.342 1.657 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)CC1 ZINC001206718434 939640512 /nfs/dbraw/zinc/64/05/12/939640512.db2.gz QUHHWLBPZCOKCU-UHFFFAOYSA-N 3 2 288.439 1.219 20 10 CDCDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233014615 943463603 /nfs/dbraw/zinc/46/36/03/943463603.db2.gz ABLIHVUJGDTZSX-UHFFFAOYSA-N 2 2 282.384 1.967 20 10 CDCDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233014615 943463604 /nfs/dbraw/zinc/46/36/04/943463604.db2.gz ABLIHVUJGDTZSX-UHFFFAOYSA-N 2 2 282.384 1.967 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001236868963 944597811 /nfs/dbraw/zinc/59/78/11/944597811.db2.gz KKILSRCQHPUWDQ-JTQLQIEISA-N 2 2 254.330 1.276 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(OC)c(O)cc1O ZINC001236868963 944597816 /nfs/dbraw/zinc/59/78/16/944597816.db2.gz KKILSRCQHPUWDQ-JTQLQIEISA-N 2 2 254.330 1.276 20 10 CDCDLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc2c1OCC2 ZINC000252667604 334384634 /nfs/dbraw/zinc/38/46/34/334384634.db2.gz MFXPTDRNEQZZAP-JKSUJKDBSA-N 2 2 288.391 1.574 20 10 CDCDLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc2c1OCC2 ZINC000252667604 334384635 /nfs/dbraw/zinc/38/46/35/334384635.db2.gz MFXPTDRNEQZZAP-JKSUJKDBSA-N 2 2 288.391 1.574 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037156902 524753489 /nfs/dbraw/zinc/75/34/89/524753489.db2.gz WDYMTPYTINUPLL-NSHDSACASA-N 2 2 261.325 1.776 20 10 CDCDLP C[C@@H]1C[C@@H](C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841044502 618678724 /nfs/dbraw/zinc/67/87/24/618678724.db2.gz ZBWXJURWOONIOP-KEYYUXOJSA-N 3 2 290.455 1.730 20 10 CDCDLP COc1c(O)c(C[N@H+](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843045897 731441044 /nfs/dbraw/zinc/44/10/44/731441044.db2.gz LRHPMSCBPOZYPZ-UHFFFAOYSA-N 2 2 295.339 1.493 20 10 CDCDLP COc1c(O)c(C[N@@H+](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843045897 731441047 /nfs/dbraw/zinc/44/10/47/731441047.db2.gz LRHPMSCBPOZYPZ-UHFFFAOYSA-N 2 2 295.339 1.493 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982797 731807751 /nfs/dbraw/zinc/80/77/51/731807751.db2.gz HJRATNVXIHYXBH-WFASDCNBSA-N 2 2 263.385 1.392 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(F)ccc1O ZINC000717363406 732878853 /nfs/dbraw/zinc/87/88/53/732878853.db2.gz CJKIUXNGKVRXIM-GXSJLCMTSA-N 2 2 256.321 1.104 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841046237 936972712 /nfs/dbraw/zinc/97/27/12/936972712.db2.gz YHWWJTOMGYWWJN-BBRMVZONSA-N 2 2 277.412 1.769 20 10 CDCDLP CC[N@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](C)CC1 ZINC001144508900 931874854 /nfs/dbraw/zinc/87/48/54/931874854.db2.gz CLCXWQHFYPHJEZ-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121766 944409306 /nfs/dbraw/zinc/40/93/06/944409306.db2.gz BZAVHOJAPIHKIC-ZDUSSCGKSA-N 2 2 263.385 1.642 20 10 CDCDLP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121766 944409311 /nfs/dbraw/zinc/40/93/11/944409311.db2.gz BZAVHOJAPIHKIC-ZDUSSCGKSA-N 2 2 263.385 1.642 20 10 CDCDLP Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000226565317 359700317 /nfs/dbraw/zinc/70/03/17/359700317.db2.gz PYGYLXRUJFHHSE-GXFFZTMASA-N 2 2 250.317 1.715 20 10 CDCDLP Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000226565317 359700319 /nfs/dbraw/zinc/70/03/19/359700319.db2.gz PYGYLXRUJFHHSE-GXFFZTMASA-N 2 2 250.317 1.715 20 10 CDCDLP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1O ZINC000774377102 575201827 /nfs/dbraw/zinc/20/18/27/575201827.db2.gz PXVBRYZMOZTAPF-LLVKDONJSA-N 2 2 297.355 1.529 20 10 CDCDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)ccc1O ZINC000854232090 735422440 /nfs/dbraw/zinc/42/24/40/735422440.db2.gz LJFGJXNISQEYOA-QMMMGPOBSA-N 2 2 292.314 1.336 20 10 CDCDLP COc1ccc(N(C)CC[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000844401387 735934659 /nfs/dbraw/zinc/93/46/59/735934659.db2.gz MYIRDNVXGXPHEU-UHFFFAOYSA-N 2 2 288.395 1.960 20 10 CDCDLP COc1ccc(N(C)CC[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000844401387 735934679 /nfs/dbraw/zinc/93/46/79/735934679.db2.gz MYIRDNVXGXPHEU-UHFFFAOYSA-N 2 2 288.395 1.960 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000775368805 734030949 /nfs/dbraw/zinc/03/09/49/734030949.db2.gz GHTPJORSRMOWBH-QWHCGFSZSA-N 2 2 294.395 1.508 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1c(O)cccc1F ZINC000886590147 734091694 /nfs/dbraw/zinc/09/16/94/734091694.db2.gz ORHSYBPKBMYDCJ-QMTHXVAHSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1c(O)cccc1F ZINC000886590147 734091702 /nfs/dbraw/zinc/09/17/02/734091702.db2.gz ORHSYBPKBMYDCJ-QMTHXVAHSA-N 2 2 268.332 1.249 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843347919 734315616 /nfs/dbraw/zinc/31/56/16/734315616.db2.gz YEDILQGCUQDQCX-LLVKDONJSA-N 2 2 280.343 1.905 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843347919 734315619 /nfs/dbraw/zinc/31/56/19/734315619.db2.gz YEDILQGCUQDQCX-LLVKDONJSA-N 2 2 280.343 1.905 20 10 CDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841059232 735154771 /nfs/dbraw/zinc/15/47/71/735154771.db2.gz NQUDPRAMTGFBHB-YOEHRIQHSA-N 2 2 289.423 1.611 20 10 CDCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882988199 735250717 /nfs/dbraw/zinc/25/07/17/735250717.db2.gz FVFNLZWUXUCYIO-NSHDSACASA-N 2 2 299.365 1.396 20 10 CDCDLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045716 735278928 /nfs/dbraw/zinc/27/89/28/735278928.db2.gz OTJMIFVVWQPSAE-TUKIKUTGSA-N 2 2 263.385 1.519 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000817983588 735964530 /nfs/dbraw/zinc/96/45/30/735964530.db2.gz OMOJXNAITSHTFS-PWSUYJOCSA-N 2 2 266.341 1.040 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc21 ZINC000050287731 1166645650 /nfs/dbraw/zinc/64/56/50/1166645650.db2.gz SCVMZEVBNXEMMG-UHFFFAOYSA-N 2 2 259.397 1.864 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3CCC[NH2+]CC3)ccc21 ZINC000050287731 1166645657 /nfs/dbraw/zinc/64/56/57/1166645657.db2.gz SCVMZEVBNXEMMG-UHFFFAOYSA-N 2 2 259.397 1.864 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001140747982 898170384 /nfs/dbraw/zinc/17/03/84/898170384.db2.gz QCIUVSJABWXHLE-TZMCWYRMSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001140747982 898170388 /nfs/dbraw/zinc/17/03/88/898170388.db2.gz QCIUVSJABWXHLE-TZMCWYRMSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001140747982 898170394 /nfs/dbraw/zinc/17/03/94/898170394.db2.gz QCIUVSJABWXHLE-TZMCWYRMSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001140747982 898170399 /nfs/dbraw/zinc/17/03/99/898170399.db2.gz QCIUVSJABWXHLE-TZMCWYRMSA-N 2 2 276.380 1.932 20 10 CDCDLP Oc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001204281787 939752374 /nfs/dbraw/zinc/75/23/74/939752374.db2.gz JIXWJNJJVMTVKK-UHFFFAOYSA-N 2 2 262.353 1.768 20 10 CDCDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977672 944343601 /nfs/dbraw/zinc/34/36/01/944343601.db2.gz HDUCSXCNUHQPSZ-RDJZCZTQSA-N 2 2 287.407 1.446 20 10 CDCDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977672 944343609 /nfs/dbraw/zinc/34/36/09/944343609.db2.gz HDUCSXCNUHQPSZ-RDJZCZTQSA-N 2 2 287.407 1.446 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988441 944351820 /nfs/dbraw/zinc/35/18/20/944351820.db2.gz HWTWHCWOTCHJLS-NHYWBVRUSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988441 944351824 /nfs/dbraw/zinc/35/18/24/944351824.db2.gz HWTWHCWOTCHJLS-NHYWBVRUSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)C[C@H](C)[NH3+])cc1Cl ZINC001236904413 944611212 /nfs/dbraw/zinc/61/12/12/944611212.db2.gz LTSMTRHKOVLCEX-QMMMGPOBSA-N 2 2 258.749 1.833 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839702 538892135 /nfs/dbraw/zinc/89/21/35/538892135.db2.gz MHUDNJVWODOPHY-SJORKVTESA-N 2 2 289.423 1.705 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839702 538892138 /nfs/dbraw/zinc/89/21/38/538892138.db2.gz MHUDNJVWODOPHY-SJORKVTESA-N 2 2 289.423 1.705 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272587347 365307947 /nfs/dbraw/zinc/30/79/47/365307947.db2.gz HHVLZHRCWVDHLO-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272587347 365307951 /nfs/dbraw/zinc/30/79/51/365307951.db2.gz HHVLZHRCWVDHLO-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272587347 365307955 /nfs/dbraw/zinc/30/79/55/365307955.db2.gz HHVLZHRCWVDHLO-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272587347 365307960 /nfs/dbraw/zinc/30/79/60/365307960.db2.gz HHVLZHRCWVDHLO-IUODEOHRSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000068800740 524771685 /nfs/dbraw/zinc/77/16/85/524771685.db2.gz VMARKXLLIVRCGL-STQMWFEESA-N 2 2 293.411 1.297 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800740 524771697 /nfs/dbraw/zinc/77/16/97/524771697.db2.gz VMARKXLLIVRCGL-STQMWFEESA-N 2 2 293.411 1.297 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817982456 738412723 /nfs/dbraw/zinc/41/27/23/738412723.db2.gz SPCCGDCMNMWMRR-OCCSQVGLSA-N 2 2 282.359 1.951 20 10 CDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087238 738442145 /nfs/dbraw/zinc/44/21/45/738442145.db2.gz RZVPKJGLOTTZFD-SNVBAGLBSA-N 2 2 270.760 1.514 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000817982526 738205000 /nfs/dbraw/zinc/20/50/00/738205000.db2.gz DUHKMIMRXAONCC-OLZOCXBDSA-N 2 2 264.369 1.648 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817983966 738217690 /nfs/dbraw/zinc/21/76/90/738217690.db2.gz SQCUOYNFBBJWSI-WCQYABFASA-N 2 2 268.332 1.560 20 10 CDCDLP C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@H](C[NH3+])C1 ZINC000122543629 738372617 /nfs/dbraw/zinc/37/26/17/738372617.db2.gz BVQGBGHOSFMQGB-GFCCVEGCSA-N 2 2 269.776 1.120 20 10 CDCDLP C[N@H+]1CCN(Cc2cc(Cl)ccc2O)[C@H](C[NH3+])C1 ZINC000122543629 738372623 /nfs/dbraw/zinc/37/26/23/738372623.db2.gz BVQGBGHOSFMQGB-GFCCVEGCSA-N 2 2 269.776 1.120 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127496 736805980 /nfs/dbraw/zinc/80/59/80/736805980.db2.gz RRFQFIXYBNAJFS-ZWNOBZJWSA-N 2 2 250.317 1.715 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127496 736805986 /nfs/dbraw/zinc/80/59/86/736805986.db2.gz RRFQFIXYBNAJFS-ZWNOBZJWSA-N 2 2 250.317 1.715 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1C ZINC000817983602 737346877 /nfs/dbraw/zinc/34/68/77/737346877.db2.gz OOFIKZGLGXPUEF-CHWSQXEVSA-N 2 2 264.369 1.648 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2c1c(F)ccc2O ZINC000817984167 737460062 /nfs/dbraw/zinc/46/00/62/737460062.db2.gz VQYLDTYLKMEVSN-FOGDFJRCSA-N 2 2 280.343 1.658 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817984399 737737165 /nfs/dbraw/zinc/73/71/65/737737165.db2.gz XOBDFIJSBSNGAV-MWLCHTKSSA-N 2 2 254.305 1.170 20 10 CDCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2C1 ZINC001137841689 936420598 /nfs/dbraw/zinc/42/05/98/936420598.db2.gz PYZFHWKOQPSBJV-VXGBXAGGSA-N 2 2 264.344 1.915 20 10 CDCDLP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](O)C2)cc1 ZINC001210400790 940688962 /nfs/dbraw/zinc/68/89/62/940688962.db2.gz UHOMQZJNZFIHST-GOSISDBHSA-N 2 2 299.418 1.860 20 10 CDCDLP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]C[C@@H](O)C2)cc1 ZINC001210400790 940688963 /nfs/dbraw/zinc/68/89/63/940688963.db2.gz UHOMQZJNZFIHST-GOSISDBHSA-N 2 2 299.418 1.860 20 10 CDCDLP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235992472 944359780 /nfs/dbraw/zinc/35/97/80/944359780.db2.gz KVDYXFWMTMECSQ-SMDDNHRTSA-N 2 2 250.317 1.763 20 10 CDCDLP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235992472 944359783 /nfs/dbraw/zinc/35/97/83/944359783.db2.gz KVDYXFWMTMECSQ-SMDDNHRTSA-N 2 2 250.317 1.763 20 10 CDCDLP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000271876989 371083873 /nfs/dbraw/zinc/08/38/73/371083873.db2.gz ZPKOKZGWXSOILX-UHFFFAOYSA-N 2 2 284.787 1.592 20 10 CDCDLP COc1ccc(O)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020506072 171228368 /nfs/dbraw/zinc/22/83/68/171228368.db2.gz HFFANQGASJPCNB-UHFFFAOYSA-N 2 2 261.325 1.777 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667514 334384628 /nfs/dbraw/zinc/38/46/28/334384628.db2.gz KTEQJBKGUKNEFB-KBPBESRZSA-N 2 2 262.353 1.345 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667514 334384629 /nfs/dbraw/zinc/38/46/29/334384629.db2.gz KTEQJBKGUKNEFB-KBPBESRZSA-N 2 2 262.353 1.345 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119084 524764539 /nfs/dbraw/zinc/76/45/39/524764539.db2.gz QMFDOKJFJHEEDJ-LLVKDONJSA-N 2 2 261.325 1.948 20 10 CDCDLP CC(=O)c1cc(F)cc(C[NH2+][C@](C)(C[NH3+])C2CC2)c1O ZINC000843355062 617331164 /nfs/dbraw/zinc/33/11/64/617331164.db2.gz BCNIFGJKIQZNBR-OAHLLOKOSA-N 2 2 280.343 1.951 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000841042100 618677273 /nfs/dbraw/zinc/67/72/73/618677273.db2.gz KFCPNVIJBLEJAT-CJNGLKHVSA-N 2 2 277.412 1.769 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000841066600 618680131 /nfs/dbraw/zinc/68/01/31/618680131.db2.gz DDVCDBHGRBZFLT-CQSZACIVSA-N 2 2 284.787 1.904 20 10 CDCDLP C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000032113265 631529280 /nfs/dbraw/zinc/52/92/80/631529280.db2.gz INPLXEUPBNOTLR-UHFFFAOYSA-N 2 2 263.385 1.427 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@]2(C)C[NH2+]CCO2)c(Cl)c1 ZINC001579638283 1172230612 /nfs/dbraw/zinc/23/06/12/1172230612.db2.gz UQYSVAZMGOPOKJ-CQSZACIVSA-N 2 2 284.787 1.822 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841047123 739961973 /nfs/dbraw/zinc/96/19/73/739961973.db2.gz WSSBJXVTPRNHEM-UHFFFAOYSA-N 2 2 277.412 1.612 20 10 CDCDLP COc1ccc(O)c(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385292852 740895123 /nfs/dbraw/zinc/89/51/23/740895123.db2.gz IMXQOVCJAVVEAR-UHFFFAOYSA-N 2 2 250.342 1.714 20 10 CDCDLP COc1ccc(O)c(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385292852 740895124 /nfs/dbraw/zinc/89/51/24/740895124.db2.gz IMXQOVCJAVVEAR-UHFFFAOYSA-N 2 2 250.342 1.714 20 10 CDCDLP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841087721 740967036 /nfs/dbraw/zinc/96/70/36/740967036.db2.gz VDRPWPYYYGFWJS-GFCCVEGCSA-N 2 2 250.342 1.631 20 10 CDCDLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851269 740967393 /nfs/dbraw/zinc/96/73/93/740967393.db2.gz WBTGTMCZIWTVGK-CABCVRRESA-N 2 2 290.407 1.816 20 10 CDCDLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851269 740967394 /nfs/dbraw/zinc/96/73/94/740967394.db2.gz WBTGTMCZIWTVGK-CABCVRRESA-N 2 2 290.407 1.816 20 10 CDCDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846843443 741164822 /nfs/dbraw/zinc/16/48/22/741164822.db2.gz CMWMBOHDCOTSCW-VXGBXAGGSA-N 2 2 282.384 1.364 20 10 CDCDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846843443 741164831 /nfs/dbraw/zinc/16/48/31/741164831.db2.gz CMWMBOHDCOTSCW-VXGBXAGGSA-N 2 2 282.384 1.364 20 10 CDCDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226389 742419027 /nfs/dbraw/zinc/41/90/27/742419027.db2.gz MTYLEFNJZAVLRM-NHYWBVRUSA-N 2 2 276.336 1.434 20 10 CDCDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226389 742419038 /nfs/dbraw/zinc/41/90/38/742419038.db2.gz MTYLEFNJZAVLRM-NHYWBVRUSA-N 2 2 276.336 1.434 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817958406 742482967 /nfs/dbraw/zinc/48/29/67/742482967.db2.gz JMQJQNYXACZMDN-GXFFZTMASA-N 2 2 280.368 1.813 20 10 CDCDLP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817945128 930641798 /nfs/dbraw/zinc/64/17/98/930641798.db2.gz UYGVIMOTRSUNCM-SNVBAGLBSA-N 2 2 285.338 1.226 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817952619 930644336 /nfs/dbraw/zinc/64/43/36/930644336.db2.gz RWIMDHOHGIXWFU-PWSUYJOCSA-N 2 2 278.352 1.581 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001205182612 939833053 /nfs/dbraw/zinc/83/30/53/939833053.db2.gz CUBMKAYECWNHPC-CXAGYDPISA-N 2 2 289.423 1.569 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001205182612 939833054 /nfs/dbraw/zinc/83/30/54/939833054.db2.gz CUBMKAYECWNHPC-CXAGYDPISA-N 2 2 289.423 1.569 20 10 CDCDLP COc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)cc1O ZINC001206361067 940026473 /nfs/dbraw/zinc/02/64/73/940026473.db2.gz FITZHVADXOGGBS-OAHLLOKOSA-N 2 2 298.358 1.759 20 10 CDCDLP COc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)cc1O ZINC001206361067 940026475 /nfs/dbraw/zinc/02/64/75/940026475.db2.gz FITZHVADXOGGBS-OAHLLOKOSA-N 2 2 298.358 1.759 20 10 CDCDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCc3cccc(O)c3C2)O1 ZINC001236073618 944400012 /nfs/dbraw/zinc/40/00/12/944400012.db2.gz VPQPBJACSTYIMY-LBPRGKRZSA-N 2 2 262.353 1.475 20 10 CDCDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCc3cccc(O)c3C2)O1 ZINC001236073618 944400015 /nfs/dbraw/zinc/40/00/15/944400015.db2.gz VPQPBJACSTYIMY-LBPRGKRZSA-N 2 2 262.353 1.475 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001236172385 944421774 /nfs/dbraw/zinc/42/17/74/944421774.db2.gz ZGGMHIHYPZGGOK-CQSZACIVSA-N 2 2 275.396 1.181 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001236172385 944421776 /nfs/dbraw/zinc/42/17/76/944421776.db2.gz ZGGMHIHYPZGGOK-CQSZACIVSA-N 2 2 275.396 1.181 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253205255 951802783 /nfs/dbraw/zinc/80/27/83/951802783.db2.gz BAVSPPMCCYCMOD-HNNXBMFYSA-N 2 2 278.396 1.414 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000273445951 365495979 /nfs/dbraw/zinc/49/59/79/365495979.db2.gz ZTJGYZUKVCLJPM-DGCLKSJQSA-N 2 2 292.379 1.924 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000273445951 365495988 /nfs/dbraw/zinc/49/59/88/365495988.db2.gz ZTJGYZUKVCLJPM-DGCLKSJQSA-N 2 2 292.379 1.924 20 10 CDCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872624 296123833 /nfs/dbraw/zinc/12/38/33/296123833.db2.gz OYQFVJOKDYIGBA-OCCSQVGLSA-N 2 2 291.395 1.383 20 10 CDCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872624 296123836 /nfs/dbraw/zinc/12/38/36/296123836.db2.gz OYQFVJOKDYIGBA-OCCSQVGLSA-N 2 2 291.395 1.383 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839699 391139739 /nfs/dbraw/zinc/13/97/39/391139739.db2.gz MHUDNJVWODOPHY-IAGOWNOFSA-N 2 2 289.423 1.705 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839699 391139740 /nfs/dbraw/zinc/13/97/40/391139740.db2.gz MHUDNJVWODOPHY-IAGOWNOFSA-N 2 2 289.423 1.705 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000068800937 525365735 /nfs/dbraw/zinc/36/57/35/525365735.db2.gz ROCNVGCTTHTGLE-KBPBESRZSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800937 525365744 /nfs/dbraw/zinc/36/57/44/525365744.db2.gz ROCNVGCTTHTGLE-KBPBESRZSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1cccc(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843056969 618691304 /nfs/dbraw/zinc/69/13/04/618691304.db2.gz DKKYUYPTCPOFSA-AAEUAGOBSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1cccc(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843056969 618691309 /nfs/dbraw/zinc/69/13/09/618691309.db2.gz DKKYUYPTCPOFSA-AAEUAGOBSA-N 2 2 250.342 1.249 20 10 CDCDLP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1N1CCOCC1 ZINC000841037058 746358357 /nfs/dbraw/zinc/35/83/57/746358357.db2.gz YGCCOOHBJCISJW-CQSZACIVSA-N 2 2 293.386 1.504 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2c(cc1O)CCCC2 ZINC000817982350 746380275 /nfs/dbraw/zinc/38/02/75/746380275.db2.gz CLUCYAHHTOEGLO-DOMZBBRYSA-N 2 2 290.407 1.910 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1O ZINC000817981627 747031345 /nfs/dbraw/zinc/03/13/45/747031345.db2.gz MDGLMWSXNSWLSE-GXSJLCMTSA-N 2 2 286.322 1.700 20 10 CDCDLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000778186977 749070890 /nfs/dbraw/zinc/07/08/90/749070890.db2.gz BKHWFBIGWJZYSW-AWEZNQCLSA-N 2 2 269.348 1.923 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1O ZINC001140747980 898172267 /nfs/dbraw/zinc/17/22/67/898172267.db2.gz QCIUVSJABWXHLE-JSGCOSHPSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1O ZINC001140747980 898172274 /nfs/dbraw/zinc/17/22/74/898172274.db2.gz QCIUVSJABWXHLE-JSGCOSHPSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1O ZINC001140747980 898172278 /nfs/dbraw/zinc/17/22/78/898172278.db2.gz QCIUVSJABWXHLE-JSGCOSHPSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1O ZINC001140747980 898172282 /nfs/dbraw/zinc/17/22/82/898172282.db2.gz QCIUVSJABWXHLE-JSGCOSHPSA-N 2 2 276.380 1.932 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001206480591 917662998 /nfs/dbraw/zinc/66/29/98/917662998.db2.gz DOJKKHOMQACHOQ-GXSJLCMTSA-N 2 2 290.285 1.162 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001206480591 917663008 /nfs/dbraw/zinc/66/30/08/917663008.db2.gz DOJKKHOMQACHOQ-GXSJLCMTSA-N 2 2 290.285 1.162 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032085 936795781 /nfs/dbraw/zinc/79/57/81/936795781.db2.gz RJKFONLIHHDOBK-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032085 936795784 /nfs/dbraw/zinc/79/57/84/936795784.db2.gz RJKFONLIHHDOBK-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538606 940212193 /nfs/dbraw/zinc/21/21/93/940212193.db2.gz XKFRZNWWHZDTEL-UHFFFAOYSA-N 2 2 293.386 1.211 20 10 CDCDLP COc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)cc1O ZINC001222247403 941578204 /nfs/dbraw/zinc/57/82/04/941578204.db2.gz FBLXZVJPWPVRLE-INIZCTEOSA-N 2 2 292.379 1.824 20 10 CDCDLP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)cc1O ZINC001222247403 941578206 /nfs/dbraw/zinc/57/82/06/941578206.db2.gz FBLXZVJPWPVRLE-INIZCTEOSA-N 2 2 292.379 1.824 20 10 CDCDLP Cc1c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc2n1C ZINC001235991839 944357832 /nfs/dbraw/zinc/35/78/32/944357832.db2.gz GKMCOBBJIIUDRU-UUVAVEHKSA-N 2 2 299.418 1.892 20 10 CDCDLP Cc1c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc2n1C ZINC001235991839 944357839 /nfs/dbraw/zinc/35/78/39/944357839.db2.gz GKMCOBBJIIUDRU-UUVAVEHKSA-N 2 2 299.418 1.892 20 10 CDCDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236022783 944379058 /nfs/dbraw/zinc/37/90/58/944379058.db2.gz DUADRSSWAIUZGH-BBRMVZONSA-N 2 2 275.396 1.771 20 10 CDCDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236022783 944379069 /nfs/dbraw/zinc/37/90/69/944379069.db2.gz DUADRSSWAIUZGH-BBRMVZONSA-N 2 2 275.396 1.771 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000225328915 363088463 /nfs/dbraw/zinc/08/84/63/363088463.db2.gz NWHPCOUEXRYQBC-INIZCTEOSA-N 2 2 276.428 1.088 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000225328915 363088467 /nfs/dbraw/zinc/08/84/67/363088467.db2.gz NWHPCOUEXRYQBC-INIZCTEOSA-N 2 2 276.428 1.088 20 10 CDCDLP C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C[NH+]1CCOCC1 ZINC000297540426 278287134 /nfs/dbraw/zinc/28/71/34/278287134.db2.gz FBCUDQCWBSYTNT-ZFWWWQNUSA-N 2 2 290.407 1.937 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000061376362 523607847 /nfs/dbraw/zinc/60/78/47/523607847.db2.gz CQDAPPHNDUFJSZ-ZDUSSCGKSA-N 2 2 266.385 1.929 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000061376362 523607853 /nfs/dbraw/zinc/60/78/53/523607853.db2.gz CQDAPPHNDUFJSZ-ZDUSSCGKSA-N 2 2 266.385 1.929 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000061376358 523610600 /nfs/dbraw/zinc/61/06/00/523610600.db2.gz CQDAPPHNDUFJSZ-CYBMUJFWSA-N 2 2 266.385 1.929 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000061376358 523610601 /nfs/dbraw/zinc/61/06/01/523610601.db2.gz CQDAPPHNDUFJSZ-CYBMUJFWSA-N 2 2 266.385 1.929 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618238 525485252 /nfs/dbraw/zinc/48/52/52/525485252.db2.gz DDGDQEYVHYGYTN-DGCLKSJQSA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618238 525485257 /nfs/dbraw/zinc/48/52/57/525485257.db2.gz DDGDQEYVHYGYTN-DGCLKSJQSA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801765 525506742 /nfs/dbraw/zinc/50/67/42/525506742.db2.gz RSIGQQIYGCUPFT-PBHICJAKSA-N 2 2 290.455 1.649 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801765 525506750 /nfs/dbraw/zinc/50/67/50/525506750.db2.gz RSIGQQIYGCUPFT-PBHICJAKSA-N 2 2 290.455 1.649 20 10 CDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000264978895 526363093 /nfs/dbraw/zinc/36/30/93/526363093.db2.gz SYASACJRPXLLNU-LLVKDONJSA-N 2 2 284.787 1.592 20 10 CDCDLP CCOCc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1OC ZINC000841064556 618679133 /nfs/dbraw/zinc/67/91/33/618679133.db2.gz YKQJJSFEUFZPER-NSHDSACASA-N 2 2 252.358 1.669 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCC[NH2+]1 ZINC000841067290 621698636 /nfs/dbraw/zinc/69/86/36/621698636.db2.gz MWCSPUYLGFHQAX-CQSZACIVSA-N 2 2 268.332 1.390 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000817943316 751822784 /nfs/dbraw/zinc/82/27/84/751822784.db2.gz UHBHWXOGBUISCX-VBNZEHGJSA-N 2 2 277.412 1.910 20 10 CDCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702602006 752926214 /nfs/dbraw/zinc/92/62/14/752926214.db2.gz FGRGQSXTSVPGGZ-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702602006 752926222 /nfs/dbraw/zinc/92/62/22/752926222.db2.gz FGRGQSXTSVPGGZ-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000843121015 751322416 /nfs/dbraw/zinc/32/24/16/751322416.db2.gz YLVNGIBHDVPRAO-RHSMWYFYSA-N 3 2 288.439 1.217 20 10 CDCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000817983746 753123391 /nfs/dbraw/zinc/12/33/91/753123391.db2.gz PIYGZHZGBWMDRA-XJKSGUPXSA-N 2 2 277.412 1.782 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001140747979 898171333 /nfs/dbraw/zinc/17/13/33/898171333.db2.gz QCIUVSJABWXHLE-GXTWGEPZSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001140747979 898171341 /nfs/dbraw/zinc/17/13/41/898171341.db2.gz QCIUVSJABWXHLE-GXTWGEPZSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001140747979 898171350 /nfs/dbraw/zinc/17/13/50/898171350.db2.gz QCIUVSJABWXHLE-GXTWGEPZSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001140747979 898171361 /nfs/dbraw/zinc/17/13/61/898171361.db2.gz QCIUVSJABWXHLE-GXTWGEPZSA-N 2 2 276.380 1.932 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000237048824 902610520 /nfs/dbraw/zinc/61/05/20/902610520.db2.gz LFXMGXJHVVVFLL-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000237048824 902610526 /nfs/dbraw/zinc/61/05/26/902610526.db2.gz LFXMGXJHVVVFLL-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001205872229 939948980 /nfs/dbraw/zinc/94/89/80/939948980.db2.gz IIBJBVGFDPTOTR-PBHICJAKSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001205872229 939948984 /nfs/dbraw/zinc/94/89/84/939948984.db2.gz IIBJBVGFDPTOTR-PBHICJAKSA-N 3 2 288.439 1.265 20 10 CDCDLP Oc1cc(F)cc(F)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095347 941563683 /nfs/dbraw/zinc/56/36/83/941563683.db2.gz PMODVMYFALRTSY-UHFFFAOYSA-N 2 2 297.349 1.198 20 10 CDCDLP Oc1cc(F)cc(F)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095347 941563684 /nfs/dbraw/zinc/56/36/84/941563684.db2.gz PMODVMYFALRTSY-UHFFFAOYSA-N 2 2 297.349 1.198 20 10 CDCDLP COCC[N@H+](C)CC[NH2+]Cc1cc(C)ccc1O ZINC000071409291 523605640 /nfs/dbraw/zinc/60/56/40/523605640.db2.gz XRUXFRGJJOYTMD-UHFFFAOYSA-N 2 2 252.358 1.368 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+]Cc1cc(C)ccc1O ZINC000071409291 523605649 /nfs/dbraw/zinc/60/56/49/523605649.db2.gz XRUXFRGJJOYTMD-UHFFFAOYSA-N 2 2 252.358 1.368 20 10 CDCDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000841063788 618679626 /nfs/dbraw/zinc/67/96/26/618679626.db2.gz OQJJOILSLBFGFG-QMMMGPOBSA-N 2 2 273.174 1.900 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817984401 754240178 /nfs/dbraw/zinc/24/01/78/754240178.db2.gz XOBDFIJSBSNGAV-ONGXEEELSA-N 2 2 254.305 1.170 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000313356419 755058285 /nfs/dbraw/zinc/05/82/85/755058285.db2.gz QMDAMWWOULFWPQ-JTQLQIEISA-N 2 2 270.760 1.595 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000313356419 755058289 /nfs/dbraw/zinc/05/82/89/755058289.db2.gz QMDAMWWOULFWPQ-JTQLQIEISA-N 2 2 270.760 1.595 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(F)ccc1O ZINC000717363410 755645800 /nfs/dbraw/zinc/64/58/00/755645800.db2.gz CJKIUXNGKVRXIM-ONGXEEELSA-N 2 2 256.321 1.104 20 10 CDCDLP COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349528 756243647 /nfs/dbraw/zinc/24/36/47/756243647.db2.gz CCJCSCGVXLPBOG-UONOGXRCSA-N 2 2 275.396 1.616 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000841087427 757406909 /nfs/dbraw/zinc/40/69/09/757406909.db2.gz OFIRNNWEGFVPRA-LLVKDONJSA-N 2 2 297.355 1.772 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000843043870 757665495 /nfs/dbraw/zinc/66/54/95/757665495.db2.gz NLMAAFDJHIBOGH-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000843043870 757665509 /nfs/dbraw/zinc/66/55/09/757665509.db2.gz NLMAAFDJHIBOGH-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116225 757950563 /nfs/dbraw/zinc/95/05/63/757950563.db2.gz VWUPRWCIVNWRHO-CQSZACIVSA-N 2 2 295.339 1.480 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116225 757950581 /nfs/dbraw/zinc/95/05/81/757950581.db2.gz VWUPRWCIVNWRHO-CQSZACIVSA-N 2 2 295.339 1.480 20 10 CDCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000817983745 758476906 /nfs/dbraw/zinc/47/69/06/758476906.db2.gz PIYGZHZGBWMDRA-CZUORRHYSA-N 2 2 277.412 1.782 20 10 CDCDLP Oc1cc(Br)ccc1C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001580888689 1167725418 /nfs/dbraw/zinc/72/54/18/1167725418.db2.gz VXHRNDTXERRBPW-LBPRGKRZSA-N 2 2 297.196 1.996 20 10 CDCDLP COCC[N@H+](Cc1ccccc1O)C1CC[NH+](C)CC1 ZINC001203556738 939693103 /nfs/dbraw/zinc/69/31/03/939693103.db2.gz VRIFUZMQGIJDKD-UHFFFAOYSA-N 2 2 278.396 1.935 20 10 CDCDLP COCC[N@@H+](Cc1ccccc1O)C1CC[NH+](C)CC1 ZINC001203556738 939693105 /nfs/dbraw/zinc/69/31/05/939693105.db2.gz VRIFUZMQGIJDKD-UHFFFAOYSA-N 2 2 278.396 1.935 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001205763536 939933566 /nfs/dbraw/zinc/93/35/66/939933566.db2.gz QSQLGORDXHBIBQ-SNVBAGLBSA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001205763536 939933569 /nfs/dbraw/zinc/93/35/69/939933569.db2.gz QSQLGORDXHBIBQ-SNVBAGLBSA-N 2 2 274.286 1.947 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205967781 939961742 /nfs/dbraw/zinc/96/17/42/939961742.db2.gz XQWQNUGFIFLSTL-DGCLKSJQSA-N 2 2 270.760 1.248 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205967781 939961745 /nfs/dbraw/zinc/96/17/45/939961745.db2.gz XQWQNUGFIFLSTL-DGCLKSJQSA-N 2 2 270.760 1.248 20 10 CDCDLP COc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)cc1O ZINC001222247405 941578218 /nfs/dbraw/zinc/57/82/18/941578218.db2.gz FBLXZVJPWPVRLE-MRXNPFEDSA-N 2 2 292.379 1.824 20 10 CDCDLP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)cc1O ZINC001222247405 941578220 /nfs/dbraw/zinc/57/82/20/941578220.db2.gz FBLXZVJPWPVRLE-MRXNPFEDSA-N 2 2 292.379 1.824 20 10 CDCDLP COCCC[N@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235804558 944282356 /nfs/dbraw/zinc/28/23/56/944282356.db2.gz FKPRHRBTTRGMJE-MRXNPFEDSA-N 2 2 277.412 1.859 20 10 CDCDLP COCCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235804558 944282365 /nfs/dbraw/zinc/28/23/65/944282365.db2.gz FKPRHRBTTRGMJE-MRXNPFEDSA-N 2 2 277.412 1.859 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001236017417 944374541 /nfs/dbraw/zinc/37/45/41/944374541.db2.gz FKNOJQJRLVLRQO-HOCLYGCPSA-N 2 2 257.381 1.820 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001236017417 944374544 /nfs/dbraw/zinc/37/45/44/944374544.db2.gz FKNOJQJRLVLRQO-HOCLYGCPSA-N 2 2 257.381 1.820 20 10 CDCDLP C[C@@H](CCCCO)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942567 769827371 /nfs/dbraw/zinc/82/73/71/769827371.db2.gz PPIPTBDQWJPRRF-BBRMVZONSA-N 2 2 279.428 1.893 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1C ZINC000841098125 768816994 /nfs/dbraw/zinc/81/69/94/768816994.db2.gz CRRJOUKIOQTUII-ZDUSSCGKSA-N 2 2 250.342 1.087 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000853249867 769868420 /nfs/dbraw/zinc/86/84/20/769868420.db2.gz XBSPHNTWGAOBDB-SECBINFHSA-N 2 2 254.330 1.107 20 10 CDCDLP C[C@@H]([NH2+]CC[NH3+])c1cc(Br)ccc1O ZINC000817934082 769878976 /nfs/dbraw/zinc/87/89/76/769878976.db2.gz BQNVRGXXZODQPY-SSDOTTSWSA-N 2 2 259.147 1.764 20 10 CDCDLP CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000841078575 771838338 /nfs/dbraw/zinc/83/83/38/771838338.db2.gz JAGHELHKTMSCGF-RYUDHWBXSA-N 2 2 268.332 1.581 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120306 771888956 /nfs/dbraw/zinc/88/89/56/771888956.db2.gz DPLQFWMNQNDDEC-CQSZACIVSA-N 2 2 250.317 1.717 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120306 771888957 /nfs/dbraw/zinc/88/89/57/771888957.db2.gz DPLQFWMNQNDDEC-CQSZACIVSA-N 2 2 250.317 1.717 20 10 CDCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702602009 772641996 /nfs/dbraw/zinc/64/19/96/772641996.db2.gz FGRGQSXTSVPGGZ-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702602009 772641994 /nfs/dbraw/zinc/64/19/94/772641994.db2.gz FGRGQSXTSVPGGZ-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205076823 912795432 /nfs/dbraw/zinc/79/54/32/912795432.db2.gz WQEPKRFPPUDMIA-ONGXEEELSA-N 2 2 266.341 1.418 20 10 CDCDLP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205076823 912795445 /nfs/dbraw/zinc/79/54/45/912795445.db2.gz WQEPKRFPPUDMIA-ONGXEEELSA-N 2 2 266.341 1.418 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185179 912128725 /nfs/dbraw/zinc/12/87/25/912128725.db2.gz LIFIPTVDHPICOX-ZJUUUORDSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185179 912128731 /nfs/dbraw/zinc/12/87/31/912128731.db2.gz LIFIPTVDHPICOX-ZJUUUORDSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001205787392 939936375 /nfs/dbraw/zinc/93/63/75/939936375.db2.gz GKVCEXOEDPMCFQ-VIFPVBQESA-N 2 2 288.294 1.219 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001205787392 939936377 /nfs/dbraw/zinc/93/63/77/939936377.db2.gz GKVCEXOEDPMCFQ-VIFPVBQESA-N 2 2 288.294 1.219 20 10 CDCDLP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]C[C@H](O)C2)cc1 ZINC001210400800 940688778 /nfs/dbraw/zinc/68/87/78/940688778.db2.gz UHOMQZJNZFIHST-SFHVURJKSA-N 2 2 299.418 1.860 20 10 CDCDLP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]C[C@H](O)C2)cc1 ZINC001210400800 940688782 /nfs/dbraw/zinc/68/87/82/940688782.db2.gz UHOMQZJNZFIHST-SFHVURJKSA-N 2 2 299.418 1.860 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253192944 951790820 /nfs/dbraw/zinc/79/08/20/951790820.db2.gz CEGAHCJSKSWVPJ-AWEZNQCLSA-N 2 2 278.396 1.453 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001253192944 951790822 /nfs/dbraw/zinc/79/08/22/951790822.db2.gz CEGAHCJSKSWVPJ-AWEZNQCLSA-N 2 2 278.396 1.453 20 10 CDCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000274474777 365679930 /nfs/dbraw/zinc/67/99/30/365679930.db2.gz ZTSFKDPHPFZGTC-UHFFFAOYSA-N 2 2 266.385 1.407 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000274474777 365679932 /nfs/dbraw/zinc/67/99/32/365679932.db2.gz ZTSFKDPHPFZGTC-UHFFFAOYSA-N 2 2 266.385 1.407 20 10 CDCDLP COc1c(O)c(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000841037607 621312666 /nfs/dbraw/zinc/31/26/66/621312666.db2.gz BCPIWOJEGNIRFC-NSHDSACASA-N 2 2 297.355 1.772 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817982455 774436228 /nfs/dbraw/zinc/43/62/28/774436228.db2.gz SPCCGDCMNMWMRR-JSGCOSHPSA-N 2 2 282.359 1.951 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000841052012 775049736 /nfs/dbraw/zinc/04/97/36/775049736.db2.gz YCHDHKFHQRXAJN-SNVBAGLBSA-N 2 2 281.312 1.136 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)ccc1O ZINC000817976780 775057137 /nfs/dbraw/zinc/05/71/37/775057137.db2.gz TXEZGJHKZYHIFI-MIMYLULJSA-N 2 2 256.296 1.882 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000843047731 776155324 /nfs/dbraw/zinc/15/53/24/776155324.db2.gz YFWBERFAFAEIEE-UHFFFAOYSA-N 2 2 275.396 1.319 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000843047731 776155355 /nfs/dbraw/zinc/15/53/55/776155355.db2.gz YFWBERFAFAEIEE-UHFFFAOYSA-N 2 2 275.396 1.319 20 10 CDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000808693997 777727799 /nfs/dbraw/zinc/72/77/99/777727799.db2.gz XHULROOXHYNYJO-JQWIXIFHSA-N 2 2 286.803 1.927 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000853250508 778399283 /nfs/dbraw/zinc/39/92/83/778399283.db2.gz QYBIINLNRGGHHG-ZDUSSCGKSA-N 2 2 263.385 1.221 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000817966014 778625164 /nfs/dbraw/zinc/62/51/64/778625164.db2.gz ZEIGGCUPTBHOTR-RNCFNFMXSA-N 2 2 278.352 1.567 20 10 CDCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603887 779529285 /nfs/dbraw/zinc/52/92/85/779529285.db2.gz ONAFPZNDDTWMAW-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603887 779529298 /nfs/dbraw/zinc/52/92/98/779529298.db2.gz ONAFPZNDDTWMAW-ZDUSSCGKSA-N 2 2 270.760 1.202 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000843056670 937108366 /nfs/dbraw/zinc/10/83/66/937108366.db2.gz UZAPJJGTDVSXGY-CZUORRHYSA-N 2 2 277.412 1.609 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000843056670 937108367 /nfs/dbraw/zinc/10/83/67/937108367.db2.gz UZAPJJGTDVSXGY-CZUORRHYSA-N 2 2 277.412 1.609 20 10 CDCDLP Oc1cc(Br)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691476864 928970531 /nfs/dbraw/zinc/97/05/31/928970531.db2.gz KLCBBIMHIZBKRV-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP Oc1cc(Br)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691476864 928970541 /nfs/dbraw/zinc/97/05/41/928970541.db2.gz KLCBBIMHIZBKRV-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP COc1cc(C[NH+]2CCOCC2)ccc1N1CC[C@H]([NH3+])C1 ZINC001164289197 939447583 /nfs/dbraw/zinc/44/75/83/939447583.db2.gz VWBKGIAHPZBEFE-AWEZNQCLSA-N 2 2 291.395 1.065 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204808911 939792998 /nfs/dbraw/zinc/79/29/98/939792998.db2.gz DXWCPGYJERBOGO-OAHLLOKOSA-N 2 2 278.352 1.031 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204808911 939793002 /nfs/dbraw/zinc/79/30/02/939793002.db2.gz DXWCPGYJERBOGO-OAHLLOKOSA-N 2 2 278.352 1.031 20 10 CDCDLP C[N@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001233482188 943591583 /nfs/dbraw/zinc/59/15/83/943591583.db2.gz DGNDQPNTUXBIOH-UHFFFAOYSA-N 2 2 266.341 1.329 20 10 CDCDLP C[N@@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001233482188 943591585 /nfs/dbraw/zinc/59/15/85/943591585.db2.gz DGNDQPNTUXBIOH-UHFFFAOYSA-N 2 2 266.341 1.329 20 10 CDCDLP CC[N@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001233485400 943592428 /nfs/dbraw/zinc/59/24/28/943592428.db2.gz UKKWDFUHQHYZPM-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP CC[N@@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001233485400 943592432 /nfs/dbraw/zinc/59/24/32/943592432.db2.gz UKKWDFUHQHYZPM-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP Oc1cc(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1O ZINC001233486169 943593661 /nfs/dbraw/zinc/59/36/61/943593661.db2.gz BFJRCPGABSVLNY-UHFFFAOYSA-N 2 2 289.335 1.837 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001236169313 944421064 /nfs/dbraw/zinc/42/10/64/944421064.db2.gz CTQUSKUVSORLEX-INIZCTEOSA-N 3 2 288.439 1.362 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001236169313 944421067 /nfs/dbraw/zinc/42/10/67/944421067.db2.gz CTQUSKUVSORLEX-INIZCTEOSA-N 3 2 288.439 1.362 20 10 CDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246172262 948007718 /nfs/dbraw/zinc/00/77/18/948007718.db2.gz HHFFLFYWFJZWSH-HOCLYGCPSA-N 3 2 288.439 1.326 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000184542128 262022903 /nfs/dbraw/zinc/02/29/03/262022903.db2.gz YZYQPFPXZSYDBJ-UHFFFAOYSA-N 2 2 266.385 1.413 20 10 CDCDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000069025056 523986118 /nfs/dbraw/zinc/98/61/18/523986118.db2.gz LTKPEDHYDJLKEX-UHFFFAOYSA-N 2 2 291.395 1.034 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803329 525397381 /nfs/dbraw/zinc/39/73/81/525397381.db2.gz DWKMDSKKRSJBCA-WCQYABFASA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803329 525397385 /nfs/dbraw/zinc/39/73/85/525397385.db2.gz DWKMDSKKRSJBCA-WCQYABFASA-N 2 2 281.375 1.428 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000841044802 618678556 /nfs/dbraw/zinc/67/85/56/618678556.db2.gz IKHJNRCHKDVEKK-LLVKDONJSA-N 2 2 285.185 1.915 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959943 782662923 /nfs/dbraw/zinc/66/29/23/782662923.db2.gz IBEVZPDGMJYLLT-SECBINFHSA-N 2 2 266.341 1.567 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000853249096 783019042 /nfs/dbraw/zinc/01/90/42/783019042.db2.gz NEQHSMDVJPIIAF-MRVPVSSYSA-N 2 2 258.749 1.752 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000818984588 781722229 /nfs/dbraw/zinc/72/22/29/781722229.db2.gz CULCTHKAJGHUFO-AWEZNQCLSA-N 2 2 295.402 1.436 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000818984588 781722237 /nfs/dbraw/zinc/72/22/37/781722237.db2.gz CULCTHKAJGHUFO-AWEZNQCLSA-N 2 2 295.402 1.436 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752216 783252954 /nfs/dbraw/zinc/25/29/54/783252954.db2.gz NBITWEQFAKIDFJ-HZMBPMFUSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752216 783252960 /nfs/dbraw/zinc/25/29/60/783252960.db2.gz NBITWEQFAKIDFJ-HZMBPMFUSA-N 2 2 284.787 1.763 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204801937 906999606 /nfs/dbraw/zinc/99/96/06/906999606.db2.gz XJQRXPXBJRYTGO-CQSZACIVSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204801937 906999620 /nfs/dbraw/zinc/99/96/20/906999620.db2.gz XJQRXPXBJRYTGO-CQSZACIVSA-N 2 2 250.342 1.714 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817981464 930655489 /nfs/dbraw/zinc/65/54/89/930655489.db2.gz KOMOQWGRFBBURV-JQWIXIFHSA-N 2 2 268.332 1.560 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235063095 944037623 /nfs/dbraw/zinc/03/76/23/944037623.db2.gz OBDGLLKTPBMPKM-HNNXBMFYSA-N 2 2 295.814 1.491 20 10 CDCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235342417 944127758 /nfs/dbraw/zinc/12/77/58/944127758.db2.gz NCFLGZWNPAIPAX-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235342417 944127762 /nfs/dbraw/zinc/12/77/62/944127762.db2.gz NCFLGZWNPAIPAX-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)CC1 ZINC001236895049 944609438 /nfs/dbraw/zinc/60/94/38/944609438.db2.gz ITDVTRUMNKKVLC-HNNXBMFYSA-N 3 2 290.455 1.608 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)CC1 ZINC001236895049 944609445 /nfs/dbraw/zinc/60/94/45/944609445.db2.gz ITDVTRUMNKKVLC-HNNXBMFYSA-N 3 2 290.455 1.608 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784875 576671311 /nfs/dbraw/zinc/67/13/11/576671311.db2.gz BEYUKHFKVFCBPG-YMTOWFKASA-N 2 2 286.322 1.388 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784875 576671313 /nfs/dbraw/zinc/67/13/13/576671313.db2.gz BEYUKHFKVFCBPG-YMTOWFKASA-N 2 2 286.322 1.388 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1F ZINC000925530154 617460202 /nfs/dbraw/zinc/46/02/02/617460202.db2.gz OKEVKSHHHBKYCU-CMSWKTDVSA-N 2 2 289.398 1.978 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccncc2)cc1 ZINC000841043690 618677703 /nfs/dbraw/zinc/67/77/03/618677703.db2.gz QCJJRUKVRMUEFQ-MRXNPFEDSA-N 2 2 270.380 1.937 20 10 CDCDLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043436 618677865 /nfs/dbraw/zinc/67/78/65/618677865.db2.gz OINDHGAYQNXSMX-INIZCTEOSA-N 2 2 287.411 1.882 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001206097112 1164227966 /nfs/dbraw/zinc/22/79/66/1164227966.db2.gz IIRGJTJZYCZWEK-HUUCEWRRSA-N 2 2 272.348 1.439 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001206097112 1164227974 /nfs/dbraw/zinc/22/79/74/1164227974.db2.gz IIRGJTJZYCZWEK-HUUCEWRRSA-N 2 2 272.348 1.439 20 10 CDCDLP Cc1cccc(O)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000877642132 1166073455 /nfs/dbraw/zinc/07/34/55/1166073455.db2.gz PMIPRVCSQVNURF-UHFFFAOYSA-N 2 2 286.379 1.756 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226338623 911675358 /nfs/dbraw/zinc/67/53/58/911675358.db2.gz KIRIKKWBIQMVND-FZMZJTMJSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226338623 911675360 /nfs/dbraw/zinc/67/53/60/911675360.db2.gz KIRIKKWBIQMVND-FZMZJTMJSA-N 2 2 264.369 1.960 20 10 CDCDLP CCOC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045825 936972733 /nfs/dbraw/zinc/97/27/33/936972733.db2.gz QYEFEDNWTVKUMW-IUODEOHRSA-N 2 2 265.401 1.767 20 10 CDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000863644727 929584642 /nfs/dbraw/zinc/58/46/42/929584642.db2.gz HVXVTIXSPXMJPU-UHFFFAOYSA-N 2 2 263.385 1.304 20 10 CDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000863644727 929584650 /nfs/dbraw/zinc/58/46/50/929584650.db2.gz HVXVTIXSPXMJPU-UHFFFAOYSA-N 2 2 263.385 1.304 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817896935 930621983 /nfs/dbraw/zinc/62/19/83/930621983.db2.gz ZMWBXGMGTLYLOY-IAGOWNOFSA-N 2 2 289.423 1.609 20 10 CDCDLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391135 931042734 /nfs/dbraw/zinc/04/27/34/931042734.db2.gz IANBDYXADWPCAT-ZDUSSCGKSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391135 931042738 /nfs/dbraw/zinc/04/27/38/931042738.db2.gz IANBDYXADWPCAT-ZDUSSCGKSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821391135 931042742 /nfs/dbraw/zinc/04/27/42/931042742.db2.gz IANBDYXADWPCAT-ZDUSSCGKSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391135 931042748 /nfs/dbraw/zinc/04/27/48/931042748.db2.gz IANBDYXADWPCAT-ZDUSSCGKSA-N 2 2 252.358 1.137 20 10 CDCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001120371102 937796227 /nfs/dbraw/zinc/79/62/27/937796227.db2.gz QJDNMLPDTAVVAW-UHFFFAOYSA-N 2 2 298.390 1.995 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001205725852 939928063 /nfs/dbraw/zinc/92/80/63/939928063.db2.gz MFRMUOULDLLYDU-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001205725852 939928065 /nfs/dbraw/zinc/92/80/65/939928065.db2.gz MFRMUOULDLLYDU-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1F ZINC001206182629 939993027 /nfs/dbraw/zinc/99/30/27/939993027.db2.gz CKQGAECQPUXIJK-JOYOIKCWSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1F ZINC001206182629 939993029 /nfs/dbraw/zinc/99/30/29/939993029.db2.gz CKQGAECQPUXIJK-JOYOIKCWSA-N 2 2 274.286 1.932 20 10 CDCDLP Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234991059 944000037 /nfs/dbraw/zinc/00/00/37/944000037.db2.gz PIJZCNLZLIVBPB-AWEZNQCLSA-N 2 2 299.777 1.322 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520326 368637827 /nfs/dbraw/zinc/63/78/27/368637827.db2.gz BDGVFUCQIPMWQC-DZGCQCFKSA-N 2 2 295.402 1.818 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520326 368637828 /nfs/dbraw/zinc/63/78/28/368637828.db2.gz BDGVFUCQIPMWQC-DZGCQCFKSA-N 2 2 295.402 1.818 20 10 CDCDLP Cc1nn(C)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046285 621590353 /nfs/dbraw/zinc/59/03/53/621590353.db2.gz ZBUBQYOKDZFULP-MRXNPFEDSA-N 2 2 287.411 1.584 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977340 785502461 /nfs/dbraw/zinc/50/24/61/785502461.db2.gz HXZXKQCLGWIMQP-HDRXNWCYSA-N 2 2 276.336 1.047 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221127 785650391 /nfs/dbraw/zinc/65/03/91/785650391.db2.gz VZQXRHARQQFHGG-CYBMUJFWSA-N 2 2 263.385 1.302 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221127 785650402 /nfs/dbraw/zinc/65/04/02/785650402.db2.gz VZQXRHARQQFHGG-CYBMUJFWSA-N 2 2 263.385 1.302 20 10 CDCDLP Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[NH2+]1)OCO2 ZINC000841032606 786591105 /nfs/dbraw/zinc/59/11/05/786591105.db2.gz HNNCPPVIYIBPOF-NSHDSACASA-N 2 2 264.325 1.353 20 10 CDCDLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC000877652307 787603243 /nfs/dbraw/zinc/60/32/43/787603243.db2.gz UMQQUCDWEZTNJK-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC000877652307 787603251 /nfs/dbraw/zinc/60/32/51/787603251.db2.gz UMQQUCDWEZTNJK-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP C[C@@H](CCCCO)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942572 787834617 /nfs/dbraw/zinc/83/46/17/787834617.db2.gz PPIPTBDQWJPRRF-XJKSGUPXSA-N 2 2 279.428 1.893 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000796754286 788018330 /nfs/dbraw/zinc/01/83/30/788018330.db2.gz JBSLMPVADXMKAL-YPMHNXCESA-N 2 2 270.348 1.495 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1O ZINC000841765270 788855052 /nfs/dbraw/zinc/85/50/52/788855052.db2.gz WYTLMGVPBKQZRF-GXSJLCMTSA-N 2 2 272.776 1.619 20 10 CDCDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846843440 789287710 /nfs/dbraw/zinc/28/77/10/789287710.db2.gz CMWMBOHDCOTSCW-NEPJUHHUSA-N 2 2 282.384 1.364 20 10 CDCDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846843440 789287723 /nfs/dbraw/zinc/28/77/23/789287723.db2.gz CMWMBOHDCOTSCW-NEPJUHHUSA-N 2 2 282.384 1.364 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942453 789288211 /nfs/dbraw/zinc/28/82/11/789288211.db2.gz OXKQUZFLSZGXHP-WBMJQRKESA-N 2 2 287.411 1.837 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085426 936975345 /nfs/dbraw/zinc/97/53/45/936975345.db2.gz CDJQFEYKDUADEL-CYBMUJFWSA-N 2 2 250.342 1.631 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204801660 939792597 /nfs/dbraw/zinc/79/25/97/939792597.db2.gz SAFVTDUKNALYMH-AWEZNQCLSA-N 2 2 250.342 1.632 20 10 CDCDLP COc1cc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204801660 939792600 /nfs/dbraw/zinc/79/26/00/939792600.db2.gz SAFVTDUKNALYMH-AWEZNQCLSA-N 2 2 250.342 1.632 20 10 CDCDLP [NH3+]CC1(F)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001222538468 941610377 /nfs/dbraw/zinc/61/03/77/941610377.db2.gz NCYZXTVYNFDOTO-UHFFFAOYSA-N 2 2 274.286 1.933 20 10 CDCDLP C[C@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210166 948028827 /nfs/dbraw/zinc/02/88/27/948028827.db2.gz CGDGRAIUQBQSHP-ONGXEEELSA-N 2 2 266.341 1.076 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1C ZINC000273612172 365514338 /nfs/dbraw/zinc/51/43/38/365514338.db2.gz WLIINLVSXIQXIO-CABCVRRESA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1C ZINC000273612172 365514339 /nfs/dbraw/zinc/51/43/39/365514339.db2.gz WLIINLVSXIQXIO-CABCVRRESA-N 2 2 291.439 1.905 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252738624 334388310 /nfs/dbraw/zinc/38/83/10/334388310.db2.gz FONGDJPMYXISOB-QWHCGFSZSA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252738624 334388311 /nfs/dbraw/zinc/38/83/11/334388311.db2.gz FONGDJPMYXISOB-QWHCGFSZSA-N 2 2 296.798 1.998 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130281 522854763 /nfs/dbraw/zinc/85/47/63/522854763.db2.gz OXYUAJPUBJPOIO-GDBMZVCRSA-N 2 2 291.439 1.987 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130281 522854769 /nfs/dbraw/zinc/85/47/69/522854769.db2.gz OXYUAJPUBJPOIO-GDBMZVCRSA-N 2 2 291.439 1.987 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2c1c(F)ccc2O ZINC000756552218 576995109 /nfs/dbraw/zinc/99/51/09/576995109.db2.gz DCVTZKMJSRBXHG-CKYFFXLPSA-N 2 2 282.359 1.592 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000756554886 576995454 /nfs/dbraw/zinc/99/54/54/576995454.db2.gz JVKLLICYMFTDSO-MWLCHTKSSA-N 2 2 272.776 1.619 20 10 CDCDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043905 618678462 /nfs/dbraw/zinc/67/84/62/618678462.db2.gz YZYXHDGQMRJUIP-LLVKDONJSA-N 2 2 285.185 1.996 20 10 CDCDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841064562 618679434 /nfs/dbraw/zinc/67/94/34/618679434.db2.gz YPYMNDHZEIZPGO-NSHDSACASA-N 2 2 267.348 1.099 20 10 CDCDLP COc1c(O)c(C[NH2+]C2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841065328 618679566 /nfs/dbraw/zinc/67/95/66/618679566.db2.gz NXTCGVFQQWOEAU-UHFFFAOYSA-N 2 2 295.339 1.541 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904354425 626263358 /nfs/dbraw/zinc/26/33/58/626263358.db2.gz XWDJBUFGNMMLCI-ABIUDSBCSA-N 3 2 262.401 1.079 20 10 CDCDLP Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056972 790011499 /nfs/dbraw/zinc/01/14/99/790011499.db2.gz DKKYUYPTCPOFSA-YPMHNXCESA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1cccc(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056972 790011507 /nfs/dbraw/zinc/01/15/07/790011507.db2.gz DKKYUYPTCPOFSA-YPMHNXCESA-N 2 2 250.342 1.249 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000133064183 790095266 /nfs/dbraw/zinc/09/52/66/790095266.db2.gz DQARJXUDBGXNCF-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000133064183 790095272 /nfs/dbraw/zinc/09/52/72/790095272.db2.gz DQARJXUDBGXNCF-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP C[C@H](CCCCO)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942570 794454342 /nfs/dbraw/zinc/45/43/42/794454342.db2.gz PPIPTBDQWJPRRF-CZUORRHYSA-N 2 2 279.428 1.893 20 10 CDCDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883296 939711604 /nfs/dbraw/zinc/71/16/04/939711604.db2.gz HHBVQJDWRQIXFS-STQMWFEESA-N 2 2 262.353 1.481 20 10 CDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278184 939751313 /nfs/dbraw/zinc/75/13/13/939751313.db2.gz WVSKABPQOIBCHK-FZMZJTMJSA-N 2 2 262.353 1.624 20 10 CDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278184 939751314 /nfs/dbraw/zinc/75/13/14/939751314.db2.gz WVSKABPQOIBCHK-FZMZJTMJSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278184 939751315 /nfs/dbraw/zinc/75/13/15/939751315.db2.gz WVSKABPQOIBCHK-FZMZJTMJSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278184 939751316 /nfs/dbraw/zinc/75/13/16/939751316.db2.gz WVSKABPQOIBCHK-FZMZJTMJSA-N 2 2 262.353 1.624 20 10 CDCDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782929 939790917 /nfs/dbraw/zinc/79/09/17/939790917.db2.gz MEBYRGMJBMZXMD-KRWDZBQOSA-N 2 2 289.423 1.571 20 10 CDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782929 939790919 /nfs/dbraw/zinc/79/09/19/939790919.db2.gz MEBYRGMJBMZXMD-KRWDZBQOSA-N 2 2 289.423 1.571 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992624 944359692 /nfs/dbraw/zinc/35/96/92/944359692.db2.gz PUWFLDISQQYLBQ-IUODEOHRSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992624 944359698 /nfs/dbraw/zinc/35/96/98/944359698.db2.gz PUWFLDISQQYLBQ-IUODEOHRSA-N 2 2 262.353 1.714 20 10 CDCDLP CN(C)c1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)cc1 ZINC001236189856 944424835 /nfs/dbraw/zinc/42/48/35/944424835.db2.gz PKKPEIIGSBIHPJ-HNNXBMFYSA-N 2 2 277.412 1.909 20 10 CDCDLP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)cc1 ZINC001236189856 944424837 /nfs/dbraw/zinc/42/48/37/944424837.db2.gz PKKPEIIGSBIHPJ-HNNXBMFYSA-N 2 2 277.412 1.909 20 10 CDCDLP Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379920 944736557 /nfs/dbraw/zinc/73/65/57/944736557.db2.gz DRYBHDUTUNKAKG-QWHCGFSZSA-N 2 2 262.353 1.672 20 10 CDCDLP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379920 944736567 /nfs/dbraw/zinc/73/65/67/944736567.db2.gz DRYBHDUTUNKAKG-QWHCGFSZSA-N 2 2 262.353 1.672 20 10 CDCDLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC23CC3)c(O)c1OC ZINC001579216319 1172118955 /nfs/dbraw/zinc/11/89/55/1172118955.db2.gz NXEYEWLYRJAHHA-GFCCVEGCSA-N 2 2 278.352 1.251 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@]2(C)C[NH2+]CCO2)c(Cl)c1 ZINC001579638282 1172231152 /nfs/dbraw/zinc/23/11/52/1172231152.db2.gz UQYSVAZMGOPOKJ-AWEZNQCLSA-N 2 2 284.787 1.822 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000273445953 365496819 /nfs/dbraw/zinc/49/68/19/365496819.db2.gz ZTJGYZUKVCLJPM-WCQYABFASA-N 2 2 292.379 1.924 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000273445953 365496827 /nfs/dbraw/zinc/49/68/27/365496827.db2.gz ZTJGYZUKVCLJPM-WCQYABFASA-N 2 2 292.379 1.924 20 10 CDCDLP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000894206263 618708449 /nfs/dbraw/zinc/70/84/49/618708449.db2.gz GGCFSEVHHHWBPT-CYBMUJFWSA-N 2 2 264.369 1.893 20 10 CDCDLP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000894206263 618708455 /nfs/dbraw/zinc/70/84/55/618708455.db2.gz GGCFSEVHHHWBPT-CYBMUJFWSA-N 2 2 264.369 1.893 20 10 CDCDLP Oc1ccc(Br)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000220220154 797659450 /nfs/dbraw/zinc/65/94/50/797659450.db2.gz PPLJFYMCVZVDHQ-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP Oc1ccc(Br)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000220220154 797659456 /nfs/dbraw/zinc/65/94/56/797659456.db2.gz PPLJFYMCVZVDHQ-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP COC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974928 797704355 /nfs/dbraw/zinc/70/43/55/797704355.db2.gz OKKPUWCRXDYFPX-IAQYHMDHSA-N 2 2 282.359 1.951 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344135 900382077 /nfs/dbraw/zinc/38/20/77/900382077.db2.gz CJMLQTXLUHNSQQ-GFCCVEGCSA-N 2 2 270.760 1.595 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344135 900382084 /nfs/dbraw/zinc/38/20/84/900382084.db2.gz CJMLQTXLUHNSQQ-GFCCVEGCSA-N 2 2 270.760 1.595 20 10 CDCDLP COc1cc(C[NH+]2CC3(COC3)C2)cc(C[NH+](C)C)c1O ZINC001139253315 936611779 /nfs/dbraw/zinc/61/17/79/936611779.db2.gz QKUYMNHDAUXFEO-UHFFFAOYSA-N 2 2 292.379 1.295 20 10 CDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841058504 936973610 /nfs/dbraw/zinc/97/36/10/936973610.db2.gz IEIPKBILJFJUOG-FZMZJTMJSA-N 2 2 265.376 1.979 20 10 CDCDLP Nc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817958843 930647028 /nfs/dbraw/zinc/64/70/28/930647028.db2.gz ZOEIOAIPAOSHKF-JKSUJKDBSA-N 2 2 275.396 1.168 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817983967 930657776 /nfs/dbraw/zinc/65/77/76/930657776.db2.gz SQCUOYNFBBJWSI-YPMHNXCESA-N 2 2 268.332 1.560 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001203599177 939695556 /nfs/dbraw/zinc/69/55/56/939695556.db2.gz BPGZBVJTSVMCSF-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1O ZINC001203599177 939695559 /nfs/dbraw/zinc/69/55/59/939695559.db2.gz BPGZBVJTSVMCSF-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001203599177 939695560 /nfs/dbraw/zinc/69/55/60/939695560.db2.gz BPGZBVJTSVMCSF-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001203599177 939695561 /nfs/dbraw/zinc/69/55/61/939695561.db2.gz BPGZBVJTSVMCSF-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001203634412 939699002 /nfs/dbraw/zinc/69/90/02/939699002.db2.gz DWKVXIYTCPKJCP-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001203634412 939699003 /nfs/dbraw/zinc/69/90/03/939699003.db2.gz DWKVXIYTCPKJCP-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(O)c1 ZINC001203634412 939699005 /nfs/dbraw/zinc/69/90/05/939699005.db2.gz DWKVXIYTCPKJCP-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(O)c1 ZINC001203634412 939699006 /nfs/dbraw/zinc/69/90/06/939699006.db2.gz DWKVXIYTCPKJCP-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205087364 939821006 /nfs/dbraw/zinc/82/10/06/939821006.db2.gz DBKMTOZFXZLDFC-JQWIXIFHSA-N 2 2 280.368 1.721 20 10 CDCDLP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205087364 939821009 /nfs/dbraw/zinc/82/10/09/939821009.db2.gz DBKMTOZFXZLDFC-JQWIXIFHSA-N 2 2 280.368 1.721 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001205763532 939933234 /nfs/dbraw/zinc/93/32/34/939933234.db2.gz QSQLGORDXHBIBQ-JTQLQIEISA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1(F)F ZINC001205763532 939933237 /nfs/dbraw/zinc/93/32/37/939933237.db2.gz QSQLGORDXHBIBQ-JTQLQIEISA-N 2 2 274.286 1.947 20 10 CDCDLP Oc1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234989613 943997354 /nfs/dbraw/zinc/99/73/54/943997354.db2.gz ASOHKRREROLKRW-CQSZACIVSA-N 2 2 299.777 1.322 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001236023814 944379832 /nfs/dbraw/zinc/37/98/32/944379832.db2.gz RNKXOSNQDNOCQG-RDTXWAMCSA-N 2 2 299.418 1.624 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001236023814 944379838 /nfs/dbraw/zinc/37/98/38/944379838.db2.gz RNKXOSNQDNOCQG-RDTXWAMCSA-N 2 2 299.418 1.624 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000227440395 333282894 /nfs/dbraw/zinc/28/28/94/333282894.db2.gz IZVPVKSOGGRFCB-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000227440395 333282895 /nfs/dbraw/zinc/28/28/95/333282895.db2.gz IZVPVKSOGGRFCB-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800646 525348753 /nfs/dbraw/zinc/34/87/53/525348753.db2.gz SKOHVERWFZRSOO-CQSZACIVSA-N 2 2 263.385 1.036 20 10 CDCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068800646 525348757 /nfs/dbraw/zinc/34/87/57/525348757.db2.gz SKOHVERWFZRSOO-CQSZACIVSA-N 2 2 263.385 1.036 20 10 CDCDLP CC(=O)c1cc(Cl)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000750040185 576972883 /nfs/dbraw/zinc/97/28/83/576972883.db2.gz UHCJVRNVLMZAID-VXGBXAGGSA-N 2 2 294.782 1.899 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2c1c(F)ccc2O ZINC000756552226 576995040 /nfs/dbraw/zinc/99/50/40/576995040.db2.gz DCVTZKMJSRBXHG-SCVCMEIPSA-N 2 2 282.359 1.592 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2cccc(F)c2O)CCC[NH2+]1 ZINC000841067957 618680574 /nfs/dbraw/zinc/68/05/74/618680574.db2.gz RJGGLETXWGQCQE-AWEZNQCLSA-N 2 2 268.332 1.390 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841045613 621589337 /nfs/dbraw/zinc/58/93/37/621589337.db2.gz YWVKOEOFGLSYHT-UHFFFAOYSA-N 2 2 269.776 1.040 20 10 CDCDLP COc1cc(C)c(C[NH2+]C[C@@]2(C)C[NH2+]CCO2)c(O)c1 ZINC001579145360 1172105828 /nfs/dbraw/zinc/10/58/28/1172105828.db2.gz ZBJHIEHSPLAHCK-OAHLLOKOSA-N 2 2 280.368 1.177 20 10 CDCDLP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C[NH+](C)C ZINC000708446186 812662381 /nfs/dbraw/zinc/66/23/81/812662381.db2.gz ZRQUDEGWOMFMRU-VIFPVBQESA-N 2 2 258.312 1.958 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC(F)F)cc2)CC1 ZINC000839093877 813887170 /nfs/dbraw/zinc/88/71/70/813887170.db2.gz YAPGDSYKALKNCP-UHFFFAOYSA-N 2 2 269.339 1.793 20 10 CDCDLP CC[N@H+](CC[NH3+])Cc1cc(OC)c(OC)cc1O ZINC000863644402 814117284 /nfs/dbraw/zinc/11/72/84/814117284.db2.gz UYPIDDBDQOVPOH-UHFFFAOYSA-N 2 2 254.330 1.190 20 10 CDCDLP CC[N@@H+](CC[NH3+])Cc1cc(OC)c(OC)cc1O ZINC000863644402 814117292 /nfs/dbraw/zinc/11/72/92/814117292.db2.gz UYPIDDBDQOVPOH-UHFFFAOYSA-N 2 2 254.330 1.190 20 10 CDCDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000796754277 817114758 /nfs/dbraw/zinc/11/47/58/817114758.db2.gz JBSLMPVADXMKAL-AAEUAGOBSA-N 2 2 270.348 1.495 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982796 818000025 /nfs/dbraw/zinc/00/00/25/818000025.db2.gz HJRATNVXIHYXBH-SWLSCSKDSA-N 2 2 263.385 1.392 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(O)ccc1O ZINC001141162076 936823084 /nfs/dbraw/zinc/82/30/84/936823084.db2.gz LCJQYAJIYXHHRM-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(O)ccc1O ZINC001141162076 936823086 /nfs/dbraw/zinc/82/30/86/936823086.db2.gz LCJQYAJIYXHHRM-UHFFFAOYSA-N 2 2 261.325 1.816 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205806920 925169555 /nfs/dbraw/zinc/16/95/55/925169555.db2.gz WPFBDICLZQNVPQ-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205806920 925169559 /nfs/dbraw/zinc/16/95/59/925169559.db2.gz WPFBDICLZQNVPQ-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP Oc1cccc(Cl)c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053805 944027855 /nfs/dbraw/zinc/02/78/55/944027855.db2.gz LDPNXFFLXOVRMQ-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1cccc(Cl)c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053805 944027861 /nfs/dbraw/zinc/02/78/61/944027861.db2.gz LDPNXFFLXOVRMQ-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176092 944080533 /nfs/dbraw/zinc/08/05/33/944080533.db2.gz VFKMRCREGBUPFU-XHDPSFHLSA-N 2 2 262.353 1.632 20 10 CDCDLP COc1cc(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176092 944080536 /nfs/dbraw/zinc/08/05/36/944080536.db2.gz VFKMRCREGBUPFU-XHDPSFHLSA-N 2 2 262.353 1.632 20 10 CDCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235342416 944127741 /nfs/dbraw/zinc/12/77/41/944127741.db2.gz NCFLGZWNPAIPAX-KRWDZBQOSA-N 3 2 288.439 1.280 20 10 CDCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235342416 944127748 /nfs/dbraw/zinc/12/77/48/944127748.db2.gz NCFLGZWNPAIPAX-KRWDZBQOSA-N 3 2 288.439 1.280 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1O ZINC000841069650 618680652 /nfs/dbraw/zinc/68/06/52/618680652.db2.gz CESUVLIPKUMSLM-JTQLQIEISA-N 2 2 273.174 1.982 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000841099708 618682119 /nfs/dbraw/zinc/68/21/19/618682119.db2.gz WERVYSUPOZFITJ-LLVKDONJSA-N 2 2 286.759 1.132 20 10 CDCDLP CCOC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045826 621588704 /nfs/dbraw/zinc/58/87/04/621588704.db2.gz QYEFEDNWTVKUMW-SWLSCSKDSA-N 2 2 265.401 1.767 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817939567 819392148 /nfs/dbraw/zinc/39/21/48/819392148.db2.gz COVDUSDHLBEFNM-NOLJZWGESA-N 2 2 277.412 1.767 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000717368892 820831282 /nfs/dbraw/zinc/83/12/82/820831282.db2.gz ULRXMHIKVKZHEE-MWLCHTKSSA-N 2 2 256.321 1.104 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175458 820937391 /nfs/dbraw/zinc/93/73/91/820937391.db2.gz KIRIKKWBIQMVND-SMDDNHRTSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175458 820937421 /nfs/dbraw/zinc/93/74/21/820937421.db2.gz KIRIKKWBIQMVND-SMDDNHRTSA-N 2 2 264.369 1.960 20 10 CDCDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(Cl)c1O ZINC000843052904 821022631 /nfs/dbraw/zinc/02/26/31/821022631.db2.gz OLJFMNPPZFNEAN-UHFFFAOYSA-N 2 2 283.803 1.383 20 10 CDCDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(Cl)c1O ZINC000843052904 821022641 /nfs/dbraw/zinc/02/26/41/821022641.db2.gz OLJFMNPPZFNEAN-UHFFFAOYSA-N 2 2 283.803 1.383 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(F)ccc1O ZINC000817984171 821898143 /nfs/dbraw/zinc/89/81/43/821898143.db2.gz VRSXNSNVKIMKKC-KOLCDFICSA-N 2 2 254.305 1.170 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204801936 906998693 /nfs/dbraw/zinc/99/86/93/906998693.db2.gz XJQRXPXBJRYTGO-AWEZNQCLSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204801936 906998706 /nfs/dbraw/zinc/99/87/06/906998706.db2.gz XJQRXPXBJRYTGO-AWEZNQCLSA-N 2 2 250.342 1.714 20 10 CDCDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205831183 925369611 /nfs/dbraw/zinc/36/96/11/925369611.db2.gz WUGPZCIOAVVIGP-ZYHUDNBSSA-N 2 2 250.342 1.657 20 10 CDCDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205831183 925369617 /nfs/dbraw/zinc/36/96/17/925369617.db2.gz WUGPZCIOAVVIGP-ZYHUDNBSSA-N 2 2 250.342 1.657 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205088736 939820942 /nfs/dbraw/zinc/82/09/42/939820942.db2.gz SDQTZDTUIQUXKX-FZMZJTMJSA-N 2 2 292.379 1.419 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205088736 939820943 /nfs/dbraw/zinc/82/09/43/939820943.db2.gz SDQTZDTUIQUXKX-FZMZJTMJSA-N 2 2 292.379 1.419 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)cc1O ZINC001235989711 944353422 /nfs/dbraw/zinc/35/34/22/944353422.db2.gz JOOGUNPWEGWNJZ-HZMBPMFUSA-N 2 2 264.325 1.030 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)cc1O ZINC001235989711 944353428 /nfs/dbraw/zinc/35/34/28/944353428.db2.gz JOOGUNPWEGWNJZ-HZMBPMFUSA-N 2 2 264.325 1.030 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029645 944384803 /nfs/dbraw/zinc/38/48/03/944384803.db2.gz UKAVGPVFYVPPFN-RHSMWYFYSA-N 2 2 287.407 1.181 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029645 944384808 /nfs/dbraw/zinc/38/48/08/944384808.db2.gz UKAVGPVFYVPPFN-RHSMWYFYSA-N 2 2 287.407 1.181 20 10 CDCDLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046893 944391590 /nfs/dbraw/zinc/39/15/90/944391590.db2.gz JJCLWRZYGDGWOD-GOEBONIOSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046893 944391601 /nfs/dbraw/zinc/39/16/01/944391601.db2.gz JJCLWRZYGDGWOD-GOEBONIOSA-N 3 2 288.439 1.265 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839334 366159462 /nfs/dbraw/zinc/15/94/62/366159462.db2.gz GIANITUMOFASPP-ZIAGYGMSSA-N 2 2 296.798 1.998 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC(F)(F)CO)cc2)CC1 ZINC000767193652 576167010 /nfs/dbraw/zinc/16/70/10/576167010.db2.gz ATYGCIOAGJDNHV-UHFFFAOYSA-N 2 2 299.365 1.156 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000841067869 618680752 /nfs/dbraw/zinc/68/07/52/618680752.db2.gz QBPDGPCYNARWLH-KRWDZBQOSA-N 2 2 291.439 1.919 20 10 CDCDLP C[C@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045177 621589810 /nfs/dbraw/zinc/58/98/10/621589810.db2.gz JAVQCRHSFDYDCT-CJNGLKHVSA-N 2 2 287.411 1.627 20 10 CDCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087781 628482644 /nfs/dbraw/zinc/48/26/44/628482644.db2.gz WNHKNZHLKBYVST-NSHDSACASA-N 2 2 288.750 1.653 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233317 828348249 /nfs/dbraw/zinc/34/82/49/828348249.db2.gz XUPYUBJTCYNWPE-CHWSQXEVSA-N 2 2 295.402 1.921 20 10 CDCDLP C[N@H+](Cc1cnc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826769767 824051390 /nfs/dbraw/zinc/05/13/90/824051390.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP C[N@@H+](Cc1cnc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826769767 824051401 /nfs/dbraw/zinc/05/14/01/824051401.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP C[N@H+](Cc1c[nH]cn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826769767 824051408 /nfs/dbraw/zinc/05/14/08/824051408.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP C[N@@H+](Cc1c[nH]cn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826769767 824051411 /nfs/dbraw/zinc/05/14/11/824051411.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 2 2 299.422 1.794 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817984397 824151025 /nfs/dbraw/zinc/15/10/25/824151025.db2.gz XOBDFIJSBSNGAV-KOLCDFICSA-N 2 2 254.305 1.170 20 10 CDCDLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Br)ccc1O ZINC000382973061 824813773 /nfs/dbraw/zinc/81/37/73/824813773.db2.gz MFBSTAHAONDGSK-MRVPVSSYSA-N 2 2 273.174 1.934 20 10 CDCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Br)ccc1O ZINC000382973061 824813778 /nfs/dbraw/zinc/81/37/78/824813778.db2.gz MFBSTAHAONDGSK-MRVPVSSYSA-N 2 2 273.174 1.934 20 10 CDCDLP COc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1O ZINC000846147058 824871805 /nfs/dbraw/zinc/87/18/05/824871805.db2.gz VFUMGHUEJAHAGE-QWHCGFSZSA-N 2 2 294.395 1.508 20 10 CDCDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)ccc1O ZINC000854232089 826741471 /nfs/dbraw/zinc/74/14/71/826741471.db2.gz LJFGJXNISQEYOA-MRVPVSSYSA-N 2 2 292.314 1.336 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966367 827568170 /nfs/dbraw/zinc/56/81/70/827568170.db2.gz MFTOTLTXEMLUPW-RKDXNWHRSA-N 2 2 252.314 1.177 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC3([NH3+])CCC3)cc2)CC1 ZINC000841049920 827834442 /nfs/dbraw/zinc/83/44/42/827834442.db2.gz XTZCNWBBPVTAOI-UHFFFAOYSA-N 3 2 288.439 1.409 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000717368887 828064684 /nfs/dbraw/zinc/06/46/84/828064684.db2.gz ULRXMHIKVKZHEE-GXSJLCMTSA-N 2 2 256.321 1.104 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842943 925445747 /nfs/dbraw/zinc/44/57/47/925445747.db2.gz QAXSSHGPNCIMNG-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842943 925445748 /nfs/dbraw/zinc/44/57/48/925445748.db2.gz QAXSSHGPNCIMNG-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855030 925574400 /nfs/dbraw/zinc/57/44/00/925574400.db2.gz LJSAKJKVTAQERW-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855030 925574406 /nfs/dbraw/zinc/57/44/06/925574406.db2.gz LJSAKJKVTAQERW-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119611920 937739118 /nfs/dbraw/zinc/73/91/18/937739118.db2.gz ZJGCHESWBPRLLG-CZUORRHYSA-N 2 2 259.397 1.984 20 10 CDCDLP COCC[N@H+](Cc1ccc(O)cc1O)C1CC[NH+](C)CC1 ZINC001204275271 939750274 /nfs/dbraw/zinc/75/02/74/939750274.db2.gz NNJVNZWJMQHBGH-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP COCC[N@@H+](Cc1ccc(O)cc1O)C1CC[NH+](C)CC1 ZINC001204275271 939750277 /nfs/dbraw/zinc/75/02/77/939750277.db2.gz NNJVNZWJMQHBGH-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP [NH3+][C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205117818 939825022 /nfs/dbraw/zinc/82/50/22/939825022.db2.gz WEPQTIVVSHGBSS-VIFPVBQESA-N 2 2 256.296 1.984 20 10 CDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205117818 939825024 /nfs/dbraw/zinc/82/50/24/939825024.db2.gz WEPQTIVVSHGBSS-VIFPVBQESA-N 2 2 256.296 1.984 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)C[C@@H]1O ZINC001206530199 940055155 /nfs/dbraw/zinc/05/51/55/940055155.db2.gz DOJKKHOMQACHOQ-ONGXEEELSA-N 2 2 290.285 1.162 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)C[C@@H]1O ZINC001206530199 940055156 /nfs/dbraw/zinc/05/51/56/940055156.db2.gz DOJKKHOMQACHOQ-ONGXEEELSA-N 2 2 290.285 1.162 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405887 365492387 /nfs/dbraw/zinc/49/23/87/365492387.db2.gz OJWPFFJYTBWPHU-DGCLKSJQSA-N 2 2 282.359 1.639 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037156904 524755743 /nfs/dbraw/zinc/75/57/43/524755743.db2.gz WDYMTPYTINUPLL-LLVKDONJSA-N 2 2 261.325 1.776 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000068800744 524763510 /nfs/dbraw/zinc/76/35/10/524763510.db2.gz VMARKXLLIVRCGL-OLZOCXBDSA-N 2 2 293.411 1.297 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800744 524763520 /nfs/dbraw/zinc/76/35/20/524763520.db2.gz VMARKXLLIVRCGL-OLZOCXBDSA-N 2 2 293.411 1.297 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068800934 525364419 /nfs/dbraw/zinc/36/44/19/525364419.db2.gz ROCNVGCTTHTGLE-UONOGXRCSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800934 525364424 /nfs/dbraw/zinc/36/44/24/525364424.db2.gz ROCNVGCTTHTGLE-UONOGXRCSA-N 2 2 277.412 1.597 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000070144851 1171644926 /nfs/dbraw/zinc/64/49/26/1171644926.db2.gz SZZYQCGWAUQAFC-PWSUYJOCSA-N 2 2 250.342 1.570 20 10 CDCDLP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000070144851 1171644934 /nfs/dbraw/zinc/64/49/34/1171644934.db2.gz SZZYQCGWAUQAFC-PWSUYJOCSA-N 2 2 250.342 1.570 20 10 CDCDLP CC[NH+]1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000037977184 1165813237 /nfs/dbraw/zinc/81/32/37/1165813237.db2.gz XSSSBTZIAXEPRG-UHFFFAOYSA-N 2 2 250.342 1.672 20 10 CDCDLP COc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000844221918 829693074 /nfs/dbraw/zinc/69/30/74/829693074.db2.gz YNMGCSRVJUMINU-CYBMUJFWSA-N 2 2 293.386 1.566 20 10 CDCDLP COc1cc(Br)cc(C[NH2+][C@H](C)C[NH3+])c1O ZINC000841059595 830285240 /nfs/dbraw/zinc/28/52/40/830285240.db2.gz GYJZIPWTAMJDRY-SSDOTTSWSA-N 2 2 289.173 1.600 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841046239 833862220 /nfs/dbraw/zinc/86/22/20/833862220.db2.gz YHWWJTOMGYWWJN-CZUORRHYSA-N 2 2 277.412 1.769 20 10 CDCDLP COc1cc(C[N@H+](C)CC(C)=O)cc(C[NH+](C)C)c1O ZINC001139254345 936611881 /nfs/dbraw/zinc/61/18/81/936611881.db2.gz HLPAIFRKQKQFEX-UHFFFAOYSA-N 2 2 280.368 1.483 20 10 CDCDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204782172 939790101 /nfs/dbraw/zinc/79/01/01/939790101.db2.gz APRRLXKWFSOTNE-INIZCTEOSA-N 3 2 274.412 1.019 20 10 CDCDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204782172 939790104 /nfs/dbraw/zinc/79/01/04/939790104.db2.gz APRRLXKWFSOTNE-INIZCTEOSA-N 3 2 274.412 1.019 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197332 939834760 /nfs/dbraw/zinc/83/47/60/939834760.db2.gz LYMUXYSJFPHARU-ZWNOBZJWSA-N 2 2 250.342 1.631 20 10 CDCDLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197332 939834761 /nfs/dbraw/zinc/83/47/61/939834761.db2.gz LYMUXYSJFPHARU-ZWNOBZJWSA-N 2 2 250.342 1.631 20 10 CDCDLP Oc1cc(O)c(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1O ZINC001254839565 947616924 /nfs/dbraw/zinc/61/69/24/947616924.db2.gz SQWSBYKHWRQBSL-CYBMUJFWSA-N 2 2 292.379 1.420 20 10 CDCDLP COc1cc(C)cc(C[NH2+][C@H]2CC[NH2+][C@@H]2C)c1O ZINC001579145842 1172106528 /nfs/dbraw/zinc/10/65/28/1172106528.db2.gz XTTYIYYMRPTGAH-PWSUYJOCSA-N 2 2 250.342 1.549 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068800504 525486488 /nfs/dbraw/zinc/48/64/88/525486488.db2.gz MLCJIKCUKIHMPS-CHWSQXEVSA-N 2 2 263.385 1.289 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068800504 525486499 /nfs/dbraw/zinc/48/64/99/525486499.db2.gz MLCJIKCUKIHMPS-CHWSQXEVSA-N 2 2 263.385 1.289 20 10 CDCDLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)c(O)c1 ZINC000729682584 574820520 /nfs/dbraw/zinc/82/05/20/574820520.db2.gz WBGGDUGZICEJED-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000729682584 574820522 /nfs/dbraw/zinc/82/05/22/574820522.db2.gz WBGGDUGZICEJED-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000841040891 618677082 /nfs/dbraw/zinc/67/70/82/618677082.db2.gz BPYIQMRAYIYBBO-PUJMQQBBSA-N 3 2 290.455 1.860 20 10 CDCDLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045176 621590333 /nfs/dbraw/zinc/59/03/33/621590333.db2.gz JAVQCRHSFDYDCT-BBRMVZONSA-N 2 2 287.411 1.627 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605770 838178756 /nfs/dbraw/zinc/17/87/56/838178756.db2.gz DHMACDULHZNZAU-BXUZGUMPSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605770 838178770 /nfs/dbraw/zinc/17/87/70/838178770.db2.gz DHMACDULHZNZAU-BXUZGUMPSA-N 2 2 250.342 1.249 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000702652491 839084542 /nfs/dbraw/zinc/08/45/42/839084542.db2.gz LISNYEKQHCAJRX-HZMBPMFUSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000702652491 839084532 /nfs/dbraw/zinc/08/45/32/839084532.db2.gz LISNYEKQHCAJRX-HZMBPMFUSA-N 2 2 268.332 1.249 20 10 CDCDLP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000226338766 839291705 /nfs/dbraw/zinc/29/17/05/839291705.db2.gz BILZQOTXMNOBLR-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000226338766 839291724 /nfs/dbraw/zinc/29/17/24/839291724.db2.gz BILZQOTXMNOBLR-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP C[NH+]1CCN(CCC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882881105 840013304 /nfs/dbraw/zinc/01/33/04/840013304.db2.gz YFMLSMOTUJAHNH-UHFFFAOYSA-N 2 2 299.365 1.398 20 10 CDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841059231 840557991 /nfs/dbraw/zinc/55/79/91/840557991.db2.gz NQUDPRAMTGFBHB-WMLDXEAASA-N 2 2 289.423 1.611 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000841035801 841088669 /nfs/dbraw/zinc/08/86/69/841088669.db2.gz MOMUCUUDEIGDSE-NSHDSACASA-N 2 2 266.341 1.251 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000862473402 842392927 /nfs/dbraw/zinc/39/29/27/842392927.db2.gz PKEFTOOLGMNQJG-GFCCVEGCSA-N 2 2 280.368 1.593 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000862473402 842392939 /nfs/dbraw/zinc/39/29/39/842392939.db2.gz PKEFTOOLGMNQJG-GFCCVEGCSA-N 2 2 280.368 1.593 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205806933 925168349 /nfs/dbraw/zinc/16/83/49/925168349.db2.gz WPFBDICLZQNVPQ-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205806933 925168353 /nfs/dbraw/zinc/16/83/53/925168353.db2.gz WPFBDICLZQNVPQ-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981370 944344249 /nfs/dbraw/zinc/34/42/49/944344249.db2.gz QFGOTTPDZBABEY-NVXWUHKLSA-N 2 2 271.408 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981370 944344254 /nfs/dbraw/zinc/34/42/54/944344254.db2.gz QFGOTTPDZBABEY-NVXWUHKLSA-N 2 2 271.408 1.992 20 10 CDCDLP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236022814 944378412 /nfs/dbraw/zinc/37/84/12/944378412.db2.gz DUADRSSWAIUZGH-CZUORRHYSA-N 2 2 275.396 1.771 20 10 CDCDLP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236022814 944378406 /nfs/dbraw/zinc/37/84/06/944378406.db2.gz DUADRSSWAIUZGH-CZUORRHYSA-N 2 2 275.396 1.771 20 10 CDCDLP CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246724 944437010 /nfs/dbraw/zinc/43/70/10/944437010.db2.gz IKPOUTQPWQFTLZ-CYBMUJFWSA-N 2 2 261.369 1.438 20 10 CDCDLP CN1CCOc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246724 944437016 /nfs/dbraw/zinc/43/70/16/944437016.db2.gz IKPOUTQPWQFTLZ-CYBMUJFWSA-N 2 2 261.369 1.438 20 10 CDCDLP Oc1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1O ZINC001254838542 947617173 /nfs/dbraw/zinc/61/71/73/947617173.db2.gz FSHUOGVISSTNQY-AWEZNQCLSA-N 2 2 276.380 1.714 20 10 CDCDLP Oc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246345122 948120636 /nfs/dbraw/zinc/12/06/36/948120636.db2.gz UUHMCWYYKLBJBV-LLVKDONJSA-N 2 2 285.185 1.996 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839337 366160016 /nfs/dbraw/zinc/16/00/16/366160016.db2.gz GIANITUMOFASPP-KGLIPLIRSA-N 2 2 296.798 1.998 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272587343 365308439 /nfs/dbraw/zinc/30/84/39/365308439.db2.gz HHVLZHRCWVDHLO-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272587343 365308444 /nfs/dbraw/zinc/30/84/44/365308444.db2.gz HHVLZHRCWVDHLO-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272587343 365308451 /nfs/dbraw/zinc/30/84/51/365308451.db2.gz HHVLZHRCWVDHLO-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272587343 365308457 /nfs/dbraw/zinc/30/84/57/365308457.db2.gz HHVLZHRCWVDHLO-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000131443939 521886869 /nfs/dbraw/zinc/88/68/69/521886869.db2.gz PAHABKWAIUXAIW-CYBMUJFWSA-N 2 2 272.776 1.448 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051761 843066222 /nfs/dbraw/zinc/06/62/22/843066222.db2.gz LNFNBNGTZMRYDJ-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051761 843066233 /nfs/dbraw/zinc/06/62/33/843066233.db2.gz LNFNBNGTZMRYDJ-AAEUAGOBSA-N 2 2 294.395 1.969 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2c(cc1O)CCCC2 ZINC000817982352 843517845 /nfs/dbraw/zinc/51/78/45/843517845.db2.gz CLUCYAHHTOEGLO-SWLSCSKDSA-N 2 2 290.407 1.910 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863651334 843626837 /nfs/dbraw/zinc/62/68/37/843626837.db2.gz GWAWSCJJMULOMA-AWEZNQCLSA-N 3 2 276.428 1.217 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863651334 843626864 /nfs/dbraw/zinc/62/68/64/843626864.db2.gz GWAWSCJJMULOMA-AWEZNQCLSA-N 3 2 276.428 1.217 20 10 CDCDLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942915 844758918 /nfs/dbraw/zinc/75/89/18/844758918.db2.gz RNHBAPVSRHZDKD-KCXAZCMYSA-N 2 2 277.412 1.767 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752221 844965103 /nfs/dbraw/zinc/96/51/03/844965103.db2.gz NBITWEQFAKIDFJ-YGRLFVJLSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752221 844965110 /nfs/dbraw/zinc/96/51/10/844965110.db2.gz NBITWEQFAKIDFJ-YGRLFVJLSA-N 2 2 284.787 1.763 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)C[C@@H](C)[NH3+])cc1OC ZINC000863651379 845845040 /nfs/dbraw/zinc/84/50/40/845845040.db2.gz HLGJZLRNAFVMJU-SECBINFHSA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])cc1OC ZINC000863651379 845845044 /nfs/dbraw/zinc/84/50/44/845845044.db2.gz HLGJZLRNAFVMJU-SECBINFHSA-N 2 2 254.330 1.188 20 10 CDCDLP COCC[NH2+]CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841048190 847469321 /nfs/dbraw/zinc/46/93/21/847469321.db2.gz MSIMAGTZOPNSST-UHFFFAOYSA-N 2 2 252.358 1.335 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205802130 925077721 /nfs/dbraw/zinc/07/77/21/925077721.db2.gz AARAAIJJFFRHEW-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205802130 925077731 /nfs/dbraw/zinc/07/77/31/925077731.db2.gz AARAAIJJFFRHEW-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206372241 940028527 /nfs/dbraw/zinc/02/85/27/940028527.db2.gz ZBGWHMKAIWGUAR-CQSZACIVSA-N 2 2 284.331 1.456 20 10 CDCDLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206372241 940028533 /nfs/dbraw/zinc/02/85/33/940028533.db2.gz ZBGWHMKAIWGUAR-CQSZACIVSA-N 2 2 284.331 1.456 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206475431 940045642 /nfs/dbraw/zinc/04/56/42/940045642.db2.gz OOPDHGOWWZUWPW-SMDDNHRTSA-N 2 2 283.803 1.157 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206475431 940045643 /nfs/dbraw/zinc/04/56/43/940045643.db2.gz OOPDHGOWWZUWPW-SMDDNHRTSA-N 2 2 283.803 1.157 20 10 CDCDLP Cc1cc(Cl)cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235059211 944035496 /nfs/dbraw/zinc/03/54/96/944035496.db2.gz CLUJESCJTSLDGY-HNNXBMFYSA-N 2 2 295.814 1.491 20 10 CDCDLP Cc1cc(Cl)cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235059211 944035504 /nfs/dbraw/zinc/03/55/04/944035504.db2.gz CLUJESCJTSLDGY-HNNXBMFYSA-N 2 2 295.814 1.491 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236868636 944594642 /nfs/dbraw/zinc/59/46/42/944594642.db2.gz OOYZOOMIUSTLJG-HNNXBMFYSA-N 3 2 276.428 1.265 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236868636 944594649 /nfs/dbraw/zinc/59/46/49/944594649.db2.gz OOYZOOMIUSTLJG-HNNXBMFYSA-N 3 2 276.428 1.265 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610931 365511915 /nfs/dbraw/zinc/51/19/15/365511915.db2.gz VTWVESFEYFFBDP-AAEUAGOBSA-N 2 2 297.830 1.942 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610931 365511923 /nfs/dbraw/zinc/51/19/23/365511923.db2.gz VTWVESFEYFFBDP-AAEUAGOBSA-N 2 2 297.830 1.942 20 10 CDCDLP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1O ZINC000124817102 391227047 /nfs/dbraw/zinc/22/70/47/391227047.db2.gz GROVLMBEKRFLSG-AWEZNQCLSA-N 2 2 263.385 1.036 20 10 CDCDLP Cc1cccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1O ZINC000124817102 391227049 /nfs/dbraw/zinc/22/70/49/391227049.db2.gz GROVLMBEKRFLSG-AWEZNQCLSA-N 2 2 263.385 1.036 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000158135619 392421615 /nfs/dbraw/zinc/42/16/15/392421615.db2.gz FONGDJPMYXISOB-OLZOCXBDSA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000158135619 392421623 /nfs/dbraw/zinc/42/16/23/392421623.db2.gz FONGDJPMYXISOB-OLZOCXBDSA-N 2 2 296.798 1.998 20 10 CDCDLP Cc1ccc(O)c(C[NH2+]CCC[NH+]2CCOCC2)c1 ZINC000071406594 176155730 /nfs/dbraw/zinc/15/57/30/176155730.db2.gz LBSNLQWQWPFPLJ-UHFFFAOYSA-N 2 2 264.369 1.513 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068800931 525360106 /nfs/dbraw/zinc/36/01/06/525360106.db2.gz ROCNVGCTTHTGLE-ZIAGYGMSSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800931 525360112 /nfs/dbraw/zinc/36/01/12/525360112.db2.gz ROCNVGCTTHTGLE-ZIAGYGMSSA-N 2 2 277.412 1.597 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618237 525398818 /nfs/dbraw/zinc/39/88/18/525398818.db2.gz DDGDQEYVHYGYTN-WCQYABFASA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618237 525398821 /nfs/dbraw/zinc/39/88/21/525398821.db2.gz DDGDQEYVHYGYTN-WCQYABFASA-N 2 2 281.375 1.428 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000068800527 525732049 /nfs/dbraw/zinc/73/20/49/525732049.db2.gz KPPGIUKOZPLNFD-KGLIPLIRSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000068800527 525732055 /nfs/dbraw/zinc/73/20/55/525732055.db2.gz KPPGIUKOZPLNFD-KGLIPLIRSA-N 2 2 277.412 1.597 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000050250416 697902769 /nfs/dbraw/zinc/90/27/69/697902769.db2.gz NQGYEHXLHVPXTN-SNVBAGLBSA-N 2 2 266.316 1.515 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000050250416 697902776 /nfs/dbraw/zinc/90/27/76/697902776.db2.gz NQGYEHXLHVPXTN-SNVBAGLBSA-N 2 2 266.316 1.515 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817984395 697939948 /nfs/dbraw/zinc/93/99/48/697939948.db2.gz XOBDFIJSBSNGAV-GXSJLCMTSA-N 2 2 254.305 1.170 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1C ZINC000841098124 848657241 /nfs/dbraw/zinc/65/72/41/848657241.db2.gz CRRJOUKIOQTUII-CYBMUJFWSA-N 2 2 250.342 1.087 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843045453 848739519 /nfs/dbraw/zinc/73/95/19/848739519.db2.gz RIMDHGRYTJVTHE-CQSZACIVSA-N 2 2 261.369 1.056 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843045453 848739529 /nfs/dbraw/zinc/73/95/29/848739529.db2.gz RIMDHGRYTJVTHE-CQSZACIVSA-N 2 2 261.369 1.056 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1F ZINC000841037072 850064236 /nfs/dbraw/zinc/06/42/36/850064236.db2.gz YHKCUIMVGXBEOJ-GFCCVEGCSA-N 2 2 251.349 1.733 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054989 850383404 /nfs/dbraw/zinc/38/34/04/850383404.db2.gz BTFJPCCICQZYTR-KRWDZBQOSA-N 2 2 289.423 1.707 20 10 CDCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054989 850383408 /nfs/dbraw/zinc/38/34/08/850383408.db2.gz BTFJPCCICQZYTR-KRWDZBQOSA-N 2 2 289.423 1.707 20 10 CDCDLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001206351386 915672674 /nfs/dbraw/zinc/67/26/74/915672674.db2.gz CGBWPHZDRAMSEI-CQSZACIVSA-N 2 2 268.332 1.751 20 10 CDCDLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001206351386 915672682 /nfs/dbraw/zinc/67/26/82/915672682.db2.gz CGBWPHZDRAMSEI-CQSZACIVSA-N 2 2 268.332 1.751 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001205973297 930441195 /nfs/dbraw/zinc/44/11/95/930441195.db2.gz NGEDNCGNGAAOAP-ZYHUDNBSSA-N 2 2 290.285 1.305 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001205973297 930441205 /nfs/dbraw/zinc/44/12/05/930441205.db2.gz NGEDNCGNGAAOAP-ZYHUDNBSSA-N 2 2 290.285 1.305 20 10 CDCDLP CC1(C[NH3+])C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206722634 940081874 /nfs/dbraw/zinc/08/18/74/940081874.db2.gz DVYIHIAIUUHUOC-UHFFFAOYSA-N 2 2 289.423 1.428 20 10 CDCDLP CCc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511173 941606673 /nfs/dbraw/zinc/60/66/73/941606673.db2.gz RPYLWFAVOKEICX-HOTGVXAUSA-N 2 2 289.423 1.480 20 10 CDCDLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419163 944491407 /nfs/dbraw/zinc/49/14/07/944491407.db2.gz HBCWMMXXAKNVGK-YOEHRIQHSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419163 944491413 /nfs/dbraw/zinc/49/14/13/944491413.db2.gz HBCWMMXXAKNVGK-YOEHRIQHSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1O ZINC001325720694 954044164 /nfs/dbraw/zinc/04/41/64/954044164.db2.gz GCIMOWXDJSXPOZ-XUJCCDQDSA-N 2 2 254.280 1.539 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(O)c1OC ZINC000892720825 617648129 /nfs/dbraw/zinc/64/81/29/617648129.db2.gz GIYDOBONQHCRLR-LBPRGKRZSA-N 2 2 280.368 1.593 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(O)c1OC ZINC000892720825 617648138 /nfs/dbraw/zinc/64/81/38/617648138.db2.gz GIYDOBONQHCRLR-LBPRGKRZSA-N 2 2 280.368 1.593 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841071701 618681740 /nfs/dbraw/zinc/68/17/40/618681740.db2.gz IXBIPKCNHROFRJ-VIFPVBQESA-N 2 2 269.301 1.136 20 10 CDCDLP C[C@H](CCCC[NH3+])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939163 705761191 /nfs/dbraw/zinc/76/11/91/705761191.db2.gz AAMYSYNEGQORCW-CJNGLKHVSA-N 3 2 278.444 1.860 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981040 705767121 /nfs/dbraw/zinc/76/71/21/705767121.db2.gz XTQKXNWQHHJULL-DYVFJYSZSA-N 2 2 291.439 1.858 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981040 705767129 /nfs/dbraw/zinc/76/71/29/705767129.db2.gz XTQKXNWQHHJULL-DYVFJYSZSA-N 2 2 291.439 1.858 20 10 CDCDLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942916 705985142 /nfs/dbraw/zinc/98/51/42/705985142.db2.gz RNHBAPVSRHZDKD-UHOFOFEASA-N 2 2 277.412 1.767 20 10 CDCDLP C[NH2+]CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841034839 706247757 /nfs/dbraw/zinc/24/77/57/706247757.db2.gz FXSZNIOJFSCHJD-UHFFFAOYSA-N 2 2 289.173 1.472 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277429 710327126 /nfs/dbraw/zinc/32/71/26/710327126.db2.gz KKLUHUGRBIVCKC-ZSHCYNCHSA-N 2 2 259.397 1.744 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277429 710327129 /nfs/dbraw/zinc/32/71/29/710327129.db2.gz KKLUHUGRBIVCKC-ZSHCYNCHSA-N 2 2 259.397 1.744 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000817983792 711802847 /nfs/dbraw/zinc/80/28/47/711802847.db2.gz QLJZZUACPGRDIP-VXGBXAGGSA-N 2 2 250.342 1.340 20 10 CDCDLP CN(C)c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846876391 711816337 /nfs/dbraw/zinc/81/63/37/711816337.db2.gz RGRAFYDYYQPKMQ-UHFFFAOYSA-N 2 2 285.395 1.798 20 10 CDCDLP COc1cc(C[N@H+](C)C2COC2)cc(C[NH+](C)C)c1O ZINC001139256904 936611776 /nfs/dbraw/zinc/61/17/76/936611776.db2.gz MMRKQXLOEQGPDI-UHFFFAOYSA-N 2 2 280.368 1.293 20 10 CDCDLP COc1cc(C[N@@H+](C)C2COC2)cc(C[NH+](C)C)c1O ZINC001139256904 936611777 /nfs/dbraw/zinc/61/17/77/936611777.db2.gz MMRKQXLOEQGPDI-UHFFFAOYSA-N 2 2 280.368 1.293 20 10 CDCDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204939290 939806882 /nfs/dbraw/zinc/80/68/82/939806882.db2.gz QIIXHASVOIWQPK-QGZVFWFLSA-N 3 2 288.439 1.409 20 10 CDCDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204939290 939806883 /nfs/dbraw/zinc/80/68/83/939806883.db2.gz QIIXHASVOIWQPK-QGZVFWFLSA-N 3 2 288.439 1.409 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205807392 939939257 /nfs/dbraw/zinc/93/92/57/939939257.db2.gz ZZNNRFKIIXBOKP-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205807392 939939259 /nfs/dbraw/zinc/93/92/59/939939259.db2.gz ZZNNRFKIIXBOKP-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)cc1O ZINC001205827961 939941547 /nfs/dbraw/zinc/94/15/47/939941547.db2.gz IIGYWEAZBJYJCT-ZYHUDNBSSA-N 2 2 280.368 1.666 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)cc1O ZINC001205827961 939941551 /nfs/dbraw/zinc/94/15/51/939941551.db2.gz IIGYWEAZBJYJCT-ZYHUDNBSSA-N 2 2 280.368 1.666 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001206102235 939980975 /nfs/dbraw/zinc/98/09/75/939980975.db2.gz UMLBMHYTBZKGDO-IAGOWNOFSA-N 2 2 298.386 1.953 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001206102235 939980977 /nfs/dbraw/zinc/98/09/77/939980977.db2.gz UMLBMHYTBZKGDO-IAGOWNOFSA-N 2 2 298.386 1.953 20 10 CDCDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990632 944355842 /nfs/dbraw/zinc/35/58/42/944355842.db2.gz KLSLXEODCPLWNK-NVXWUHKLSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990632 944355850 /nfs/dbraw/zinc/35/58/50/944355850.db2.gz KLSLXEODCPLWNK-NVXWUHKLSA-N 3 2 286.423 1.019 20 10 CDCDLP CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001255422556 947868977 /nfs/dbraw/zinc/86/89/77/947868977.db2.gz ZGCIXBGIKBIUGN-MRXNPFEDSA-N 2 2 289.423 1.650 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(C)c1O ZINC000187569415 357780185 /nfs/dbraw/zinc/78/01/85/357780185.db2.gz NFYRJQQNTOGNMD-UHFFFAOYSA-N 2 2 252.358 1.104 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000273393087 292014068 /nfs/dbraw/zinc/01/40/68/292014068.db2.gz LFHUHWYVSZOBIT-NSHDSACASA-N 2 2 292.379 1.924 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1OC ZINC000271807696 328197415 /nfs/dbraw/zinc/19/74/15/328197415.db2.gz LPGJMSYLKMGASH-WCQYABFASA-N 2 2 292.379 1.593 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1OC ZINC000271807696 328197417 /nfs/dbraw/zinc/19/74/17/328197417.db2.gz LPGJMSYLKMGASH-WCQYABFASA-N 2 2 292.379 1.593 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1 ZINC000769441072 576353969 /nfs/dbraw/zinc/35/39/69/576353969.db2.gz GMNVZHPNZJDZBS-SWLSCSKDSA-N 2 2 276.380 1.975 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742375018 576598641 /nfs/dbraw/zinc/59/86/41/576598641.db2.gz KUHPGLPMUBVXQN-RYUDHWBXSA-N 2 2 264.369 1.973 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742375018 576598643 /nfs/dbraw/zinc/59/86/43/576598643.db2.gz KUHPGLPMUBVXQN-RYUDHWBXSA-N 2 2 264.369 1.973 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817964979 712062739 /nfs/dbraw/zinc/06/27/39/712062739.db2.gz LVLNCPSRCCGVHG-GFCCVEGCSA-N 2 2 252.358 1.587 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000817965447 712219390 /nfs/dbraw/zinc/21/93/90/712219390.db2.gz VAKOEXRRQACCOL-JTQLQIEISA-N 2 2 278.352 1.711 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000809972077 712339090 /nfs/dbraw/zinc/33/90/90/712339090.db2.gz QHFBJHVEBPQARM-DGCLKSJQSA-N 2 2 294.395 1.507 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000809972077 712339092 /nfs/dbraw/zinc/33/90/92/712339092.db2.gz QHFBJHVEBPQARM-DGCLKSJQSA-N 2 2 294.395 1.507 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356123 712357067 /nfs/dbraw/zinc/35/70/67/712357067.db2.gz GEEJTWITIMSWMS-OCCSQVGLSA-N 2 2 264.369 1.720 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356123 712357068 /nfs/dbraw/zinc/35/70/68/712357068.db2.gz GEEJTWITIMSWMS-OCCSQVGLSA-N 2 2 264.369 1.720 20 10 CDCDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843441 712712227 /nfs/dbraw/zinc/71/22/27/712712227.db2.gz CMWMBOHDCOTSCW-NWDGAFQWSA-N 2 2 282.384 1.364 20 10 CDCDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843441 712712228 /nfs/dbraw/zinc/71/22/28/712712228.db2.gz CMWMBOHDCOTSCW-NWDGAFQWSA-N 2 2 282.384 1.364 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839495 712713860 /nfs/dbraw/zinc/71/38/60/712713860.db2.gz WLZQDQUSSSRVSI-HZPDHXFCSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839495 712713861 /nfs/dbraw/zinc/71/38/61/712713861.db2.gz WLZQDQUSSSRVSI-HZPDHXFCSA-N 2 2 290.407 1.956 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831476 936416382 /nfs/dbraw/zinc/41/63/82/936416382.db2.gz AWUDCEBCYDNVOA-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817934632 930636572 /nfs/dbraw/zinc/63/65/72/930636572.db2.gz LXHXSOVEYFGQFP-LLVKDONJSA-N 2 2 267.348 1.272 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817965044 930653003 /nfs/dbraw/zinc/65/30/03/930653003.db2.gz NXLGLZZIZZMASA-LBPRGKRZSA-N 2 2 250.342 1.205 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000817983791 930658221 /nfs/dbraw/zinc/65/82/21/930658221.db2.gz QLJZZUACPGRDIP-RYUDHWBXSA-N 2 2 250.342 1.340 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205807394 939939390 /nfs/dbraw/zinc/93/93/90/939939390.db2.gz ZZNNRFKIIXBOKP-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205807394 939939391 /nfs/dbraw/zinc/93/93/91/939939391.db2.gz ZZNNRFKIIXBOKP-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829992 939942356 /nfs/dbraw/zinc/94/23/56/939942356.db2.gz QLFGAQCTYPFWAY-NXEZZACHSA-N 2 2 266.341 1.363 20 10 CDCDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829992 939942359 /nfs/dbraw/zinc/94/23/59/939942359.db2.gz QLFGAQCTYPFWAY-NXEZZACHSA-N 2 2 266.341 1.363 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253191564 951790134 /nfs/dbraw/zinc/79/01/34/951790134.db2.gz AALOQLVVYVTBIK-QGZVFWFLSA-N 2 2 293.455 1.887 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253191564 951790141 /nfs/dbraw/zinc/79/01/41/951790141.db2.gz AALOQLVVYVTBIK-QGZVFWFLSA-N 2 2 293.455 1.887 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[NH2+]2)c1O ZINC001579551574 1172209955 /nfs/dbraw/zinc/20/99/55/1172209955.db2.gz NEHKIFCAERGUPZ-LLVKDONJSA-N 2 2 285.185 1.915 20 10 CDCDLP Oc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000179580055 391213015 /nfs/dbraw/zinc/21/30/15/391213015.db2.gz DJDUVHJZLRUMMG-CQSZACIVSA-N 2 2 276.380 1.546 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068800503 525396749 /nfs/dbraw/zinc/39/67/49/525396749.db2.gz MLCJIKCUKIHMPS-QWHCGFSZSA-N 2 2 263.385 1.289 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068800503 525396755 /nfs/dbraw/zinc/39/67/55/525396755.db2.gz MLCJIKCUKIHMPS-QWHCGFSZSA-N 2 2 263.385 1.289 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCC[NH2+]1 ZINC000841067710 621703640 /nfs/dbraw/zinc/70/36/40/621703640.db2.gz OWMKRNFFWHQFLK-MRXNPFEDSA-N 2 2 278.396 1.862 20 10 CDCDLP [NH3+]C1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000906511203 627298315 /nfs/dbraw/zinc/29/83/15/627298315.db2.gz YGNZKMFSTIJDRR-UHFFFAOYSA-N 2 2 271.158 1.734 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000843043801 937105740 /nfs/dbraw/zinc/10/57/40/937105740.db2.gz IAKSVQVMCJKYNI-INIZCTEOSA-N 3 2 288.439 1.362 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000843120888 937114131 /nfs/dbraw/zinc/11/41/31/937114131.db2.gz XMBGNFXCLJOJRL-AWEZNQCLSA-N 2 2 263.385 1.084 20 10 CDCDLP Cc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000843120888 937114134 /nfs/dbraw/zinc/11/41/34/937114134.db2.gz XMBGNFXCLJOJRL-AWEZNQCLSA-N 2 2 263.385 1.084 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362684 937142910 /nfs/dbraw/zinc/14/29/10/937142910.db2.gz NPFXUSHNUFQARO-KOLCDFICSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362684 937142913 /nfs/dbraw/zinc/14/29/13/937142913.db2.gz NPFXUSHNUFQARO-KOLCDFICSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364496 937143249 /nfs/dbraw/zinc/14/32/49/937143249.db2.gz KNZFKTGZVKDVHZ-KOLCDFICSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364496 937143252 /nfs/dbraw/zinc/14/32/52/937143252.db2.gz KNZFKTGZVKDVHZ-KOLCDFICSA-N 2 2 280.343 1.903 20 10 CDCDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000796936122 937317126 /nfs/dbraw/zinc/31/71/26/937317126.db2.gz DSRVMCVTWIXOSM-DZGCQCFKSA-N 2 2 282.359 1.639 20 10 CDCDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000796936122 937317131 /nfs/dbraw/zinc/31/71/31/937317131.db2.gz DSRVMCVTWIXOSM-DZGCQCFKSA-N 2 2 282.359 1.639 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1O ZINC000133087442 930310492 /nfs/dbraw/zinc/31/04/92/930310492.db2.gz QMMQQGKVOHNMRP-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c1O ZINC000133087442 930310501 /nfs/dbraw/zinc/31/05/01/930310501.db2.gz QMMQQGKVOHNMRP-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817982454 930657752 /nfs/dbraw/zinc/65/77/52/930657752.db2.gz SPCCGDCMNMWMRR-GXTWGEPZSA-N 2 2 282.359 1.951 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982329 930658338 /nfs/dbraw/zinc/65/83/38/930658338.db2.gz CFRUJTMRIBTRSQ-HOTGVXAUSA-N 2 2 277.412 1.782 20 10 CDCDLP OCC[NH2+]C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000686283450 934029775 /nfs/dbraw/zinc/02/97/75/934029775.db2.gz YOLKFZXOZOAHRA-UHFFFAOYSA-N 2 2 284.787 1.592 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205896122 939953681 /nfs/dbraw/zinc/95/36/81/939953681.db2.gz WFUXYDXVMQYFFF-RISCZKNCSA-N 2 2 292.379 1.277 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205896122 939953683 /nfs/dbraw/zinc/95/36/83/939953683.db2.gz WFUXYDXVMQYFFF-RISCZKNCSA-N 2 2 292.379 1.277 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236253235 944438533 /nfs/dbraw/zinc/43/85/33/944438533.db2.gz STXGYSMAAWDACI-CYBMUJFWSA-N 2 2 278.352 1.031 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236253235 944438535 /nfs/dbraw/zinc/43/85/35/944438535.db2.gz STXGYSMAAWDACI-CYBMUJFWSA-N 2 2 278.352 1.031 20 10 CDCDLP CCOc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246945185 948534516 /nfs/dbraw/zinc/53/45/16/948534516.db2.gz FOKQEVOSLJCTON-UHFFFAOYSA-N 2 2 289.423 1.959 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130285 522634797 /nfs/dbraw/zinc/63/47/97/522634797.db2.gz OXYUAJPUBJPOIO-HOCLYGCPSA-N 2 2 291.439 1.987 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130285 522634812 /nfs/dbraw/zinc/63/48/12/522634812.db2.gz OXYUAJPUBJPOIO-HOCLYGCPSA-N 2 2 291.439 1.987 20 10 CDCDLP CN(Cc1c[nH+]cn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221258 576560650 /nfs/dbraw/zinc/56/06/50/576560650.db2.gz CKJRAODCMLUPCP-UHFFFAOYSA-N 2 2 288.395 1.997 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000756554877 576995384 /nfs/dbraw/zinc/99/53/84/576995384.db2.gz JVKLLICYMFTDSO-GXSJLCMTSA-N 2 2 272.776 1.619 20 10 CDCDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044783 618678385 /nfs/dbraw/zinc/67/83/85/618678385.db2.gz HPJLJUJMMDFWOR-SNVBAGLBSA-N 2 2 271.158 1.606 20 10 CDCDLP CN(C)c1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001203936462 939715271 /nfs/dbraw/zinc/71/52/71/939715271.db2.gz GZXUJWJBWOKLQB-UHFFFAOYSA-N 2 2 288.439 1.184 20 10 CDCDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001210496458 940694304 /nfs/dbraw/zinc/69/43/04/940694304.db2.gz HDWOCEBWQUACDJ-GFCCVEGCSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001210496458 940694306 /nfs/dbraw/zinc/69/43/06/940694306.db2.gz HDWOCEBWQUACDJ-GFCCVEGCSA-N 3 2 291.395 1.058 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001232841188 943416954 /nfs/dbraw/zinc/41/69/54/943416954.db2.gz XGFYNHWAYGFBFR-CJNGLKHVSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001232841188 943416956 /nfs/dbraw/zinc/41/69/56/943416956.db2.gz XGFYNHWAYGFBFR-CJNGLKHVSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(O)c1 ZINC001232841188 943416959 /nfs/dbraw/zinc/41/69/59/943416959.db2.gz XGFYNHWAYGFBFR-CJNGLKHVSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC001232841188 943416960 /nfs/dbraw/zinc/41/69/60/943416960.db2.gz XGFYNHWAYGFBFR-CJNGLKHVSA-N 2 2 289.423 1.984 20 10 CDCDLP Cc1cc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235157337 944074426 /nfs/dbraw/zinc/07/44/26/944074426.db2.gz CUFZTQRDTZZDSJ-GOEBONIOSA-N 2 2 259.397 1.984 20 10 CDCDLP Cc1cc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235157337 944074432 /nfs/dbraw/zinc/07/44/32/944074432.db2.gz CUFZTQRDTZZDSJ-GOEBONIOSA-N 2 2 259.397 1.984 20 10 CDCDLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046894 944392307 /nfs/dbraw/zinc/39/23/07/944392307.db2.gz JJCLWRZYGDGWOD-HOCLYGCPSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236046894 944392309 /nfs/dbraw/zinc/39/23/09/944392309.db2.gz JJCLWRZYGDGWOD-HOCLYGCPSA-N 3 2 288.439 1.265 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667515 334384554 /nfs/dbraw/zinc/38/45/54/334384554.db2.gz KTEQJBKGUKNEFB-UONOGXRCSA-N 2 2 262.353 1.345 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667515 334384556 /nfs/dbraw/zinc/38/45/56/334384556.db2.gz KTEQJBKGUKNEFB-UONOGXRCSA-N 2 2 262.353 1.345 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130288 522620667 /nfs/dbraw/zinc/62/06/67/522620667.db2.gz OXYUAJPUBJPOIO-ZBFHGGJFSA-N 2 2 291.439 1.987 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C)cc1O ZINC000280130288 522620676 /nfs/dbraw/zinc/62/06/76/522620676.db2.gz OXYUAJPUBJPOIO-ZBFHGGJFSA-N 2 2 291.439 1.987 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119082 524769995 /nfs/dbraw/zinc/76/99/95/524769995.db2.gz QMFDOKJFJHEEDJ-NSHDSACASA-N 2 2 261.325 1.948 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1F ZINC000733327250 575114775 /nfs/dbraw/zinc/11/47/75/575114775.db2.gz QOTCCYLKWIWBIV-GFCCVEGCSA-N 2 2 251.349 1.685 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1F ZINC000733327250 575114777 /nfs/dbraw/zinc/11/47/77/575114777.db2.gz QOTCCYLKWIWBIV-GFCCVEGCSA-N 2 2 251.349 1.685 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756551787 576995231 /nfs/dbraw/zinc/99/52/31/576995231.db2.gz AQBKVHOZUFDMMH-PSASIEDQSA-N 2 2 274.311 1.244 20 10 CDCDLP COc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841065042 621641042 /nfs/dbraw/zinc/64/10/42/621641042.db2.gz LKZYBWZFNDLIJG-ZYHUDNBSSA-N 2 2 250.342 1.631 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000131348250 679577433 /nfs/dbraw/zinc/57/74/33/679577433.db2.gz RCHBNJMJEGVSDN-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC000131348250 679577437 /nfs/dbraw/zinc/57/74/37/679577437.db2.gz RCHBNJMJEGVSDN-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP Oc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848526369 677934375 /nfs/dbraw/zinc/93/43/75/677934375.db2.gz YAPVZNCATZLGIG-HNNXBMFYSA-N 2 2 276.380 1.735 20 10 CDCDLP [NH3+][C@H](C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000841048915 677733396 /nfs/dbraw/zinc/73/33/96/677733396.db2.gz GQWYIPBJEIELPJ-LLVKDONJSA-N 2 2 285.185 1.982 20 10 CDCDLP Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079608 677899128 /nfs/dbraw/zinc/89/91/28/677899128.db2.gz KBXLIQPOFRGOBW-IYOMYWLESA-N 2 2 256.708 1.492 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1 ZINC000717355857 678499062 /nfs/dbraw/zinc/49/90/62/678499062.db2.gz XALNTWXVPWQRDB-RYUDHWBXSA-N 2 2 252.358 1.274 20 10 CDCDLP C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@@H](C[NH3+])C1 ZINC000226610166 678930748 /nfs/dbraw/zinc/93/07/48/678930748.db2.gz BVQGBGHOSFMQGB-LBPRGKRZSA-N 2 2 269.776 1.120 20 10 CDCDLP C[N@H+]1CCN(Cc2cc(Cl)ccc2O)[C@@H](C[NH3+])C1 ZINC000226610166 678930749 /nfs/dbraw/zinc/93/07/49/678930749.db2.gz BVQGBGHOSFMQGB-LBPRGKRZSA-N 2 2 269.776 1.120 20 10 CDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898885 679050725 /nfs/dbraw/zinc/05/07/25/679050725.db2.gz CCZYDYZHKDEHNO-JSGCOSHPSA-N 2 2 295.402 1.748 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000817894700 679227570 /nfs/dbraw/zinc/22/75/70/679227570.db2.gz PZDYOFWXVMGWPG-HOCLYGCPSA-N 2 2 291.439 1.918 20 10 CDCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@H]2C1 ZINC001138131436 936476929 /nfs/dbraw/zinc/47/69/29/936476929.db2.gz ZRNKNOPXJDHNAT-CHWSQXEVSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[NH2+]CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841037721 936973133 /nfs/dbraw/zinc/97/31/33/936973133.db2.gz UEDJQGPWLGHZKD-UHFFFAOYSA-N 2 2 258.749 1.753 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205888809 939951644 /nfs/dbraw/zinc/95/16/44/939951644.db2.gz KXUAYSMJGSWIHD-RISCZKNCSA-N 2 2 264.369 1.960 20 10 CDCDLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205888809 939951645 /nfs/dbraw/zinc/95/16/45/939951645.db2.gz KXUAYSMJGSWIHD-RISCZKNCSA-N 2 2 264.369 1.960 20 10 CDCDLP Nc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235231977 944099907 /nfs/dbraw/zinc/09/99/07/944099907.db2.gz RFXARBIKGWTUST-AAEUAGOBSA-N 2 2 285.313 1.853 20 10 CDCDLP Nc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235231977 944099915 /nfs/dbraw/zinc/09/99/15/944099915.db2.gz RFXARBIKGWTUST-AAEUAGOBSA-N 2 2 285.313 1.853 20 10 CDCDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977675 944342487 /nfs/dbraw/zinc/34/24/87/944342487.db2.gz HDUCSXCNUHQPSZ-WBVHZDCISA-N 2 2 287.407 1.446 20 10 CDCDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977675 944342495 /nfs/dbraw/zinc/34/24/95/944342495.db2.gz HDUCSXCNUHQPSZ-WBVHZDCISA-N 2 2 287.407 1.446 20 10 CDCDLP COc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)c(C)c1 ZINC001246935905 948529990 /nfs/dbraw/zinc/52/99/90/948529990.db2.gz TVBYVOIZMZRREV-UHFFFAOYSA-N 2 2 289.423 1.878 20 10 CDCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872622 365427651 /nfs/dbraw/zinc/42/76/51/365427651.db2.gz OYQFVJOKDYIGBA-GXTWGEPZSA-N 2 2 291.395 1.383 20 10 CDCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872622 365427656 /nfs/dbraw/zinc/42/76/56/365427656.db2.gz OYQFVJOKDYIGBA-GXTWGEPZSA-N 2 2 291.395 1.383 20 10 CDCDLP CCOc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000071309214 176116833 /nfs/dbraw/zinc/11/68/33/176116833.db2.gz LXVFGRWJMZRALE-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1O ZINC000071309214 176116834 /nfs/dbraw/zinc/11/68/34/176116834.db2.gz LXVFGRWJMZRALE-LBPRGKRZSA-N 2 2 250.342 1.585 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278911120 521880152 /nfs/dbraw/zinc/88/01/52/521880152.db2.gz SPMIUTXEDLZMBQ-JTQLQIEISA-N 2 2 297.355 1.739 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068801429 522635919 /nfs/dbraw/zinc/63/59/19/522635919.db2.gz SEICTMSSDSEJQC-ZFWWWQNUSA-N 2 2 277.412 1.679 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068801429 522635927 /nfs/dbraw/zinc/63/59/27/522635927.db2.gz SEICTMSSDSEJQC-ZFWWWQNUSA-N 2 2 277.412 1.679 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC000843047399 618689334 /nfs/dbraw/zinc/68/93/34/618689334.db2.gz NQWUUMCPZFCRSA-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC000843047399 618689338 /nfs/dbraw/zinc/68/93/38/618689338.db2.gz NQWUUMCPZFCRSA-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP Oc1c(F)cccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125179 679813126 /nfs/dbraw/zinc/81/31/26/679813126.db2.gz ZROCDYXNFUVYIZ-CYBMUJFWSA-N 2 2 279.359 1.011 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364495 679816843 /nfs/dbraw/zinc/81/68/43/679816843.db2.gz KNZFKTGZVKDVHZ-GXSJLCMTSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364495 679816844 /nfs/dbraw/zinc/81/68/44/679816844.db2.gz KNZFKTGZVKDVHZ-GXSJLCMTSA-N 2 2 280.343 1.903 20 10 CDCDLP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1N1CCOCC1 ZINC000841037051 681937003 /nfs/dbraw/zinc/93/70/03/681937003.db2.gz YGCCOOHBJCISJW-AWEZNQCLSA-N 2 2 293.386 1.504 20 10 CDCDLP Cn1cc([C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2[NH3+])cn1 ZINC000818431851 682630870 /nfs/dbraw/zinc/63/08/70/682630870.db2.gz VFXRFHRTAVOCBX-UONOGXRCSA-N 2 2 272.352 1.052 20 10 CDCDLP Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2[NH3+])cn1 ZINC000818431851 682630871 /nfs/dbraw/zinc/63/08/71/682630871.db2.gz VFXRFHRTAVOCBX-UONOGXRCSA-N 2 2 272.352 1.052 20 10 CDCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603885 922576212 /nfs/dbraw/zinc/57/62/12/922576212.db2.gz ONAFPZNDDTWMAW-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603885 922576223 /nfs/dbraw/zinc/57/62/23/922576223.db2.gz ONAFPZNDDTWMAW-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP C[NH+](C)CCN1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276360498 935058558 /nfs/dbraw/zinc/05/85/58/935058558.db2.gz UQAIZTIUHFXJBV-UHFFFAOYSA-N 2 2 293.386 1.353 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC12CC2 ZINC001204903956 939804380 /nfs/dbraw/zinc/80/43/80/939804380.db2.gz HRILUOZTSGAQNM-MRXNPFEDSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC12CC2 ZINC001204903956 939804384 /nfs/dbraw/zinc/80/43/84/939804384.db2.gz HRILUOZTSGAQNM-MRXNPFEDSA-N 3 2 286.423 1.019 20 10 CDCDLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233485847 943593551 /nfs/dbraw/zinc/59/35/51/943593551.db2.gz NFWHPPPECBKVII-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233485847 943593558 /nfs/dbraw/zinc/59/35/58/943593558.db2.gz NFWHPPPECBKVII-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)cc1O ZINC001236247665 944436767 /nfs/dbraw/zinc/43/67/67/944436767.db2.gz VPYNVONHPANQFL-SNVBAGLBSA-N 2 2 252.314 1.030 20 10 CDCDLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)cc1O ZINC001236247665 944436772 /nfs/dbraw/zinc/43/67/72/944436772.db2.gz VPYNVONHPANQFL-SNVBAGLBSA-N 2 2 252.314 1.030 20 10 CDCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246172205 948006872 /nfs/dbraw/zinc/00/68/72/948006872.db2.gz GOSIRORIGJXYDY-INIZCTEOSA-N 3 2 288.439 1.328 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000756492021 576991984 /nfs/dbraw/zinc/99/19/84/576991984.db2.gz YTTZQGOAZDFPDQ-ZDUSSCGKSA-N 2 2 291.395 1.125 20 10 CDCDLP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841044501 618678593 /nfs/dbraw/zinc/67/85/93/618678593.db2.gz ZBWXJURWOONIOP-JKIFEVAISA-N 3 2 290.455 1.730 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1O ZINC000041027803 621614633 /nfs/dbraw/zinc/61/46/33/621614633.db2.gz QVBDFTZBRUMVHH-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1O ZINC000041027803 621614636 /nfs/dbraw/zinc/61/46/36/621614636.db2.gz QVBDFTZBRUMVHH-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOCc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)ccc1OC ZINC000841098089 630553028 /nfs/dbraw/zinc/55/30/28/630553028.db2.gz BXYVRJJHEHTHSJ-OAHLLOKOSA-N 2 2 294.395 1.310 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(F)ccc1O ZINC000717363407 684888483 /nfs/dbraw/zinc/88/84/83/684888483.db2.gz CJKIUXNGKVRXIM-KOLCDFICSA-N 2 2 256.321 1.104 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1O ZINC000879649314 685702093 /nfs/dbraw/zinc/70/20/93/685702093.db2.gz NBWVFDBILBHYKX-DGCLKSJQSA-N 2 2 264.369 1.498 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1O ZINC000879649314 685702112 /nfs/dbraw/zinc/70/21/12/685702112.db2.gz NBWVFDBILBHYKX-DGCLKSJQSA-N 2 2 264.369 1.498 20 10 CDCDLP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000841027434 685735919 /nfs/dbraw/zinc/73/59/19/685735919.db2.gz BAWPSASUZCKWBH-LLVKDONJSA-N 2 2 285.185 1.982 20 10 CDCDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226388 686880058 /nfs/dbraw/zinc/88/00/58/686880058.db2.gz MTYLEFNJZAVLRM-IAQYHMDHSA-N 2 2 276.336 1.434 20 10 CDCDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226388 686880061 /nfs/dbraw/zinc/88/00/61/686880061.db2.gz MTYLEFNJZAVLRM-IAQYHMDHSA-N 2 2 276.336 1.434 20 10 CDCDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973028 687036991 /nfs/dbraw/zinc/03/69/91/687036991.db2.gz BAYOTWRREKIORA-NHYWBVRUSA-N 2 2 282.359 1.951 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000817983256 687114043 /nfs/dbraw/zinc/11/40/43/687114043.db2.gz LGISCAKTCMCQPL-NEPJUHHUSA-N 2 2 250.342 1.340 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054990 687154845 /nfs/dbraw/zinc/15/48/45/687154845.db2.gz BTFJPCCICQZYTR-QGZVFWFLSA-N 2 2 289.423 1.707 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054990 687154846 /nfs/dbraw/zinc/15/48/46/687154846.db2.gz BTFJPCCICQZYTR-QGZVFWFLSA-N 2 2 289.423 1.707 20 10 CDCDLP Cc1cc(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000305180528 687985046 /nfs/dbraw/zinc/98/50/46/687985046.db2.gz HHRZXBOPIQTQIT-UHFFFAOYSA-N 2 2 292.423 1.898 20 10 CDCDLP Cc1cc(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000305180528 687985066 /nfs/dbraw/zinc/98/50/66/687985066.db2.gz HHRZXBOPIQTQIT-UHFFFAOYSA-N 2 2 292.423 1.898 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)CC1 ZINC001204782487 906377602 /nfs/dbraw/zinc/37/76/02/906377602.db2.gz GBKVJXQDYCEAAW-KRWDZBQOSA-N 3 2 288.439 1.362 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)CC1 ZINC001204782487 906377617 /nfs/dbraw/zinc/37/76/17/906377617.db2.gz GBKVJXQDYCEAAW-KRWDZBQOSA-N 3 2 288.439 1.362 20 10 CDCDLP [NH3+][C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000841034816 936972524 /nfs/dbraw/zinc/97/25/24/936972524.db2.gz CZNPQGHYNHARIR-ZDUSSCGKSA-N 2 2 286.331 1.911 20 10 CDCDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203881928 939711519 /nfs/dbraw/zinc/71/15/19/939711519.db2.gz YMNIZNPEAFJBIE-OKILXGFUSA-N 2 2 276.380 1.871 20 10 CDCDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203881928 939711522 /nfs/dbraw/zinc/71/15/22/939711522.db2.gz YMNIZNPEAFJBIE-OKILXGFUSA-N 2 2 276.380 1.871 20 10 CDCDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203881928 939711524 /nfs/dbraw/zinc/71/15/24/939711524.db2.gz YMNIZNPEAFJBIE-OKILXGFUSA-N 2 2 276.380 1.871 20 10 CDCDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203881928 939711526 /nfs/dbraw/zinc/71/15/26/939711526.db2.gz YMNIZNPEAFJBIE-OKILXGFUSA-N 2 2 276.380 1.871 20 10 CDCDLP CCc1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001236789559 944567807 /nfs/dbraw/zinc/56/78/07/944567807.db2.gz YDFDHXSVYJIAIO-UHFFFAOYSA-N 2 2 289.423 1.386 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252539958 334382411 /nfs/dbraw/zinc/38/24/11/334382411.db2.gz CAPDFOSQWUAFLH-ZFWWWQNUSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252539958 334382413 /nfs/dbraw/zinc/38/24/13/334382413.db2.gz CAPDFOSQWUAFLH-ZFWWWQNUSA-N 2 2 292.379 1.354 20 10 CDCDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000827885122 688426583 /nfs/dbraw/zinc/42/65/83/688426583.db2.gz QXVBUDTWHMWDHH-UHFFFAOYSA-N 2 2 290.342 1.587 20 10 CDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902403 688674024 /nfs/dbraw/zinc/67/40/24/688674024.db2.gz PSAJFGDHOCQEQZ-IUODEOHRSA-N 2 2 276.380 1.478 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000843047119 694355306 /nfs/dbraw/zinc/35/53/06/694355306.db2.gz HMTJHFOIPQBRGE-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000843047119 694355311 /nfs/dbraw/zinc/35/53/11/694355311.db2.gz HMTJHFOIPQBRGE-UHFFFAOYSA-N 2 2 250.342 1.586 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000305218701 692429711 /nfs/dbraw/zinc/42/97/11/692429711.db2.gz SIIGOGKPVHRXSV-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP Cc1ccc(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000305218701 692429714 /nfs/dbraw/zinc/42/97/14/692429714.db2.gz SIIGOGKPVHRXSV-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP COc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1O ZINC000846147059 692998159 /nfs/dbraw/zinc/99/81/59/692998159.db2.gz VFUMGHUEJAHAGE-STQMWFEESA-N 2 2 294.395 1.508 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1O ZINC000841765273 693340712 /nfs/dbraw/zinc/34/07/12/693340712.db2.gz WYTLMGVPBKQZRF-ONGXEEELSA-N 2 2 272.776 1.619 20 10 CDCDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921930208 693409881 /nfs/dbraw/zinc/40/98/81/693409881.db2.gz IIZNOYWGKIEAND-INIZCTEOSA-N 2 2 278.396 1.414 20 10 CDCDLP CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC000843052475 694749534 /nfs/dbraw/zinc/74/95/34/694749534.db2.gz LYTSICHITSCJQE-ZDUSSCGKSA-N 2 2 294.395 1.983 20 10 CDCDLP CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC000843052475 694749540 /nfs/dbraw/zinc/74/95/40/694749540.db2.gz LYTSICHITSCJQE-ZDUSSCGKSA-N 2 2 294.395 1.983 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841046804 694761649 /nfs/dbraw/zinc/76/16/49/694761649.db2.gz NVKIVSQLQCVHCX-UHFFFAOYSA-N 2 2 268.357 1.499 20 10 CDCDLP C[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1O ZINC000817934966 694877012 /nfs/dbraw/zinc/87/70/12/694877012.db2.gz ROVMBJSGZXZTPV-ZETCQYMHSA-N 2 2 259.147 1.764 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981041 694882832 /nfs/dbraw/zinc/88/28/32/694882832.db2.gz XTQKXNWQHHJULL-GUYCJALGSA-N 2 2 291.439 1.858 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981041 694882833 /nfs/dbraw/zinc/88/28/33/694882833.db2.gz XTQKXNWQHHJULL-GUYCJALGSA-N 2 2 291.439 1.858 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048250 695056289 /nfs/dbraw/zinc/05/62/89/695056289.db2.gz GDZZICFAMIQGNG-QMMMGPOBSA-N 2 2 258.724 1.965 20 10 CDCDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048250 695056293 /nfs/dbraw/zinc/05/62/93/695056293.db2.gz GDZZICFAMIQGNG-QMMMGPOBSA-N 2 2 258.724 1.965 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841033197 723593430 /nfs/dbraw/zinc/59/34/30/723593430.db2.gz PBJVCIDZBBLTJK-MRXNPFEDSA-N 2 2 289.423 1.755 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817964536 723638824 /nfs/dbraw/zinc/63/88/24/723638824.db2.gz FAEOJZKJYOIBAY-CYBMUJFWSA-N 2 2 266.385 1.896 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001206163833 911538766 /nfs/dbraw/zinc/53/87/66/911538766.db2.gz GIFGFQYKTPJBPP-NWDGAFQWSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001206163833 911538777 /nfs/dbraw/zinc/53/87/77/911538777.db2.gz GIFGFQYKTPJBPP-NWDGAFQWSA-N 2 2 256.296 1.793 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000796754281 934794829 /nfs/dbraw/zinc/79/48/29/934794829.db2.gz JBSLMPVADXMKAL-DGCLKSJQSA-N 2 2 270.348 1.495 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001205762819 939933213 /nfs/dbraw/zinc/93/32/13/939933213.db2.gz NPRGTYJGLGIFHY-SECBINFHSA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001205762819 939933216 /nfs/dbraw/zinc/93/32/16/939933216.db2.gz NPRGTYJGLGIFHY-SECBINFHSA-N 2 2 274.286 1.947 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419160 944491262 /nfs/dbraw/zinc/49/12/62/944491262.db2.gz HBCWMMXXAKNVGK-RHSMWYFYSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236419160 944491267 /nfs/dbraw/zinc/49/12/67/944491267.db2.gz HBCWMMXXAKNVGK-RHSMWYFYSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801757 390388418 /nfs/dbraw/zinc/38/84/18/390388418.db2.gz RSIGQQIYGCUPFT-YOEHRIQHSA-N 2 2 290.455 1.649 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801757 390388419 /nfs/dbraw/zinc/38/84/19/390388419.db2.gz RSIGQQIYGCUPFT-YOEHRIQHSA-N 2 2 290.455 1.649 20 10 CDCDLP C[NH+]1CCC(CCO)([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000765920052 576063222 /nfs/dbraw/zinc/06/32/22/576063222.db2.gz BXPULUCNIYVPSV-UHFFFAOYSA-N 2 2 298.814 1.982 20 10 CDCDLP Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000756490225 576991914 /nfs/dbraw/zinc/99/19/14/576991914.db2.gz MJUKKJRCWKYFPQ-ZDUSSCGKSA-N 2 2 291.395 1.125 20 10 CDCDLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851272 695584700 /nfs/dbraw/zinc/58/47/00/695584700.db2.gz WBTGTMCZIWTVGK-HUUCEWRRSA-N 2 2 290.407 1.816 20 10 CDCDLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851272 695584707 /nfs/dbraw/zinc/58/47/07/695584707.db2.gz WBTGTMCZIWTVGK-HUUCEWRRSA-N 2 2 290.407 1.816 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944258 695836339 /nfs/dbraw/zinc/83/63/39/695836339.db2.gz YNQMTKDYVOHDKG-WFASDCNBSA-N 2 2 287.411 1.837 20 10 CDCDLP COc1cc(C)c(C[NH2+]C[C@]2(C)C[NH2+]CCO2)c(O)c1 ZINC001579145359 1172105375 /nfs/dbraw/zinc/10/53/75/1172105375.db2.gz ZBJHIEHSPLAHCK-HNNXBMFYSA-N 2 2 280.368 1.177 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1C ZINC000817983604 723970730 /nfs/dbraw/zinc/97/07/30/723970730.db2.gz OOFIKZGLGXPUEF-QWHCGFSZSA-N 2 2 264.369 1.648 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347921 724197826 /nfs/dbraw/zinc/19/78/26/724197826.db2.gz YEDILQGCUQDQCX-NSHDSACASA-N 2 2 280.343 1.905 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347921 724197832 /nfs/dbraw/zinc/19/78/32/724197832.db2.gz YEDILQGCUQDQCX-NSHDSACASA-N 2 2 280.343 1.905 20 10 CDCDLP Oc1c(Cl)cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000775746898 724589218 /nfs/dbraw/zinc/58/92/18/724589218.db2.gz HKIBIYJXKQVVAC-GHMZBOCLSA-N 2 2 252.745 1.697 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356124 724649712 /nfs/dbraw/zinc/64/97/12/724649712.db2.gz GEEJTWITIMSWMS-TZMCWYRMSA-N 2 2 264.369 1.720 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356124 724649715 /nfs/dbraw/zinc/64/97/15/724649715.db2.gz GEEJTWITIMSWMS-TZMCWYRMSA-N 2 2 264.369 1.720 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000133012319 725143731 /nfs/dbraw/zinc/14/37/31/725143731.db2.gz RGTFPTKHMCGBDW-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000133012319 725143735 /nfs/dbraw/zinc/14/37/35/725143735.db2.gz RGTFPTKHMCGBDW-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882984434 724115486 /nfs/dbraw/zinc/11/54/86/724115486.db2.gz HSSQOIADSPEJOK-NSHDSACASA-N 2 2 299.365 1.396 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1 ZINC000717355855 725327576 /nfs/dbraw/zinc/32/75/76/725327576.db2.gz XALNTWXVPWQRDB-NWDGAFQWSA-N 2 2 252.358 1.274 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863651337 725391547 /nfs/dbraw/zinc/39/15/47/725391547.db2.gz GWAWSCJJMULOMA-CQSZACIVSA-N 3 2 276.428 1.217 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863651337 725391550 /nfs/dbraw/zinc/39/15/50/725391550.db2.gz GWAWSCJJMULOMA-CQSZACIVSA-N 3 2 276.428 1.217 20 10 CDCDLP COC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839131326 725982081 /nfs/dbraw/zinc/98/20/81/725982081.db2.gz RZYWIDWBATYJTI-UHFFFAOYSA-N 2 2 275.396 1.269 20 10 CDCDLP CN1CCOc2cc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998726 944366694 /nfs/dbraw/zinc/36/66/94/944366694.db2.gz ZDUSNTWVPUDBAK-CJNGLKHVSA-N 2 2 273.380 1.438 20 10 CDCDLP CN1CCOc2cc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998726 944366701 /nfs/dbraw/zinc/36/67/01/944366701.db2.gz ZDUSNTWVPUDBAK-CJNGLKHVSA-N 2 2 273.380 1.438 20 10 CDCDLP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121937 944409645 /nfs/dbraw/zinc/40/96/45/944409645.db2.gz HLDJSHJFKSZFRN-LBPRGKRZSA-N 2 2 264.369 1.893 20 10 CDCDLP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121937 944409647 /nfs/dbraw/zinc/40/96/47/944409647.db2.gz HLDJSHJFKSZFRN-LBPRGKRZSA-N 2 2 264.369 1.893 20 10 CDCDLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237674426 944918313 /nfs/dbraw/zinc/91/83/13/944918313.db2.gz HCTUHYFCXXVVMT-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237674426 944918316 /nfs/dbraw/zinc/91/83/16/944918316.db2.gz HCTUHYFCXXVVMT-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000061375877 523607250 /nfs/dbraw/zinc/60/72/50/523607250.db2.gz SREQXLWGCSNNMX-ZDUSSCGKSA-N 2 2 266.385 1.929 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000061375877 523607257 /nfs/dbraw/zinc/60/72/57/523607257.db2.gz SREQXLWGCSNNMX-ZDUSSCGKSA-N 2 2 266.385 1.929 20 10 CDCDLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1OC ZINC000891666777 617528989 /nfs/dbraw/zinc/52/89/89/617528989.db2.gz XKKONBOCTXUPSC-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057544 618691336 /nfs/dbraw/zinc/69/13/36/618691336.db2.gz JOQXPUUAZIXDEN-IUODEOHRSA-N 2 2 264.369 1.557 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057544 618691340 /nfs/dbraw/zinc/69/13/40/618691340.db2.gz JOQXPUUAZIXDEN-IUODEOHRSA-N 2 2 264.369 1.557 20 10 CDCDLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045713 726866690 /nfs/dbraw/zinc/86/66/90/726866690.db2.gz OTJMIFVVWQPSAE-CQDKDKBSSA-N 2 2 263.385 1.519 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817982541 727069822 /nfs/dbraw/zinc/06/98/22/727069822.db2.gz DZMQYRSDBGJOEE-YPMHNXCESA-N 2 2 250.342 1.421 20 10 CDCDLP CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775633977 727147180 /nfs/dbraw/zinc/14/71/80/727147180.db2.gz NNPMVYUNSIANSQ-UHFFFAOYSA-N 2 2 288.439 1.186 20 10 CDCDLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939164 727148028 /nfs/dbraw/zinc/14/80/28/727148028.db2.gz AAMYSYNEGQORCW-CZUORRHYSA-N 3 2 278.444 1.860 20 10 CDCDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045913 727961534 /nfs/dbraw/zinc/96/15/34/727961534.db2.gz LSURCZVODUNGJM-PWSUYJOCSA-N 2 2 278.352 1.823 20 10 CDCDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045913 727961539 /nfs/dbraw/zinc/96/15/39/727961539.db2.gz LSURCZVODUNGJM-PWSUYJOCSA-N 2 2 278.352 1.823 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605594 728198197 /nfs/dbraw/zinc/19/81/97/728198197.db2.gz DHMACDULHZNZAU-RISCZKNCSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605594 728198200 /nfs/dbraw/zinc/19/82/00/728198200.db2.gz DHMACDULHZNZAU-RISCZKNCSA-N 2 2 250.342 1.249 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855033 925574478 /nfs/dbraw/zinc/57/44/78/925574478.db2.gz LJSAKJKVTAQERW-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855033 925574486 /nfs/dbraw/zinc/57/44/86/925574486.db2.gz LJSAKJKVTAQERW-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973096 939962495 /nfs/dbraw/zinc/96/24/95/939962495.db2.gz GGNSQHVTEBEKPE-VXGBXAGGSA-N 2 2 270.760 1.248 20 10 CDCDLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973096 939962497 /nfs/dbraw/zinc/96/24/97/939962497.db2.gz GGNSQHVTEBEKPE-VXGBXAGGSA-N 2 2 270.760 1.248 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981372 944344265 /nfs/dbraw/zinc/34/42/65/944344265.db2.gz QFGOTTPDZBABEY-RDJZCZTQSA-N 2 2 271.408 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981372 944344269 /nfs/dbraw/zinc/34/42/69/944344269.db2.gz QFGOTTPDZBABEY-RDJZCZTQSA-N 2 2 271.408 1.992 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1OC ZINC001235988443 944352023 /nfs/dbraw/zinc/35/20/23/944352023.db2.gz HWTWHCWOTCHJLS-XHDPSFHLSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1OC ZINC001235988443 944352031 /nfs/dbraw/zinc/35/20/31/944352031.db2.gz HWTWHCWOTCHJLS-XHDPSFHLSA-N 2 2 278.352 1.333 20 10 CDCDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990631 944356140 /nfs/dbraw/zinc/35/61/40/944356140.db2.gz KLSLXEODCPLWNK-DOTOQJQBSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990631 944356148 /nfs/dbraw/zinc/35/61/48/944356148.db2.gz KLSLXEODCPLWNK-DOTOQJQBSA-N 3 2 286.423 1.019 20 10 CDCDLP Nc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001262488009 946682010 /nfs/dbraw/zinc/68/20/10/946682010.db2.gz MYKIMQDLSUXFQG-QGZVFWFLSA-N 2 2 289.423 1.956 20 10 CDCDLP Nc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001262488009 946682020 /nfs/dbraw/zinc/68/20/20/946682020.db2.gz MYKIMQDLSUXFQG-QGZVFWFLSA-N 2 2 289.423 1.956 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610938 365511545 /nfs/dbraw/zinc/51/15/45/365511545.db2.gz VTWVESFEYFFBDP-WCQYABFASA-N 2 2 297.830 1.942 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610938 365511564 /nfs/dbraw/zinc/51/15/64/365511564.db2.gz VTWVESFEYFFBDP-WCQYABFASA-N 2 2 297.830 1.942 20 10 CDCDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)c(O)c1OC ZINC000892441897 618208055 /nfs/dbraw/zinc/20/80/55/618208055.db2.gz SMEXMKDPVPVQEI-UHFFFAOYSA-N 2 2 277.324 1.396 20 10 CDCDLP COc1ccc(N2CCC[N@H+](C[C@H](C)[NH3+])CC2)cc1 ZINC000844221267 728865877 /nfs/dbraw/zinc/86/58/77/728865877.db2.gz BJWDRCZTPGTMGY-ZDUSSCGKSA-N 2 2 263.385 1.555 20 10 CDCDLP COc1ccc(N2CCC[N@@H+](C[C@H](C)[NH3+])CC2)cc1 ZINC000844221267 728865880 /nfs/dbraw/zinc/86/58/80/728865880.db2.gz BJWDRCZTPGTMGY-ZDUSSCGKSA-N 2 2 263.385 1.555 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226338619 728895796 /nfs/dbraw/zinc/89/57/96/728895796.db2.gz KIRIKKWBIQMVND-RISCZKNCSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226338619 728895801 /nfs/dbraw/zinc/89/58/01/728895801.db2.gz KIRIKKWBIQMVND-RISCZKNCSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000844221920 729268863 /nfs/dbraw/zinc/26/88/63/729268863.db2.gz YNMGCSRVJUMINU-ZDUSSCGKSA-N 2 2 293.386 1.566 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(F)ccc1O ZINC000817984170 930659256 /nfs/dbraw/zinc/65/92/56/930659256.db2.gz VRSXNSNVKIMKKC-GXSJLCMTSA-N 2 2 254.305 1.170 20 10 CDCDLP OCC[NH2+]C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000686281339 934029234 /nfs/dbraw/zinc/02/92/34/934029234.db2.gz FPWCECFBIMJKOK-UHFFFAOYSA-N 2 2 284.787 1.592 20 10 CDCDLP COCC[N@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001203878732 939711079 /nfs/dbraw/zinc/71/10/79/939711079.db2.gz KSEZXHIBAWLFEG-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP COCC[N@@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001203878732 939711081 /nfs/dbraw/zinc/71/10/81/939711081.db2.gz KSEZXHIBAWLFEG-UHFFFAOYSA-N 2 2 294.395 1.640 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205076139 939820533 /nfs/dbraw/zinc/82/05/33/939820533.db2.gz PIXLDEIWIYTLLJ-QWRGUYRKSA-N 2 2 280.368 1.721 20 10 CDCDLP COc1cc(O)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205076139 939820534 /nfs/dbraw/zinc/82/05/34/939820534.db2.gz PIXLDEIWIYTLLJ-QWRGUYRKSA-N 2 2 280.368 1.721 20 10 CDCDLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC001219923502 941396537 /nfs/dbraw/zinc/39/65/37/941396537.db2.gz PENWAUADEYBQIV-CQSZACIVSA-N 2 2 285.347 1.281 20 10 CDCDLP Oc1c(Cl)cccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507347 941605180 /nfs/dbraw/zinc/60/51/80/941605180.db2.gz UALCRJHFLLVTKV-KBPBESRZSA-N 2 2 295.814 1.571 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983376 944347617 /nfs/dbraw/zinc/34/76/17/944347617.db2.gz ZNHPIUFZDKPCJT-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983376 944347629 /nfs/dbraw/zinc/34/76/29/944347629.db2.gz ZNHPIUFZDKPCJT-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[NH2+]2)c1O ZINC001579551579 1172210414 /nfs/dbraw/zinc/21/04/14/1172210414.db2.gz NEHKIFCAERGUPZ-NSHDSACASA-N 2 2 285.185 1.915 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccnc2)cc1 ZINC000841043957 618678525 /nfs/dbraw/zinc/67/85/25/618678525.db2.gz RTFGAKWEGRTKSG-MRXNPFEDSA-N 2 2 270.380 1.937 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035804 621080696 /nfs/dbraw/zinc/08/06/96/621080696.db2.gz MQTIRZDCTIIBHA-HNNXBMFYSA-N 2 2 275.396 1.365 20 10 CDCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000853249655 730891428 /nfs/dbraw/zinc/89/14/28/730891428.db2.gz SPHVMPIFKRSVLB-MRVPVSSYSA-N 2 2 273.174 1.852 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000817943299 732242097 /nfs/dbraw/zinc/24/20/97/732242097.db2.gz UCWRQSWAMTWZDC-KOZAUXTDSA-N 2 2 277.412 1.908 20 10 CDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133462591 732271799 /nfs/dbraw/zinc/27/17/99/732271799.db2.gz CWVRVQKUUCOCOW-DZGCQCFKSA-N 2 2 277.412 1.609 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944256 732845288 /nfs/dbraw/zinc/84/52/88/732845288.db2.gz YNQMTKDYVOHDKG-IUODEOHRSA-N 2 2 287.411 1.837 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752217 733123279 /nfs/dbraw/zinc/12/32/79/733123279.db2.gz NBITWEQFAKIDFJ-IINYFYTJSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752217 733123288 /nfs/dbraw/zinc/12/32/88/733123288.db2.gz NBITWEQFAKIDFJ-IINYFYTJSA-N 2 2 284.787 1.763 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001139410948 936618209 /nfs/dbraw/zinc/61/82/09/936618209.db2.gz NBWRITQKURFQRG-SJORKVTESA-N 2 2 287.407 1.412 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001139410948 936618210 /nfs/dbraw/zinc/61/82/10/936618210.db2.gz NBWRITQKURFQRG-SJORKVTESA-N 2 2 287.407 1.412 20 10 CDCDLP C[NH+](C)CCCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137838698 923040428 /nfs/dbraw/zinc/04/04/28/923040428.db2.gz HXQKJSARDMPNHT-UHFFFAOYSA-N 2 2 295.402 1.601 20 10 CDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516424 931881392 /nfs/dbraw/zinc/88/13/92/931881392.db2.gz YDHLDOKYXMEHFH-MFKMUULPSA-N 2 2 278.352 1.329 20 10 CDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516424 931881395 /nfs/dbraw/zinc/88/13/95/931881395.db2.gz YDHLDOKYXMEHFH-MFKMUULPSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516424 931881400 /nfs/dbraw/zinc/88/14/00/931881400.db2.gz YDHLDOKYXMEHFH-MFKMUULPSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516424 931881403 /nfs/dbraw/zinc/88/14/03/931881403.db2.gz YDHLDOKYXMEHFH-MFKMUULPSA-N 2 2 278.352 1.329 20 10 CDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516425 931881491 /nfs/dbraw/zinc/88/14/91/931881491.db2.gz YDHLDOKYXMEHFH-ZWNOBZJWSA-N 2 2 278.352 1.329 20 10 CDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516425 931881494 /nfs/dbraw/zinc/88/14/94/931881494.db2.gz YDHLDOKYXMEHFH-ZWNOBZJWSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516425 931881498 /nfs/dbraw/zinc/88/14/98/931881498.db2.gz YDHLDOKYXMEHFH-ZWNOBZJWSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516425 931881501 /nfs/dbraw/zinc/88/15/01/931881501.db2.gz YDHLDOKYXMEHFH-ZWNOBZJWSA-N 2 2 278.352 1.329 20 10 CDCDLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205109738 939823322 /nfs/dbraw/zinc/82/33/22/939823322.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 2 2 256.296 1.984 20 10 CDCDLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205109738 939823323 /nfs/dbraw/zinc/82/33/23/939823323.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 2 2 256.296 1.984 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)cc1O ZINC001205827958 939941627 /nfs/dbraw/zinc/94/16/27/939941627.db2.gz IIGYWEAZBJYJCT-CMPLNLGQSA-N 2 2 280.368 1.666 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)cc1O ZINC001205827958 939941628 /nfs/dbraw/zinc/94/16/28/939941628.db2.gz IIGYWEAZBJYJCT-CMPLNLGQSA-N 2 2 280.368 1.666 20 10 CDCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829995 939942803 /nfs/dbraw/zinc/94/28/03/939942803.db2.gz QLFGAQCTYPFWAY-ZJUUUORDSA-N 2 2 266.341 1.363 20 10 CDCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829995 939942805 /nfs/dbraw/zinc/94/28/05/939942805.db2.gz QLFGAQCTYPFWAY-ZJUUUORDSA-N 2 2 266.341 1.363 20 10 CDCDLP Oc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246345123 948120081 /nfs/dbraw/zinc/12/00/81/948120081.db2.gz UUHMCWYYKLBJBV-NSHDSACASA-N 2 2 285.185 1.996 20 10 CDCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363573 260094759 /nfs/dbraw/zinc/09/47/59/260094759.db2.gz IRYZOXRVOFPCAY-GFCCVEGCSA-N 2 2 257.337 1.996 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667607 334384639 /nfs/dbraw/zinc/38/46/39/334384639.db2.gz MHUDNJVWODOPHY-DLBZAZTESA-N 2 2 289.423 1.705 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667607 334384640 /nfs/dbraw/zinc/38/46/40/334384640.db2.gz MHUDNJVWODOPHY-DLBZAZTESA-N 2 2 289.423 1.705 20 10 CDCDLP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000841044721 621586179 /nfs/dbraw/zinc/58/61/79/621586179.db2.gz GQEICWUGQOZQAR-JTQLQIEISA-N 2 2 285.185 1.915 20 10 CDCDLP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000841085433 628151819 /nfs/dbraw/zinc/15/18/19/628151819.db2.gz CFPXEXBYMQRSEP-CQSZACIVSA-N 2 2 280.368 1.640 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000817953991 735773061 /nfs/dbraw/zinc/77/30/61/735773061.db2.gz UOPOXQFFYDMWLN-SNVBAGLBSA-N 2 2 250.342 1.803 20 10 CDCDLP COc1cccc(O)c1C[N@H+](C)CCC[NH+](C)C ZINC000809729379 733275555 /nfs/dbraw/zinc/27/55/55/733275555.db2.gz GDZDRFOFDXNFDC-UHFFFAOYSA-N 2 2 252.358 1.784 20 10 CDCDLP COc1cccc(O)c1C[N@@H+](C)CCC[NH+](C)C ZINC000809729379 733275559 /nfs/dbraw/zinc/27/55/59/733275559.db2.gz GDZDRFOFDXNFDC-UHFFFAOYSA-N 2 2 252.358 1.784 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817939563 733315321 /nfs/dbraw/zinc/31/53/21/733315321.db2.gz COVDUSDHLBEFNM-DUVNUKRYSA-N 2 2 277.412 1.767 20 10 CDCDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841028915 733359135 /nfs/dbraw/zinc/35/91/35/733359135.db2.gz IFAXETIPUNGVBA-UHFFFAOYSA-N 2 2 297.355 1.916 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000843125967 733635382 /nfs/dbraw/zinc/63/53/82/733635382.db2.gz LRVXXSATGPAOOU-MRXNPFEDSA-N 3 2 276.428 1.342 20 10 CDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841058506 733899824 /nfs/dbraw/zinc/89/98/24/733899824.db2.gz IEIPKBILJFJUOG-RISCZKNCSA-N 2 2 265.376 1.979 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817966013 733909035 /nfs/dbraw/zinc/90/90/35/733909035.db2.gz ZEIGGCUPTBHOTR-NOZJJQNGSA-N 2 2 278.352 1.567 20 10 CDCDLP C[C@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841049225 734244509 /nfs/dbraw/zinc/24/45/09/734244509.db2.gz OMWVXEQKJIYVQY-MRVPVSSYSA-N 2 2 273.174 1.839 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000853249097 734346209 /nfs/dbraw/zinc/34/62/09/734346209.db2.gz NEQHSMDVJPIIAF-QMMMGPOBSA-N 2 2 258.749 1.752 20 10 CDCDLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1O ZINC000843357277 735602997 /nfs/dbraw/zinc/60/29/97/735602997.db2.gz GSTMXXPBIKSFAW-UHFFFAOYSA-N 2 2 276.340 1.601 20 10 CDCDLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1O ZINC000843357277 735603000 /nfs/dbraw/zinc/60/30/00/735603000.db2.gz GSTMXXPBIKSFAW-UHFFFAOYSA-N 2 2 276.340 1.601 20 10 CDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Br)ccc1O ZINC000382973064 735673266 /nfs/dbraw/zinc/67/32/66/735673266.db2.gz MFBSTAHAONDGSK-QMMMGPOBSA-N 2 2 273.174 1.934 20 10 CDCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131434 936476731 /nfs/dbraw/zinc/47/67/31/936476731.db2.gz ZRNKNOPXJDHNAT-BETUJISGSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131434 936476733 /nfs/dbraw/zinc/47/67/33/936476733.db2.gz ZRNKNOPXJDHNAT-BETUJISGSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131434 936476734 /nfs/dbraw/zinc/47/67/34/936476734.db2.gz ZRNKNOPXJDHNAT-BETUJISGSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131434 936476737 /nfs/dbraw/zinc/47/67/37/936476737.db2.gz ZRNKNOPXJDHNAT-BETUJISGSA-N 2 2 264.344 1.915 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1O ZINC001140466146 936712673 /nfs/dbraw/zinc/71/26/73/936712673.db2.gz YTSKCDFJWHHWLR-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1O ZINC001140466146 936712675 /nfs/dbraw/zinc/71/26/75/936712675.db2.gz YTSKCDFJWHHWLR-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653618 929585182 /nfs/dbraw/zinc/58/51/82/929585182.db2.gz OJDKQPJNTKEWRU-LBPRGKRZSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653618 929585189 /nfs/dbraw/zinc/58/51/89/929585189.db2.gz OJDKQPJNTKEWRU-LBPRGKRZSA-N 2 2 281.375 1.441 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889339 939951609 /nfs/dbraw/zinc/95/16/09/939951609.db2.gz ZNHJWNFBMVSIET-YGRLFVJLSA-N 2 2 264.369 1.878 20 10 CDCDLP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889339 939951614 /nfs/dbraw/zinc/95/16/14/939951614.db2.gz ZNHJWNFBMVSIET-YGRLFVJLSA-N 2 2 264.369 1.878 20 10 CDCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050456 944024221 /nfs/dbraw/zinc/02/42/21/944024221.db2.gz DIPAMIFZVAERRA-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1ccc(Cl)cc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050456 944024228 /nfs/dbraw/zinc/02/42/28/944024228.db2.gz DIPAMIFZVAERRA-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235157353 944073817 /nfs/dbraw/zinc/07/38/17/944073817.db2.gz CWKGUPWHBWUJPB-DOTOQJQBSA-N 2 2 287.407 1.446 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235157353 944073825 /nfs/dbraw/zinc/07/38/25/944073825.db2.gz CWKGUPWHBWUJPB-DOTOQJQBSA-N 2 2 287.407 1.446 20 10 CDCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000184545952 357487809 /nfs/dbraw/zinc/48/78/09/357487809.db2.gz YOSLKRFJWRCJRD-UHFFFAOYSA-N 2 2 265.401 1.156 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000184545952 357487814 /nfs/dbraw/zinc/48/78/14/357487814.db2.gz YOSLKRFJWRCJRD-UHFFFAOYSA-N 2 2 265.401 1.156 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068801432 522867537 /nfs/dbraw/zinc/86/75/37/522867537.db2.gz SEICTMSSDSEJQC-DZGCQCFKSA-N 2 2 277.412 1.679 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068801432 522867540 /nfs/dbraw/zinc/86/75/40/522867540.db2.gz SEICTMSSDSEJQC-DZGCQCFKSA-N 2 2 277.412 1.679 20 10 CDCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880088 524792731 /nfs/dbraw/zinc/79/27/31/524792731.db2.gz SWZXYVCPMIYEMP-SNVBAGLBSA-N 2 2 275.308 1.496 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841070205 618681441 /nfs/dbraw/zinc/68/14/41/618681441.db2.gz MLFAKESPANJRHQ-VIFPVBQESA-N 2 2 273.174 1.982 20 10 CDCDLP Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056970 618691378 /nfs/dbraw/zinc/69/13/78/618691378.db2.gz DKKYUYPTCPOFSA-DGCLKSJQSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1cccc(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056970 618691379 /nfs/dbraw/zinc/69/13/79/618691379.db2.gz DKKYUYPTCPOFSA-DGCLKSJQSA-N 2 2 250.342 1.249 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817965455 738482838 /nfs/dbraw/zinc/48/28/38/738482838.db2.gz VCQOOBGRSRGIIO-CYBMUJFWSA-N 2 2 266.385 1.896 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944257 737446319 /nfs/dbraw/zinc/44/63/19/737446319.db2.gz YNQMTKDYVOHDKG-SWLSCSKDSA-N 2 2 287.411 1.837 20 10 CDCDLP COc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1O ZINC000846147057 738821862 /nfs/dbraw/zinc/82/18/62/738821862.db2.gz VFUMGHUEJAHAGE-OLZOCXBDSA-N 2 2 294.395 1.508 20 10 CDCDLP COC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943286 738888372 /nfs/dbraw/zinc/88/83/72/738888372.db2.gz UAAQAAAWMZCITK-CVEARBPZSA-N 2 2 277.412 1.767 20 10 CDCDLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940014 736521489 /nfs/dbraw/zinc/52/14/89/736521489.db2.gz DUUHLBDKADPAPU-DYVFJYSZSA-N 2 2 299.422 1.763 20 10 CDCDLP CCN(CC)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843120339 736564643 /nfs/dbraw/zinc/56/46/43/736564643.db2.gz GHZFTRQPTXCEFJ-KRWDZBQOSA-N 2 2 290.455 1.608 20 10 CDCDLP CCN(CC)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843120339 736564648 /nfs/dbraw/zinc/56/46/48/736564648.db2.gz GHZFTRQPTXCEFJ-KRWDZBQOSA-N 2 2 290.455 1.608 20 10 CDCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882988198 737244870 /nfs/dbraw/zinc/24/48/70/737244870.db2.gz FVFNLZWUXUCYIO-LLVKDONJSA-N 2 2 299.365 1.396 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000843056669 738117173 /nfs/dbraw/zinc/11/71/73/738117173.db2.gz UZAPJJGTDVSXGY-CJNGLKHVSA-N 2 2 277.412 1.609 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000843056669 738117180 /nfs/dbraw/zinc/11/71/80/738117180.db2.gz UZAPJJGTDVSXGY-CJNGLKHVSA-N 2 2 277.412 1.609 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841036594 936973041 /nfs/dbraw/zinc/97/30/41/936973041.db2.gz RRSYUDUSHYPWRF-SNVBAGLBSA-N 2 2 281.312 1.151 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000843050941 937107279 /nfs/dbraw/zinc/10/72/79/937107279.db2.gz CDYPQFKXRPFAAI-SECBINFHSA-N 2 2 254.330 1.188 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000843050941 937107281 /nfs/dbraw/zinc/10/72/81/937107281.db2.gz CDYPQFKXRPFAAI-SECBINFHSA-N 2 2 254.330 1.188 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817965043 930653113 /nfs/dbraw/zinc/65/31/13/930653113.db2.gz NXLGLZZIZZMASA-GFCCVEGCSA-N 2 2 250.342 1.205 20 10 CDCDLP COc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1O ZINC000846138608 931985661 /nfs/dbraw/zinc/98/56/61/931985661.db2.gz WTGUEZXKSXHJGO-NSHDSACASA-N 2 2 261.325 1.948 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1O ZINC001231912707 943051948 /nfs/dbraw/zinc/05/19/48/943051948.db2.gz SWYKIGHRTXWREJ-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1O ZINC001231912707 943051952 /nfs/dbraw/zinc/05/19/52/943051952.db2.gz SWYKIGHRTXWREJ-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236895286 944609614 /nfs/dbraw/zinc/60/96/14/944609614.db2.gz ONLWOCTXOQQGDZ-ZDUSSCGKSA-N 2 2 277.412 1.427 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236895286 944609618 /nfs/dbraw/zinc/60/96/18/944609618.db2.gz ONLWOCTXOQQGDZ-ZDUSSCGKSA-N 2 2 277.412 1.427 20 10 CDCDLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC23CC3)c(O)c1OC ZINC001579216320 1172118279 /nfs/dbraw/zinc/11/82/79/1172118279.db2.gz NXEYEWLYRJAHHA-LBPRGKRZSA-N 2 2 278.352 1.251 20 10 CDCDLP CCOc1cccc(C[NH2+]CC[N@H+](CC)CCO)c1O ZINC000184549581 357487988 /nfs/dbraw/zinc/48/79/88/357487988.db2.gz NQGMORXCQREKAN-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP CCOc1cccc(C[NH2+]CC[N@@H+](CC)CCO)c1O ZINC000184549581 357487991 /nfs/dbraw/zinc/48/79/91/357487991.db2.gz NQGMORXCQREKAN-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610934 365511380 /nfs/dbraw/zinc/51/13/80/365511380.db2.gz VTWVESFEYFFBDP-DGCLKSJQSA-N 2 2 297.830 1.942 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610934 365511385 /nfs/dbraw/zinc/51/13/85/365511385.db2.gz VTWVESFEYFFBDP-DGCLKSJQSA-N 2 2 297.830 1.942 20 10 CDCDLP C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C[NH+]1CCOCC1 ZINC000297540414 372000739 /nfs/dbraw/zinc/00/07/39/372000739.db2.gz FBCUDQCWBSYTNT-DZGCQCFKSA-N 2 2 290.407 1.937 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC001578424747 1171906551 /nfs/dbraw/zinc/90/65/51/1171906551.db2.gz UOTSBDGUIKRJLO-OAHLLOKOSA-N 2 2 286.379 1.643 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353599 740519216 /nfs/dbraw/zinc/51/92/16/740519216.db2.gz LSBZDDDXXVZQCL-XPTSAGLGSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353599 740519220 /nfs/dbraw/zinc/51/92/20/740519220.db2.gz LSBZDDDXXVZQCL-XPTSAGLGSA-N 2 2 280.343 1.903 20 10 CDCDLP C[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)[NH3+] ZINC000849350761 741870898 /nfs/dbraw/zinc/87/08/98/741870898.db2.gz VIBUFXNCYOTRRF-UHFFFAOYSA-N 2 2 252.314 1.290 20 10 CDCDLP C[N@@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)[NH3+] ZINC000849350761 741870900 /nfs/dbraw/zinc/87/09/00/741870900.db2.gz VIBUFXNCYOTRRF-UHFFFAOYSA-N 2 2 252.314 1.290 20 10 CDCDLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccc(C)cc1O ZINC000817965100 739399108 /nfs/dbraw/zinc/39/91/08/739399108.db2.gz PLWJAWBTMHQOFW-CQSZACIVSA-N 2 2 266.385 1.977 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000817975732 930655098 /nfs/dbraw/zinc/65/50/98/930655098.db2.gz AHBFNURRFQJXGA-VWYCJHECSA-N 2 2 268.332 1.751 20 10 CDCDLP Nc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001120372014 937796399 /nfs/dbraw/zinc/79/63/99/937796399.db2.gz XLZAGVQQZQYWHV-HZPDHXFCSA-N 2 2 253.349 1.983 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001205076518 939820629 /nfs/dbraw/zinc/82/06/29/939820629.db2.gz UZJKLXRQCBWUOI-JSGCOSHPSA-N 2 2 275.396 1.827 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001205076518 939820630 /nfs/dbraw/zinc/82/06/30/939820630.db2.gz UZJKLXRQCBWUOI-JSGCOSHPSA-N 2 2 275.396 1.827 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205827960 939941689 /nfs/dbraw/zinc/94/16/89/939941689.db2.gz IIGYWEAZBJYJCT-PWSUYJOCSA-N 2 2 280.368 1.666 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205827960 939941690 /nfs/dbraw/zinc/94/16/90/939941690.db2.gz IIGYWEAZBJYJCT-PWSUYJOCSA-N 2 2 280.368 1.666 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667182 334384596 /nfs/dbraw/zinc/38/45/96/334384596.db2.gz GIANITUMOFASPP-UONOGXRCSA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667182 334384597 /nfs/dbraw/zinc/38/45/97/334384597.db2.gz GIANITUMOFASPP-UONOGXRCSA-N 2 2 296.798 1.998 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667608 334384665 /nfs/dbraw/zinc/38/46/65/334384665.db2.gz MHUDNJVWODOPHY-IRXDYDNUSA-N 2 2 289.423 1.705 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667608 334384666 /nfs/dbraw/zinc/38/46/66/334384666.db2.gz MHUDNJVWODOPHY-IRXDYDNUSA-N 2 2 289.423 1.705 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000061375293 523611110 /nfs/dbraw/zinc/61/11/10/523611110.db2.gz GLLJJOHUPKNUFQ-GFCCVEGCSA-N 2 2 282.384 1.630 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000061375293 523611116 /nfs/dbraw/zinc/61/11/16/523611116.db2.gz GLLJJOHUPKNUFQ-GFCCVEGCSA-N 2 2 282.384 1.630 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000068800529 525924511 /nfs/dbraw/zinc/92/45/11/525924511.db2.gz KPPGIUKOZPLNFD-KBPBESRZSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000068800529 525924522 /nfs/dbraw/zinc/92/45/22/525924522.db2.gz KPPGIUKOZPLNFD-KBPBESRZSA-N 2 2 277.412 1.597 20 10 CDCDLP CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000750816967 577007912 /nfs/dbraw/zinc/00/79/12/577007912.db2.gz FVKSLYGDLMPPFW-VXGBXAGGSA-N 2 2 278.327 1.385 20 10 CDCDLP COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226529 743361782 /nfs/dbraw/zinc/36/17/82/743361782.db2.gz QNMLAYQGMUXPGL-XHDPSFHLSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226529 743361791 /nfs/dbraw/zinc/36/17/91/743361791.db2.gz QNMLAYQGMUXPGL-XHDPSFHLSA-N 2 2 262.353 1.714 20 10 CDCDLP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000817944498 745324873 /nfs/dbraw/zinc/32/48/73/745324873.db2.gz FBPIJJHFFVGGKH-CQSZACIVSA-N 2 2 297.830 1.992 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc(N)s2)cc1 ZINC000843126698 745873451 /nfs/dbraw/zinc/87/34/51/745873451.db2.gz UNXMJYVYODGNOI-ZDUSSCGKSA-N 2 2 291.424 1.581 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C)cc1O ZINC000817982022 747857360 /nfs/dbraw/zinc/85/73/60/747857360.db2.gz AYYXMGCPRCECNB-GXTWGEPZSA-N 2 2 264.369 1.730 20 10 CDCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886525005 747899037 /nfs/dbraw/zinc/89/90/37/747899037.db2.gz VOMAWVBXFMFOGA-STQMWFEESA-N 2 2 295.402 1.818 20 10 CDCDLP COc1c(O)c(C[NH2+]CC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000849350027 748334842 /nfs/dbraw/zinc/33/48/42/748334842.db2.gz NRXJPQPNTIAELL-UHFFFAOYSA-N 2 2 295.339 1.670 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001206163832 911536591 /nfs/dbraw/zinc/53/65/91/911536591.db2.gz GIFGFQYKTPJBPP-NEPJUHHUSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001206163832 911536604 /nfs/dbraw/zinc/53/66/04/911536604.db2.gz GIFGFQYKTPJBPP-NEPJUHHUSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001206163294 911542516 /nfs/dbraw/zinc/54/25/16/911542516.db2.gz BKYJJIYBQUHALP-CMPLNLGQSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001206163294 911542530 /nfs/dbraw/zinc/54/25/30/911542530.db2.gz BKYJJIYBQUHALP-CMPLNLGQSA-N 2 2 256.296 1.793 20 10 CDCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841688 936420273 /nfs/dbraw/zinc/42/02/73/936420273.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841688 936420276 /nfs/dbraw/zinc/42/02/76/936420276.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841688 936420279 /nfs/dbraw/zinc/42/02/79/936420279.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 2 2 264.344 1.915 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841688 936420282 /nfs/dbraw/zinc/42/02/82/936420282.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 2 2 264.344 1.915 20 10 CDCDLP C[NH+]1CCN(C2C[NH+](Cc3c(O)cccc3Cl)C2)CC1 ZINC001140342570 936703926 /nfs/dbraw/zinc/70/39/26/936703926.db2.gz PMXHWQOMIHVLNJ-UHFFFAOYSA-N 2 2 295.814 1.477 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC([NH3+])C3)cc2F)CC1 ZINC001120283141 937791126 /nfs/dbraw/zinc/79/11/26/937791126.db2.gz OSHKGTMWIFIJCO-UHFFFAOYSA-N 3 2 292.402 1.157 20 10 CDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278183 939751168 /nfs/dbraw/zinc/75/11/68/939751168.db2.gz WVSKABPQOIBCHK-BXUZGUMPSA-N 2 2 262.353 1.624 20 10 CDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278183 939751170 /nfs/dbraw/zinc/75/11/70/939751170.db2.gz WVSKABPQOIBCHK-BXUZGUMPSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278183 939751173 /nfs/dbraw/zinc/75/11/73/939751173.db2.gz WVSKABPQOIBCHK-BXUZGUMPSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278183 939751175 /nfs/dbraw/zinc/75/11/75/939751175.db2.gz WVSKABPQOIBCHK-BXUZGUMPSA-N 2 2 262.353 1.624 20 10 CDCDLP Oc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222250060 941578158 /nfs/dbraw/zinc/57/81/58/941578158.db2.gz ZLALCXNINDUTSJ-OAHLLOKOSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1ccc(O)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222250060 941578161 /nfs/dbraw/zinc/57/81/61/941578161.db2.gz ZLALCXNINDUTSJ-OAHLLOKOSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234989611 943998021 /nfs/dbraw/zinc/99/80/21/943998021.db2.gz ASOHKRREROLKRW-AWEZNQCLSA-N 2 2 299.777 1.322 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029652 944384917 /nfs/dbraw/zinc/38/49/17/944384917.db2.gz UKAVGPVFYVPPFN-YOEHRIQHSA-N 2 2 287.407 1.181 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029652 944384920 /nfs/dbraw/zinc/38/49/20/944384920.db2.gz UKAVGPVFYVPPFN-YOEHRIQHSA-N 2 2 287.407 1.181 20 10 CDCDLP C[N@H+](CCC[NH3+])Cc1cccc(Br)c1O ZINC000309394690 1159169222 /nfs/dbraw/zinc/16/92/22/1159169222.db2.gz GIOKCYHCCGRNBM-UHFFFAOYSA-N 2 2 273.174 1.935 20 10 CDCDLP C[N@@H+](CCC[NH3+])Cc1cccc(Br)c1O ZINC000309394690 1159169224 /nfs/dbraw/zinc/16/92/24/1159169224.db2.gz GIOKCYHCCGRNBM-UHFFFAOYSA-N 2 2 273.174 1.935 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccnc2)cc1 ZINC000841043956 618678791 /nfs/dbraw/zinc/67/87/91/618678791.db2.gz RTFGAKWEGRTKSG-INIZCTEOSA-N 2 2 270.380 1.937 20 10 CDCDLP COC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCC[NH2+]1 ZINC000841067286 621698278 /nfs/dbraw/zinc/69/82/78/621698278.db2.gz MWCSPUYLGFHQAX-AWEZNQCLSA-N 2 2 268.332 1.390 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982044 749471447 /nfs/dbraw/zinc/47/14/47/749471447.db2.gz BFZTVXBQWXZLJL-GXSJLCMTSA-N 2 2 270.760 1.685 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000020127044 750286111 /nfs/dbraw/zinc/28/61/11/750286111.db2.gz XRTGYKZVHKDXIT-UHFFFAOYSA-N 2 2 289.423 1.709 20 10 CDCDLP COC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974927 750996289 /nfs/dbraw/zinc/99/62/89/750996289.db2.gz OKKPUWCRXDYFPX-ABAIWWIYSA-N 2 2 282.359 1.951 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000843056668 752842034 /nfs/dbraw/zinc/84/20/34/752842034.db2.gz UZAPJJGTDVSXGY-BBRMVZONSA-N 2 2 277.412 1.609 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000843056668 752842038 /nfs/dbraw/zinc/84/20/38/752842038.db2.gz UZAPJJGTDVSXGY-BBRMVZONSA-N 2 2 277.412 1.609 20 10 CDCDLP CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CC[NH2+]C1 ZINC000843052953 753340082 /nfs/dbraw/zinc/34/00/82/753340082.db2.gz QFJBUERZXILCSZ-LBPRGKRZSA-N 2 2 278.352 1.695 20 10 CDCDLP CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CC[NH2+]C1 ZINC000843052953 753340087 /nfs/dbraw/zinc/34/00/87/753340087.db2.gz QFJBUERZXILCSZ-LBPRGKRZSA-N 2 2 278.352 1.695 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843044995 937105563 /nfs/dbraw/zinc/10/55/63/937105563.db2.gz PFWYXRNTHUELNE-LLVKDONJSA-N 2 2 252.333 1.963 20 10 CDCDLP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180200601 357251223 /nfs/dbraw/zinc/25/12/23/357251223.db2.gz JNUHXOMKWOMMFM-ZDUSSCGKSA-N 2 2 294.370 1.685 20 10 CDCDLP Oc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180200601 357251225 /nfs/dbraw/zinc/25/12/25/357251225.db2.gz JNUHXOMKWOMMFM-ZDUSSCGKSA-N 2 2 294.370 1.685 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272539161 263006387 /nfs/dbraw/zinc/00/63/87/263006387.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272539161 263006388 /nfs/dbraw/zinc/00/63/88/263006388.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272539161 263006389 /nfs/dbraw/zinc/00/63/89/263006389.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272539161 263006390 /nfs/dbraw/zinc/00/63/90/263006390.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000068803374 522207694 /nfs/dbraw/zinc/20/76/94/522207694.db2.gz NWHPCOUEXRYQBC-MRXNPFEDSA-N 2 2 276.428 1.088 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068803374 522207702 /nfs/dbraw/zinc/20/77/02/522207702.db2.gz NWHPCOUEXRYQBC-MRXNPFEDSA-N 2 2 276.428 1.088 20 10 CDCDLP [NH3+]C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000841028209 754862498 /nfs/dbraw/zinc/86/24/98/754862498.db2.gz LXKGEZMNTZTGRI-LLVKDONJSA-N 2 2 285.185 1.982 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817952617 756168747 /nfs/dbraw/zinc/16/87/47/756168747.db2.gz RWIMDHOHGIXWFU-JQWIXIFHSA-N 2 2 278.352 1.581 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1O ZINC000817981629 756691721 /nfs/dbraw/zinc/69/17/21/756691721.db2.gz MDGLMWSXNSWLSE-KOLCDFICSA-N 2 2 286.322 1.700 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356121 757880303 /nfs/dbraw/zinc/88/03/03/757880303.db2.gz GEEJTWITIMSWMS-GXTWGEPZSA-N 2 2 264.369 1.720 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356121 757880304 /nfs/dbraw/zinc/88/03/04/757880304.db2.gz GEEJTWITIMSWMS-GXTWGEPZSA-N 2 2 264.369 1.720 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000841033348 758503945 /nfs/dbraw/zinc/50/39/45/758503945.db2.gz RBUYBKCDRNTXTI-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP Oc1cc(Br)ccc1C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001580888688 1167725560 /nfs/dbraw/zinc/72/55/60/1167725560.db2.gz VXHRNDTXERRBPW-GFCCVEGCSA-N 2 2 297.196 1.996 20 10 CDCDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(O)c1O ZINC001206167345 911791211 /nfs/dbraw/zinc/79/12/11/911791211.db2.gz YKPSKATYCXDNGM-WDEREUQCSA-N 2 2 284.331 1.368 20 10 CDCDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(O)c1O ZINC001206167345 911791215 /nfs/dbraw/zinc/79/12/15/911791215.db2.gz YKPSKATYCXDNGM-WDEREUQCSA-N 2 2 284.331 1.368 20 10 CDCDLP Oc1cc(Cl)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051681 944024670 /nfs/dbraw/zinc/02/46/70/944024670.db2.gz BEUGBFFABAGGTO-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1cc(Cl)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051681 944024676 /nfs/dbraw/zinc/02/46/76/944024676.db2.gz BEUGBFFABAGGTO-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236417810 944491869 /nfs/dbraw/zinc/49/18/69/944491869.db2.gz UDZQHGNCAMUFLH-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236417810 944491874 /nfs/dbraw/zinc/49/18/74/944491874.db2.gz UDZQHGNCAMUFLH-QGZVFWFLSA-N 3 2 288.439 1.280 20 10 CDCDLP Cc1cc(F)cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001238067329 945048078 /nfs/dbraw/zinc/04/80/78/945048078.db2.gz ODUIFNFEEKCEEN-UHFFFAOYSA-N 2 2 293.386 1.271 20 10 CDCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185392065 262052818 /nfs/dbraw/zinc/05/28/18/262052818.db2.gz IMOJVSFLALTSAO-OLZOCXBDSA-N 2 2 295.402 1.818 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000061375287 523607549 /nfs/dbraw/zinc/60/75/49/523607549.db2.gz GLLJJOHUPKNUFQ-LBPRGKRZSA-N 2 2 282.384 1.630 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000061375287 523607558 /nfs/dbraw/zinc/60/75/58/523607558.db2.gz GLLJJOHUPKNUFQ-LBPRGKRZSA-N 2 2 282.384 1.630 20 10 CDCDLP CC(=O)c1cc(F)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750816965 577007823 /nfs/dbraw/zinc/00/78/23/577007823.db2.gz FVKSLYGDLMPPFW-RYUDHWBXSA-N 2 2 278.327 1.385 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000843351395 617325460 /nfs/dbraw/zinc/32/54/60/617325460.db2.gz QTCHIZJZYGAERJ-UHFFFAOYSA-N 2 2 254.305 1.515 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000841042103 618677430 /nfs/dbraw/zinc/67/74/30/618677430.db2.gz KFCPNVIJBLEJAT-XJKSGUPXSA-N 2 2 277.412 1.769 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977341 771722162 /nfs/dbraw/zinc/72/21/62/771722162.db2.gz HXZXKQCLGWIMQP-XFOOOJQKSA-N 2 2 276.336 1.047 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817981466 772352352 /nfs/dbraw/zinc/35/23/52/772352352.db2.gz KOMOQWGRFBBURV-ZYHUDNBSSA-N 2 2 268.332 1.560 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817966015 773151341 /nfs/dbraw/zinc/15/13/41/773151341.db2.gz ZEIGGCUPTBHOTR-TVQRCGJNSA-N 2 2 278.352 1.567 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817958404 773321622 /nfs/dbraw/zinc/32/16/22/773321622.db2.gz JMQJQNYXACZMDN-GWCFXTLKSA-N 2 2 280.368 1.813 20 10 CDCDLP C[NH2+]CCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000844221017 773716614 /nfs/dbraw/zinc/71/66/14/773716614.db2.gz HGFFAMMFBFPNQI-UHFFFAOYSA-N 2 2 281.375 1.566 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(O)cc(O)cc1O ZINC001144516008 931880273 /nfs/dbraw/zinc/88/02/73/931880273.db2.gz MTODXCYIKXRTKA-UHFFFAOYSA-N 2 2 277.324 1.522 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(O)cc(O)cc1O ZINC001144516008 931880278 /nfs/dbraw/zinc/88/02/78/931880278.db2.gz MTODXCYIKXRTKA-UHFFFAOYSA-N 2 2 277.324 1.522 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000224570189 390896979 /nfs/dbraw/zinc/89/69/79/390896979.db2.gz BBMTYHLWHWMDFD-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000224570189 390896981 /nfs/dbraw/zinc/89/69/81/390896981.db2.gz BBMTYHLWHWMDFD-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057543 618691392 /nfs/dbraw/zinc/69/13/92/618691392.db2.gz JOQXPUUAZIXDEN-DOMZBBRYSA-N 2 2 264.369 1.557 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057543 618691395 /nfs/dbraw/zinc/69/13/95/618691395.db2.gz JOQXPUUAZIXDEN-DOMZBBRYSA-N 2 2 264.369 1.557 20 10 CDCDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000841044726 621586194 /nfs/dbraw/zinc/58/61/94/621586194.db2.gz GQEICWUGQOZQAR-SNVBAGLBSA-N 2 2 285.185 1.915 20 10 CDCDLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC000132213993 1175791030 /nfs/dbraw/zinc/79/10/30/1175791030.db2.gz SYVBTADKHJHSRD-UHFFFAOYSA-N 2 2 264.369 1.927 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000166373390 1181091767 /nfs/dbraw/zinc/09/17/67/1181091767.db2.gz QWZILFKMYJMEAC-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841028027 774228379 /nfs/dbraw/zinc/22/83/79/774228379.db2.gz JOWADMWXPJHPSZ-LLVKDONJSA-N 2 2 270.760 1.881 20 10 CDCDLP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817945127 774274508 /nfs/dbraw/zinc/27/45/08/774274508.db2.gz UYGVIMOTRSUNCM-JTQLQIEISA-N 2 2 285.338 1.226 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1C ZINC000843068611 777057054 /nfs/dbraw/zinc/05/70/54/777057054.db2.gz LFBQRMSRANBCRS-ZDUSSCGKSA-N 2 2 250.342 1.169 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1C ZINC000843068611 777057057 /nfs/dbraw/zinc/05/70/57/777057057.db2.gz LFBQRMSRANBCRS-ZDUSSCGKSA-N 2 2 250.342 1.169 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2c(cc1O)CCCC2 ZINC000817982351 777840326 /nfs/dbraw/zinc/84/03/26/777840326.db2.gz CLUCYAHHTOEGLO-IUODEOHRSA-N 2 2 290.407 1.910 20 10 CDCDLP CC(C)([NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841031571 778068320 /nfs/dbraw/zinc/06/83/20/778068320.db2.gz WQGIZJIRYLFPMR-UHFFFAOYSA-N 2 2 273.174 1.982 20 10 CDCDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483427 779750237 /nfs/dbraw/zinc/75/02/37/779750237.db2.gz AUOKKLFXVZVAAS-GOEBONIOSA-N 2 2 289.423 1.753 20 10 CDCDLP COc1cc(O)c(C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC001141031729 936795543 /nfs/dbraw/zinc/79/55/43/936795543.db2.gz IZJBNZHHULKRBE-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP C[N@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](C)CC1 ZINC001144499545 931857903 /nfs/dbraw/zinc/85/79/03/931857903.db2.gz ICTFDFNWHFOAAR-UHFFFAOYSA-N 2 2 266.341 1.329 20 10 CDCDLP C[N@@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](C)CC1 ZINC001144499545 931857905 /nfs/dbraw/zinc/85/79/05/931857905.db2.gz ICTFDFNWHFOAAR-UHFFFAOYSA-N 2 2 266.341 1.329 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001203634411 939698884 /nfs/dbraw/zinc/69/88/84/939698884.db2.gz DWKVXIYTCPKJCP-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001203634411 939698885 /nfs/dbraw/zinc/69/88/85/939698885.db2.gz DWKVXIYTCPKJCP-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001203634411 939698886 /nfs/dbraw/zinc/69/88/86/939698886.db2.gz DWKVXIYTCPKJCP-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001203634411 939698887 /nfs/dbraw/zinc/69/88/87/939698887.db2.gz DWKVXIYTCPKJCP-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782930 939790588 /nfs/dbraw/zinc/79/05/88/939790588.db2.gz MEBYRGMJBMZXMD-QGZVFWFLSA-N 2 2 289.423 1.571 20 10 CDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782930 939790590 /nfs/dbraw/zinc/79/05/90/939790590.db2.gz MEBYRGMJBMZXMD-QGZVFWFLSA-N 2 2 289.423 1.571 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205183226 939833353 /nfs/dbraw/zinc/83/33/53/939833353.db2.gz YRMKBJZRXZFJCF-CZUORRHYSA-N 3 2 274.412 1.018 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205183226 939833354 /nfs/dbraw/zinc/83/33/54/939833354.db2.gz YRMKBJZRXZFJCF-CZUORRHYSA-N 3 2 274.412 1.018 20 10 CDCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050454 944023976 /nfs/dbraw/zinc/02/39/76/944023976.db2.gz DIPAMIFZVAERRA-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1ccc(Cl)cc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050454 944023982 /nfs/dbraw/zinc/02/39/82/944023982.db2.gz DIPAMIFZVAERRA-AWEZNQCLSA-N 2 2 281.787 1.183 20 10 CDCDLP CN1CCOc2cc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998729 944367249 /nfs/dbraw/zinc/36/72/49/944367249.db2.gz ZDUSNTWVPUDBAK-XJKSGUPXSA-N 2 2 273.380 1.438 20 10 CDCDLP CN1CCOc2cc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998729 944367256 /nfs/dbraw/zinc/36/72/56/944367256.db2.gz ZDUSNTWVPUDBAK-XJKSGUPXSA-N 2 2 273.380 1.438 20 10 CDCDLP CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309212 176116737 /nfs/dbraw/zinc/11/67/37/176116737.db2.gz LXVFGRWJMZRALE-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309212 176116739 /nfs/dbraw/zinc/11/67/39/176116739.db2.gz LXVFGRWJMZRALE-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252539957 334382516 /nfs/dbraw/zinc/38/25/16/334382516.db2.gz CAPDFOSQWUAFLH-DZGCQCFKSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252539957 334382517 /nfs/dbraw/zinc/38/25/17/334382517.db2.gz CAPDFOSQWUAFLH-DZGCQCFKSA-N 2 2 292.379 1.354 20 10 CDCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000762790853 576672788 /nfs/dbraw/zinc/67/27/88/576672788.db2.gz KOWNXBIURUWEKZ-CYBMUJFWSA-N 2 2 288.750 1.341 20 10 CDCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000762790853 576672789 /nfs/dbraw/zinc/67/27/89/576672789.db2.gz KOWNXBIURUWEKZ-CYBMUJFWSA-N 2 2 288.750 1.341 20 10 CDCDLP COc1cc(C)cc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000894147262 618628268 /nfs/dbraw/zinc/62/82/68/618628268.db2.gz JFFASWSRXRRROZ-UHFFFAOYSA-N 2 2 261.325 1.696 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC000843054604 780280837 /nfs/dbraw/zinc/28/08/37/780280837.db2.gz WCWXUSMSMXVUIZ-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC000843054604 780280860 /nfs/dbraw/zinc/28/08/60/780280860.db2.gz WCWXUSMSMXVUIZ-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP C[N@H+](Cc1cc2c(cc1O)OCO2)C1(C[NH3+])CCC1 ZINC000843125069 780829060 /nfs/dbraw/zinc/82/90/60/780829060.db2.gz MTTXXVRXMWBYML-UHFFFAOYSA-N 2 2 264.325 1.434 20 10 CDCDLP C[N@@H+](Cc1cc2c(cc1O)OCO2)C1(C[NH3+])CCC1 ZINC000843125069 780829064 /nfs/dbraw/zinc/82/90/64/780829064.db2.gz MTTXXVRXMWBYML-UHFFFAOYSA-N 2 2 264.325 1.434 20 10 CDCDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483428 780897710 /nfs/dbraw/zinc/89/77/10/780897710.db2.gz AUOKKLFXVZVAAS-HOCLYGCPSA-N 2 2 289.423 1.753 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200641 912567291 /nfs/dbraw/zinc/56/72/91/912567291.db2.gz SIRJQFNNCRJIML-ONGXEEELSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200641 912567313 /nfs/dbraw/zinc/56/73/13/912567313.db2.gz SIRJQFNNCRJIML-ONGXEEELSA-N 2 2 274.286 1.932 20 10 CDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841059229 936973803 /nfs/dbraw/zinc/97/38/03/936973803.db2.gz NQUDPRAMTGFBHB-PBHICJAKSA-N 2 2 289.423 1.611 20 10 CDCDLP Oc1c(Cl)cccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125137 937115156 /nfs/dbraw/zinc/11/51/56/937115156.db2.gz XBYQBYNAXKOBKN-CYBMUJFWSA-N 2 2 295.814 1.525 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817959277 930647033 /nfs/dbraw/zinc/64/70/33/930647033.db2.gz FADFYZMGXJDHNC-RNCFNFMXSA-N 2 2 278.352 1.567 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221128 931558085 /nfs/dbraw/zinc/55/80/85/931558085.db2.gz VZQXRHARQQFHGG-ZDUSSCGKSA-N 2 2 263.385 1.302 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221128 931558087 /nfs/dbraw/zinc/55/80/87/931558087.db2.gz VZQXRHARQQFHGG-ZDUSSCGKSA-N 2 2 263.385 1.302 20 10 CDCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880776 939711623 /nfs/dbraw/zinc/71/16/23/939711623.db2.gz ZIHHAHXEMQMPQN-OAHLLOKOSA-N 2 2 262.353 1.625 20 10 CDCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880776 939711625 /nfs/dbraw/zinc/71/16/25/939711625.db2.gz ZIHHAHXEMQMPQN-OAHLLOKOSA-N 2 2 262.353 1.625 20 10 CDCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880776 939711626 /nfs/dbraw/zinc/71/16/26/939711626.db2.gz ZIHHAHXEMQMPQN-OAHLLOKOSA-N 2 2 262.353 1.625 20 10 CDCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880776 939711628 /nfs/dbraw/zinc/71/16/28/939711628.db2.gz ZIHHAHXEMQMPQN-OAHLLOKOSA-N 2 2 262.353 1.625 20 10 CDCDLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205109737 939822664 /nfs/dbraw/zinc/82/26/64/939822664.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 2 2 256.296 1.984 20 10 CDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205109737 939822668 /nfs/dbraw/zinc/82/26/68/939822668.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 2 2 256.296 1.984 20 10 CDCDLP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H]1C[NH3+] ZINC001205141178 939827786 /nfs/dbraw/zinc/82/77/86/939827786.db2.gz XZGVSUUSMJEUPC-WCBMZHEXSA-N 2 2 256.296 1.697 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001236172384 944422506 /nfs/dbraw/zinc/42/25/06/944422506.db2.gz ZGGMHIHYPZGGOK-AWEZNQCLSA-N 2 2 275.396 1.181 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001236172384 944422510 /nfs/dbraw/zinc/42/25/10/944422510.db2.gz ZGGMHIHYPZGGOK-AWEZNQCLSA-N 2 2 275.396 1.181 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610942 365512535 /nfs/dbraw/zinc/51/25/35/365512535.db2.gz VTWVESFEYFFBDP-YPMHNXCESA-N 2 2 297.830 1.942 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1O ZINC000273610942 365512540 /nfs/dbraw/zinc/51/25/40/365512540.db2.gz VTWVESFEYFFBDP-YPMHNXCESA-N 2 2 297.830 1.942 20 10 CDCDLP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000124816891 391227061 /nfs/dbraw/zinc/22/70/61/391227061.db2.gz GROVLMBEKRFLSG-CQSZACIVSA-N 2 2 263.385 1.036 20 10 CDCDLP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000124816891 391227065 /nfs/dbraw/zinc/22/70/65/391227065.db2.gz GROVLMBEKRFLSG-CQSZACIVSA-N 2 2 263.385 1.036 20 10 CDCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297704443 392442327 /nfs/dbraw/zinc/44/23/27/392442327.db2.gz MNNHOLIODUWJDY-KBPBESRZSA-N 2 2 275.396 1.215 20 10 CDCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297704443 392442331 /nfs/dbraw/zinc/44/23/31/392442331.db2.gz MNNHOLIODUWJDY-KBPBESRZSA-N 2 2 275.396 1.215 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803337 525487086 /nfs/dbraw/zinc/48/70/86/525487086.db2.gz DWKMDSKKRSJBCA-DGCLKSJQSA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803337 525487093 /nfs/dbraw/zinc/48/70/93/525487093.db2.gz DWKMDSKKRSJBCA-DGCLKSJQSA-N 2 2 281.375 1.428 20 10 CDCDLP Cc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1O ZINC000818430912 618508356 /nfs/dbraw/zinc/50/83/56/618508356.db2.gz BNFQIKCJNCCHLU-LSDHHAIUSA-N 2 2 286.379 1.361 20 10 CDCDLP Cc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1O ZINC000818430912 618508364 /nfs/dbraw/zinc/50/83/64/618508364.db2.gz BNFQIKCJNCCHLU-LSDHHAIUSA-N 2 2 286.379 1.361 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1C ZINC000258963437 901029975 /nfs/dbraw/zinc/02/99/75/901029975.db2.gz SAQJLDFLZZKAOP-ZDUSSCGKSA-N 2 2 250.342 1.082 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000841027702 936971516 /nfs/dbraw/zinc/97/15/16/936971516.db2.gz FMDXOHQFHOSYQA-KRWDZBQOSA-N 3 2 288.439 1.265 20 10 CDCDLP CCn1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041813 936973125 /nfs/dbraw/zinc/97/31/25/936973125.db2.gz FPWOUJYVWBHUGX-MRXNPFEDSA-N 2 2 287.411 1.759 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001253213713 930149799 /nfs/dbraw/zinc/14/97/99/930149799.db2.gz NRRPHNVKWSFEFU-OAHLLOKOSA-N 2 2 280.412 1.796 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C)cc1O ZINC000817982023 930658118 /nfs/dbraw/zinc/65/81/18/930658118.db2.gz AYYXMGCPRCECNB-JSGCOSHPSA-N 2 2 264.369 1.730 20 10 CDCDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391134 931043051 /nfs/dbraw/zinc/04/30/51/931043051.db2.gz IANBDYXADWPCAT-CYBMUJFWSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391134 931043057 /nfs/dbraw/zinc/04/30/57/931043057.db2.gz IANBDYXADWPCAT-CYBMUJFWSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821391134 931043061 /nfs/dbraw/zinc/04/30/61/931043061.db2.gz IANBDYXADWPCAT-CYBMUJFWSA-N 2 2 252.358 1.137 20 10 CDCDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391134 931043067 /nfs/dbraw/zinc/04/30/67/931043067.db2.gz IANBDYXADWPCAT-CYBMUJFWSA-N 2 2 252.358 1.137 20 10 CDCDLP CN(C)c1ccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001275585082 931895220 /nfs/dbraw/zinc/89/52/20/931895220.db2.gz NHSCYQDIQVZJQO-UHFFFAOYSA-N 2 2 275.396 1.596 20 10 CDCDLP CN(C)c1ccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c(O)c1 ZINC001275585082 931895227 /nfs/dbraw/zinc/89/52/27/931895227.db2.gz NHSCYQDIQVZJQO-UHFFFAOYSA-N 2 2 275.396 1.596 20 10 CDCDLP C[N@@H+]1CCc2ncnc(N3C[C@H]([NH3+])Cc4ccccc43)c2C1 ZINC001162847226 939151692 /nfs/dbraw/zinc/15/16/92/939151692.db2.gz KONBENDKOJVDIO-CYBMUJFWSA-N 2 2 295.390 1.486 20 10 CDCDLP C[N@H+]1CCc2ncnc(N3C[C@H]([NH3+])Cc4ccccc43)c2C1 ZINC001162847226 939151694 /nfs/dbraw/zinc/15/16/94/939151694.db2.gz KONBENDKOJVDIO-CYBMUJFWSA-N 2 2 295.390 1.486 20 10 CDCDLP Oc1c(Cl)cccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100235 941565577 /nfs/dbraw/zinc/56/55/77/941565577.db2.gz ZEAFZLVJYGOZHP-UHFFFAOYSA-N 2 2 295.814 1.573 20 10 CDCDLP Oc1c(Cl)cccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100235 941565581 /nfs/dbraw/zinc/56/55/81/941565581.db2.gz ZEAFZLVJYGOZHP-UHFFFAOYSA-N 2 2 295.814 1.573 20 10 CDCDLP C[N@H+](CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947295 944620516 /nfs/dbraw/zinc/62/05/16/944620516.db2.gz QDJQQZIXLFHYHO-UHFFFAOYSA-N 2 2 283.366 1.979 20 10 CDCDLP C[N@@H+](CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947295 944620519 /nfs/dbraw/zinc/62/05/19/944620519.db2.gz QDJQQZIXLFHYHO-UHFFFAOYSA-N 2 2 283.366 1.979 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000393982298 944665658 /nfs/dbraw/zinc/66/56/58/944665658.db2.gz UXVVHGILDFKRDW-ZYHUDNBSSA-N 2 2 250.342 1.712 20 10 CDCDLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000393982298 944665660 /nfs/dbraw/zinc/66/56/60/944665660.db2.gz UXVVHGILDFKRDW-ZYHUDNBSSA-N 2 2 250.342 1.712 20 10 CDCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001331835577 957290315 /nfs/dbraw/zinc/29/03/15/957290315.db2.gz RIBGSHBEUZESPV-FRRDWIJNSA-N 2 2 276.380 1.827 20 10 CDCDLP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000020506272 171228559 /nfs/dbraw/zinc/22/85/59/171228559.db2.gz OIUZTMVUWZFFAY-UHFFFAOYSA-N 2 2 261.325 1.777 20 10 CDCDLP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841043902 618678321 /nfs/dbraw/zinc/67/83/21/618678321.db2.gz YZMXHKDNNFFIAI-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841032634 621025122 /nfs/dbraw/zinc/02/51/22/621025122.db2.gz IKSCPTMROVXYGY-NSHDSACASA-N 2 2 250.342 1.633 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000818984589 786110993 /nfs/dbraw/zinc/11/09/93/786110993.db2.gz CULCTHKAJGHUFO-CQSZACIVSA-N 2 2 295.402 1.436 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000818984589 786111006 /nfs/dbraw/zinc/11/10/06/786111006.db2.gz CULCTHKAJGHUFO-CQSZACIVSA-N 2 2 295.402 1.436 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000107797417 789810478 /nfs/dbraw/zinc/81/04/78/789810478.db2.gz QTAMZXLUHCYFKQ-HNNXBMFYSA-N 3 2 276.428 1.265 20 10 CDCDLP C[NH+]1CCN(C2C[NH+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001140464596 896200009 /nfs/dbraw/zinc/20/00/09/896200009.db2.gz WOJDAZNFRHLZNU-UHFFFAOYSA-N 2 2 295.814 1.477 20 10 CDCDLP [NH3+]CCN(CC[NH3+])Cc1cc(Cl)cc(Cl)c1O ZINC001235877672 914342111 /nfs/dbraw/zinc/34/21/11/914342111.db2.gz SDYHIUDEARVIHD-UHFFFAOYSA-N 2 2 278.183 1.418 20 10 CDCDLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205287971 918830310 /nfs/dbraw/zinc/83/03/10/918830310.db2.gz FHXSOJMWFVXYPT-CQSZACIVSA-N 2 2 266.341 1.507 20 10 CDCDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205287971 918830318 /nfs/dbraw/zinc/83/03/18/918830318.db2.gz FHXSOJMWFVXYPT-CQSZACIVSA-N 2 2 266.341 1.507 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139410945 936617986 /nfs/dbraw/zinc/61/79/86/936617986.db2.gz NBWRITQKURFQRG-DLBZAZTESA-N 2 2 287.407 1.412 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139410945 936617987 /nfs/dbraw/zinc/61/79/87/936617987.db2.gz NBWRITQKURFQRG-DLBZAZTESA-N 2 2 287.407 1.412 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001253213709 930150026 /nfs/dbraw/zinc/15/00/26/930150026.db2.gz NRRPHNVKWSFEFU-HNNXBMFYSA-N 2 2 280.412 1.796 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300416290 261199478 /nfs/dbraw/zinc/19/94/78/261199478.db2.gz OOWAKBVNYSEMQF-KBPBESRZSA-N 2 2 280.343 1.484 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300416290 261199479 /nfs/dbraw/zinc/19/94/79/261199479.db2.gz OOWAKBVNYSEMQF-KBPBESRZSA-N 2 2 280.343 1.484 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618239 525421996 /nfs/dbraw/zinc/42/19/96/525421996.db2.gz DDGDQEYVHYGYTN-AAEUAGOBSA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1O ZINC000094618239 525422008 /nfs/dbraw/zinc/42/20/08/525422008.db2.gz DDGDQEYVHYGYTN-AAEUAGOBSA-N 2 2 281.375 1.428 20 10 CDCDLP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000765637369 576046938 /nfs/dbraw/zinc/04/69/38/576046938.db2.gz CNIYWWLZGTZXJW-OAHLLOKOSA-N 2 2 289.423 1.958 20 10 CDCDLP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000765637369 576046941 /nfs/dbraw/zinc/04/69/41/576046941.db2.gz CNIYWWLZGTZXJW-OAHLLOKOSA-N 2 2 289.423 1.958 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756551827 576995025 /nfs/dbraw/zinc/99/50/25/576995025.db2.gz AQBKVHOZUFDMMH-SCZZXKLOSA-N 2 2 274.311 1.244 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841043529 618678137 /nfs/dbraw/zinc/67/81/37/618678137.db2.gz SIRQIIBWOIOFBT-LLVKDONJSA-N 2 2 270.760 1.896 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982795 790542005 /nfs/dbraw/zinc/54/20/05/790542005.db2.gz HJRATNVXIHYXBH-IUODEOHRSA-N 2 2 263.385 1.392 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843387900 789886302 /nfs/dbraw/zinc/88/63/02/789886302.db2.gz PSAUTWYAALFAED-UHFFFAOYSA-N 2 2 266.316 1.655 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000843387900 789886306 /nfs/dbraw/zinc/88/63/06/789886306.db2.gz PSAUTWYAALFAED-UHFFFAOYSA-N 2 2 266.316 1.655 20 10 CDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898886 792820634 /nfs/dbraw/zinc/82/06/34/792820634.db2.gz CCZYDYZHKDEHNO-OCCSQVGLSA-N 2 2 295.402 1.748 20 10 CDCDLP C[NH2+]CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000841034895 795371702 /nfs/dbraw/zinc/37/17/02/795371702.db2.gz GPEHRUMKGVXVEG-UHFFFAOYSA-N 2 2 273.174 1.772 20 10 CDCDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045909 795821686 /nfs/dbraw/zinc/82/16/86/795821686.db2.gz LSURCZVODUNGJM-CMPLNLGQSA-N 2 2 278.352 1.823 20 10 CDCDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045909 795821687 /nfs/dbraw/zinc/82/16/87/795821687.db2.gz LSURCZVODUNGJM-CMPLNLGQSA-N 2 2 278.352 1.823 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843043802 796091574 /nfs/dbraw/zinc/09/15/74/796091574.db2.gz IAKSVQVMCJKYNI-MRXNPFEDSA-N 3 2 288.439 1.362 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843043802 796091585 /nfs/dbraw/zinc/09/15/85/796091585.db2.gz IAKSVQVMCJKYNI-MRXNPFEDSA-N 3 2 288.439 1.362 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1O ZINC000817981633 796270336 /nfs/dbraw/zinc/27/03/36/796270336.db2.gz MDGLMWSXNSWLSE-ONGXEEELSA-N 2 2 286.322 1.700 20 10 CDCDLP C[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141156195 936821308 /nfs/dbraw/zinc/82/13/08/936821308.db2.gz UGPOWGJDCLPPRO-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP C[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141156195 936821310 /nfs/dbraw/zinc/82/13/10/936821310.db2.gz UGPOWGJDCLPPRO-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1O ZINC001203664009 939700483 /nfs/dbraw/zinc/70/04/83/939700483.db2.gz LCTBPPNMXRAZSQ-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1O ZINC001203664009 939700484 /nfs/dbraw/zinc/70/04/84/939700484.db2.gz LCTBPPNMXRAZSQ-UHFFFAOYSA-N 2 2 297.830 1.725 20 10 CDCDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203881930 939711718 /nfs/dbraw/zinc/71/17/18/939711718.db2.gz YMNIZNPEAFJBIE-ZIAGYGMSSA-N 2 2 276.380 1.871 20 10 CDCDLP C[N@H+](Cc1ccc(O)cc1O)C1CC[NH+](C)CC1 ZINC001204272435 939749869 /nfs/dbraw/zinc/74/98/69/939749869.db2.gz NXXSZSYDZLOMIF-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP C[N@@H+](Cc1ccc(O)cc1O)C1CC[NH+](C)CC1 ZINC001204272435 939749870 /nfs/dbraw/zinc/74/98/70/939749870.db2.gz NXXSZSYDZLOMIF-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(O)c(O)cc1O ZINC001233487298 943596104 /nfs/dbraw/zinc/59/61/04/943596104.db2.gz XXCFCDITMGFFQQ-UHFFFAOYSA-N 2 2 277.324 1.522 20 10 CDCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(O)c(O)cc1O ZINC001233487298 943596109 /nfs/dbraw/zinc/59/61/09/943596109.db2.gz XXCFCDITMGFFQQ-UHFFFAOYSA-N 2 2 277.324 1.522 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235157129 944074481 /nfs/dbraw/zinc/07/44/81/944074481.db2.gz MEBVYWUPGARFPS-DOTOQJQBSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235157129 944074488 /nfs/dbraw/zinc/07/44/88/944074488.db2.gz MEBVYWUPGARFPS-DOTOQJQBSA-N 3 2 286.423 1.019 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981369 944345757 /nfs/dbraw/zinc/34/57/57/944345757.db2.gz QFGOTTPDZBABEY-DOTOQJQBSA-N 2 2 271.408 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981369 944345763 /nfs/dbraw/zinc/34/57/63/944345763.db2.gz QFGOTTPDZBABEY-DOTOQJQBSA-N 2 2 271.408 1.992 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC3([NH3+])CC3)cc2F)CC1 ZINC001334754842 959330391 /nfs/dbraw/zinc/33/03/91/959330391.db2.gz SSQNCQPVQCPYCA-UHFFFAOYSA-N 3 2 292.402 1.158 20 10 CDCDLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180453176 357271243 /nfs/dbraw/zinc/27/12/43/357271243.db2.gz KBOFTHMFHXOPOG-HNNXBMFYSA-N 2 2 290.407 1.855 20 10 CDCDLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180453176 357271245 /nfs/dbraw/zinc/27/12/45/357271245.db2.gz KBOFTHMFHXOPOG-HNNXBMFYSA-N 2 2 290.407 1.855 20 10 CDCDLP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841043792 618678055 /nfs/dbraw/zinc/67/80/55/618678055.db2.gz WIFBJJPXZFMJLR-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817965456 796836603 /nfs/dbraw/zinc/83/66/03/796836603.db2.gz VCQOOBGRSRGIIO-ZDUSSCGKSA-N 2 2 266.385 1.896 20 10 CDCDLP CCn1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041811 797890467 /nfs/dbraw/zinc/89/04/67/797890467.db2.gz FPWOUJYVWBHUGX-INIZCTEOSA-N 2 2 287.411 1.759 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC4(CCO4)C3)cc2)CC1 ZINC001139412322 936618298 /nfs/dbraw/zinc/61/82/98/936618298.db2.gz GAKVQNDZNFCXBE-UHFFFAOYSA-N 2 2 287.407 1.413 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000775368804 921904830 /nfs/dbraw/zinc/90/48/30/921904830.db2.gz GHTPJORSRMOWBH-OLZOCXBDSA-N 2 2 294.395 1.508 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)CCC[NH+](C)C)c(OC)c1 ZINC001141032135 936796038 /nfs/dbraw/zinc/79/60/38/936796038.db2.gz UGOUTEAXYJWAFW-UHFFFAOYSA-N 2 2 282.384 1.793 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)CCC[NH+](C)C)c(OC)c1 ZINC001141032135 936796039 /nfs/dbraw/zinc/79/60/39/936796039.db2.gz UGOUTEAXYJWAFW-UHFFFAOYSA-N 2 2 282.384 1.793 20 10 CDCDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000107797352 926918152 /nfs/dbraw/zinc/91/81/52/926918152.db2.gz BNIDLYHYCLCHOR-QGZVFWFLSA-N 3 2 290.455 1.511 20 10 CDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000817958248 930645814 /nfs/dbraw/zinc/64/58/14/930645814.db2.gz UVWWUYAWMSYKMN-IUODEOHRSA-N 2 2 263.385 1.168 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2c(cc1O)CCCC2 ZINC000817982353 930658954 /nfs/dbraw/zinc/65/89/54/930658954.db2.gz CLUCYAHHTOEGLO-WFASDCNBSA-N 2 2 290.407 1.910 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702188 932115611 /nfs/dbraw/zinc/11/56/11/932115611.db2.gz GGRBYYJHYJWBIK-GXSJLCMTSA-N 2 2 295.339 1.621 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702188 932115615 /nfs/dbraw/zinc/11/56/15/932115615.db2.gz GGRBYYJHYJWBIK-GXSJLCMTSA-N 2 2 295.339 1.621 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702190 932116181 /nfs/dbraw/zinc/11/61/81/932116181.db2.gz GGRBYYJHYJWBIK-KOLCDFICSA-N 2 2 295.339 1.621 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702190 932116184 /nfs/dbraw/zinc/11/61/84/932116184.db2.gz GGRBYYJHYJWBIK-KOLCDFICSA-N 2 2 295.339 1.621 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001205674044 939915276 /nfs/dbraw/zinc/91/52/76/939915276.db2.gz YBIYYNIKECYOTR-AWEZNQCLSA-N 2 2 268.332 1.207 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001205674044 939915277 /nfs/dbraw/zinc/91/52/77/939915277.db2.gz YBIYYNIKECYOTR-AWEZNQCLSA-N 2 2 268.332 1.207 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235063096 944036678 /nfs/dbraw/zinc/03/66/78/944036678.db2.gz OBDGLLKTPBMPKM-OAHLLOKOSA-N 2 2 295.814 1.491 20 10 CDCDLP COc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000154406211 261091025 /nfs/dbraw/zinc/09/10/25/261091025.db2.gz HIFOAXBRCYDEMD-UHFFFAOYSA-N 2 2 286.379 1.714 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580890484 1172566562 /nfs/dbraw/zinc/56/65/62/1172566562.db2.gz LWTRXCUTNNNDIG-PVAVHDDUSA-N 2 2 287.407 1.506 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1O ZINC000879649315 1166392158 /nfs/dbraw/zinc/39/21/58/1166392158.db2.gz NBWVFDBILBHYKX-YPMHNXCESA-N 2 2 264.369 1.498 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1O ZINC000879649315 1166392160 /nfs/dbraw/zinc/39/21/60/1166392160.db2.gz NBWVFDBILBHYKX-YPMHNXCESA-N 2 2 264.369 1.498 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)CC1 ZINC000843044858 811817422 /nfs/dbraw/zinc/81/74/22/811817422.db2.gz LLXUFVFZEFZWNE-UHFFFAOYSA-N 3 2 288.439 1.234 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)CC1 ZINC000843044858 811817426 /nfs/dbraw/zinc/81/74/26/811817426.db2.gz LLXUFVFZEFZWNE-UHFFFAOYSA-N 3 2 288.439 1.234 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1c(O)cccc1F ZINC000886590148 812697183 /nfs/dbraw/zinc/69/71/83/812697183.db2.gz ORHSYBPKBMYDCJ-YGRLFVJLSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1c(O)cccc1F ZINC000886590148 812697192 /nfs/dbraw/zinc/69/71/92/812697192.db2.gz ORHSYBPKBMYDCJ-YGRLFVJLSA-N 2 2 268.332 1.249 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841036054 817363080 /nfs/dbraw/zinc/36/30/80/817363080.db2.gz NQTNYKKUQDRVEI-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204939289 939807286 /nfs/dbraw/zinc/80/72/86/939807286.db2.gz QIIXHASVOIWQPK-KRWDZBQOSA-N 3 2 288.439 1.409 20 10 CDCDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204939289 939807291 /nfs/dbraw/zinc/80/72/91/939807291.db2.gz QIIXHASVOIWQPK-KRWDZBQOSA-N 3 2 288.439 1.409 20 10 CDCDLP CN(C)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492382 941602313 /nfs/dbraw/zinc/60/23/13/941602313.db2.gz VPPWRHUSKXWMOF-IRXDYDNUSA-N 2 2 288.439 1.278 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001232841187 943416830 /nfs/dbraw/zinc/41/68/30/943416830.db2.gz XGFYNHWAYGFBFR-BBRMVZONSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001232841187 943416834 /nfs/dbraw/zinc/41/68/34/943416834.db2.gz XGFYNHWAYGFBFR-BBRMVZONSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(O)c1 ZINC001232841187 943416838 /nfs/dbraw/zinc/41/68/38/943416838.db2.gz XGFYNHWAYGFBFR-BBRMVZONSA-N 2 2 289.423 1.984 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(O)c1 ZINC001232841187 943416842 /nfs/dbraw/zinc/41/68/42/943416842.db2.gz XGFYNHWAYGFBFR-BBRMVZONSA-N 2 2 289.423 1.984 20 10 CDCDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990639 944355993 /nfs/dbraw/zinc/35/59/93/944355993.db2.gz KLSLXEODCPLWNK-WBVHZDCISA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990639 944356000 /nfs/dbraw/zinc/35/60/00/944356000.db2.gz KLSLXEODCPLWNK-WBVHZDCISA-N 3 2 286.423 1.019 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994173 944360523 /nfs/dbraw/zinc/36/05/23/944360523.db2.gz SLSJGDGCMQJMHT-XHDPSFHLSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994173 944360529 /nfs/dbraw/zinc/36/05/29/944360529.db2.gz SLSJGDGCMQJMHT-XHDPSFHLSA-N 2 2 278.352 1.333 20 10 CDCDLP COCCC[N@H+](Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001236945600 944620973 /nfs/dbraw/zinc/62/09/73/944620973.db2.gz HNRUYHDYLZZFJD-OAHLLOKOSA-N 2 2 263.385 1.469 20 10 CDCDLP COCCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001236945600 944620976 /nfs/dbraw/zinc/62/09/76/944620976.db2.gz HNRUYHDYLZZFJD-OAHLLOKOSA-N 2 2 263.385 1.469 20 10 CDCDLP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)[NH3+] ZINC000849350735 969939884 /nfs/dbraw/zinc/93/98/84/969939884.db2.gz UPHQDEJEZYVNJX-UHFFFAOYSA-N 2 2 295.402 1.831 20 10 CDCDLP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)[NH3+] ZINC000849350735 969939893 /nfs/dbraw/zinc/93/98/93/969939893.db2.gz UPHQDEJEZYVNJX-UHFFFAOYSA-N 2 2 295.402 1.831 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841043089 618677930 /nfs/dbraw/zinc/67/79/30/618677930.db2.gz OWIUUHOLVCEVRB-MRXNPFEDSA-N 3 2 288.439 1.280 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[NH2+]1 ZINC000841067695 621703752 /nfs/dbraw/zinc/70/37/52/621703752.db2.gz ONZDFIGOBPTFKF-MRXNPFEDSA-N 2 2 276.380 1.480 20 10 CDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087237 818026326 /nfs/dbraw/zinc/02/63/26/818026326.db2.gz RZVPKJGLOTTZFD-JTQLQIEISA-N 2 2 270.760 1.514 20 10 CDCDLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974929 818028260 /nfs/dbraw/zinc/02/82/60/818028260.db2.gz OKKPUWCRXDYFPX-NHYWBVRUSA-N 2 2 282.359 1.951 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841035275 818702719 /nfs/dbraw/zinc/70/27/19/818702719.db2.gz JOJKIMSJLLBIIS-LLVKDONJSA-N 2 2 270.760 1.896 20 10 CDCDLP C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052197 819213843 /nfs/dbraw/zinc/21/38/43/819213843.db2.gz PCFGBJYNQUGFJY-CMPLNLGQSA-N 2 2 278.352 1.680 20 10 CDCDLP C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052197 819213851 /nfs/dbraw/zinc/21/38/51/819213851.db2.gz PCFGBJYNQUGFJY-CMPLNLGQSA-N 2 2 278.352 1.680 20 10 CDCDLP Cc1cc(N(C)C)ccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000843121303 819829838 /nfs/dbraw/zinc/82/98/38/819829838.db2.gz CNNYLTPANOMLLA-MRXNPFEDSA-N 2 2 276.428 1.136 20 10 CDCDLP Cc1cc(N(C)C)ccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000843121303 819829840 /nfs/dbraw/zinc/82/98/40/819829840.db2.gz CNNYLTPANOMLLA-MRXNPFEDSA-N 2 2 276.428 1.136 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1O ZINC000841765272 821864028 /nfs/dbraw/zinc/86/40/28/821864028.db2.gz WYTLMGVPBKQZRF-MWLCHTKSSA-N 2 2 272.776 1.619 20 10 CDCDLP C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052200 822267901 /nfs/dbraw/zinc/26/79/01/822267901.db2.gz PCFGBJYNQUGFJY-ZYHUDNBSSA-N 2 2 278.352 1.680 20 10 CDCDLP C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052200 822267924 /nfs/dbraw/zinc/26/79/24/822267924.db2.gz PCFGBJYNQUGFJY-ZYHUDNBSSA-N 2 2 278.352 1.680 20 10 CDCDLP Nc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001162787570 939138679 /nfs/dbraw/zinc/13/86/79/939138679.db2.gz NKFISWPKGOGQOM-UHFFFAOYSA-N 2 2 283.379 1.686 20 10 CDCDLP Cc1cc(Cl)cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059215 944034063 /nfs/dbraw/zinc/03/40/63/944034063.db2.gz CLUJESCJTSLDGY-OAHLLOKOSA-N 2 2 295.814 1.491 20 10 CDCDLP Cc1cc(Cl)cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059215 944034073 /nfs/dbraw/zinc/03/40/73/944034073.db2.gz CLUJESCJTSLDGY-OAHLLOKOSA-N 2 2 295.814 1.491 20 10 CDCDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725659 944261636 /nfs/dbraw/zinc/26/16/36/944261636.db2.gz UARCUPJXYFTBLW-INIZCTEOSA-N 3 2 274.412 1.019 20 10 CDCDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725659 944261640 /nfs/dbraw/zinc/26/16/40/944261640.db2.gz UARCUPJXYFTBLW-INIZCTEOSA-N 3 2 274.412 1.019 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000273393085 292014008 /nfs/dbraw/zinc/01/40/08/292014008.db2.gz LFHUHWYVSZOBIT-LLVKDONJSA-N 2 2 292.379 1.924 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662442 260266479 /nfs/dbraw/zinc/26/64/79/260266479.db2.gz CAPDFOSQWUAFLH-HIFRSBDPSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091662442 260266480 /nfs/dbraw/zinc/26/64/80/260266480.db2.gz CAPDFOSQWUAFLH-HIFRSBDPSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742375016 576598616 /nfs/dbraw/zinc/59/86/16/576598616.db2.gz KUHPGLPMUBVXQN-NEPJUHHUSA-N 2 2 264.369 1.973 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742375016 576598618 /nfs/dbraw/zinc/59/86/18/576598618.db2.gz KUHPGLPMUBVXQN-NEPJUHHUSA-N 2 2 264.369 1.973 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000841067577 618680205 /nfs/dbraw/zinc/68/02/05/618680205.db2.gz NHFWGZYOLIPDHY-MRXNPFEDSA-N 2 2 295.402 1.750 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000841067871 618680598 /nfs/dbraw/zinc/68/05/98/618680598.db2.gz QBPDGPCYNARWLH-QGZVFWFLSA-N 2 2 291.439 1.919 20 10 CDCDLP CC[C@H](COC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046161 621590166 /nfs/dbraw/zinc/59/01/66/621590166.db2.gz XEJUNLUIWXTUBC-HIFRSBDPSA-N 2 2 265.401 1.767 20 10 CDCDLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851274 828545527 /nfs/dbraw/zinc/54/55/27/828545527.db2.gz WBTGTMCZIWTVGK-LSDHHAIUSA-N 2 2 290.407 1.816 20 10 CDCDLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851274 828545536 /nfs/dbraw/zinc/54/55/36/828545536.db2.gz WBTGTMCZIWTVGK-LSDHHAIUSA-N 2 2 290.407 1.816 20 10 CDCDLP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841049226 824105058 /nfs/dbraw/zinc/10/50/58/824105058.db2.gz OMWVXEQKJIYVQY-QMMMGPOBSA-N 2 2 273.174 1.839 20 10 CDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841058503 825065203 /nfs/dbraw/zinc/06/52/03/825065203.db2.gz IEIPKBILJFJUOG-BXUZGUMPSA-N 2 2 265.376 1.979 20 10 CDCDLP CCOC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045824 825340491 /nfs/dbraw/zinc/34/04/91/825340491.db2.gz QYEFEDNWTVKUMW-DOMZBBRYSA-N 2 2 265.401 1.767 20 10 CDCDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000796936124 826063120 /nfs/dbraw/zinc/06/31/20/826063120.db2.gz DSRVMCVTWIXOSM-UKRRQHHQSA-N 2 2 282.359 1.639 20 10 CDCDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000796936124 826063129 /nfs/dbraw/zinc/06/31/29/826063129.db2.gz DSRVMCVTWIXOSM-UKRRQHHQSA-N 2 2 282.359 1.639 20 10 CDCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817983744 828164120 /nfs/dbraw/zinc/16/41/20/828164120.db2.gz PIYGZHZGBWMDRA-CJNGLKHVSA-N 2 2 277.412 1.782 20 10 CDCDLP CC[N@H+](CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863644438 828302013 /nfs/dbraw/zinc/30/20/13/828302013.db2.gz WIAGFOIWYVMPCY-UHFFFAOYSA-N 3 2 276.428 1.219 20 10 CDCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863644438 828302023 /nfs/dbraw/zinc/30/20/23/828302023.db2.gz WIAGFOIWYVMPCY-UHFFFAOYSA-N 3 2 276.428 1.219 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001206163834 911535974 /nfs/dbraw/zinc/53/59/74/911535974.db2.gz GIFGFQYKTPJBPP-RYUDHWBXSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001206163834 911535983 /nfs/dbraw/zinc/53/59/83/911535983.db2.gz GIFGFQYKTPJBPP-RYUDHWBXSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1F ZINC001206185178 912127029 /nfs/dbraw/zinc/12/70/29/912127029.db2.gz LIFIPTVDHPICOX-VHSXEESVSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1F ZINC001206185178 912127055 /nfs/dbraw/zinc/12/70/55/912127055.db2.gz LIFIPTVDHPICOX-VHSXEESVSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001205690903 924518737 /nfs/dbraw/zinc/51/87/37/924518737.db2.gz YUAIBHKAUWEWLL-AWEZNQCLSA-N 2 2 284.787 1.721 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001205690903 924518743 /nfs/dbraw/zinc/51/87/43/924518743.db2.gz YUAIBHKAUWEWLL-AWEZNQCLSA-N 2 2 284.787 1.721 20 10 CDCDLP FC1(F)C[NH2+]C[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218276059 941050379 /nfs/dbraw/zinc/05/03/79/941050379.db2.gz ABAODNKLJNAUQB-AWEZNQCLSA-N 2 2 297.349 1.472 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)[NH3+])cc2F)CC1 ZINC001325268623 953806352 /nfs/dbraw/zinc/80/63/52/953806352.db2.gz SGGCWEQUFJZWMH-UHFFFAOYSA-N 3 2 294.418 1.404 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221366127 357228255 /nfs/dbraw/zinc/22/82/55/357228255.db2.gz AYVXTZQJGFXQBI-SMDDNHRTSA-N 2 2 262.353 1.585 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221366127 357228259 /nfs/dbraw/zinc/22/82/59/357228259.db2.gz AYVXTZQJGFXQBI-SMDDNHRTSA-N 2 2 262.353 1.585 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]CC[N@H+](CC)CCO)c1 ZINC000184545559 357487913 /nfs/dbraw/zinc/48/79/13/357487913.db2.gz OJHXGSSGPHIUCB-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]CC[N@@H+](CC)CCO)c1 ZINC000184545559 357487917 /nfs/dbraw/zinc/48/79/17/357487917.db2.gz OJHXGSSGPHIUCB-UHFFFAOYSA-N 2 2 282.384 1.195 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000273438420 365496036 /nfs/dbraw/zinc/49/60/36/365496036.db2.gz XQEACAPNBPLGSH-LLVKDONJSA-N 2 2 289.335 1.726 20 10 CDCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185392107 262052952 /nfs/dbraw/zinc/05/29/52/262052952.db2.gz IMOJVSFLALTSAO-CHWSQXEVSA-N 2 2 295.402 1.818 20 10 CDCDLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942917 829284641 /nfs/dbraw/zinc/28/46/41/829284641.db2.gz RNHBAPVSRHZDKD-WQVCFCJDSA-N 2 2 277.412 1.767 20 10 CDCDLP COc1ccc(N2CC[NH+](CCC[NH3+])CC2)c(OC)c1 ZINC000074415245 829576476 /nfs/dbraw/zinc/57/64/76/829576476.db2.gz OTGZOAFIAPNNSK-UHFFFAOYSA-N 2 2 279.384 1.175 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843353601 834467762 /nfs/dbraw/zinc/46/77/62/834467762.db2.gz LSBZDDDXXVZQCL-YMTOWFKASA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843353601 834467778 /nfs/dbraw/zinc/46/77/78/834467778.db2.gz LSBZDDDXXVZQCL-YMTOWFKASA-N 2 2 280.343 1.903 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841046240 834472553 /nfs/dbraw/zinc/47/25/53/834472553.db2.gz YHWWJTOMGYWWJN-XJKSGUPXSA-N 2 2 277.412 1.769 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817959276 834828336 /nfs/dbraw/zinc/82/83/36/834828336.db2.gz FADFYZMGXJDHNC-NOZJJQNGSA-N 2 2 278.352 1.567 20 10 CDCDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973029 835145029 /nfs/dbraw/zinc/14/50/29/835145029.db2.gz BAYOTWRREKIORA-XHDPSFHLSA-N 2 2 282.359 1.951 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1O ZINC001140747981 898171059 /nfs/dbraw/zinc/17/10/59/898171059.db2.gz QCIUVSJABWXHLE-OCCSQVGLSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1O ZINC001140747981 898171068 /nfs/dbraw/zinc/17/10/68/898171068.db2.gz QCIUVSJABWXHLE-OCCSQVGLSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1O ZINC001140747981 898171074 /nfs/dbraw/zinc/17/10/74/898171074.db2.gz QCIUVSJABWXHLE-OCCSQVGLSA-N 2 2 276.380 1.932 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1O ZINC001140747981 898171081 /nfs/dbraw/zinc/17/10/81/898171081.db2.gz QCIUVSJABWXHLE-OCCSQVGLSA-N 2 2 276.380 1.932 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001206097001 931161693 /nfs/dbraw/zinc/16/16/93/931161693.db2.gz FAJAGUMYFWWFRI-GDBMZVCRSA-N 2 2 272.348 1.439 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001206097001 931161698 /nfs/dbraw/zinc/16/16/98/931161698.db2.gz FAJAGUMYFWWFRI-GDBMZVCRSA-N 2 2 272.348 1.439 20 10 CDCDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276359704 935049740 /nfs/dbraw/zinc/04/97/40/935049740.db2.gz KVHZDOFCYHYVNO-UHFFFAOYSA-N 2 2 293.386 1.211 20 10 CDCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348807 939759304 /nfs/dbraw/zinc/75/93/04/939759304.db2.gz IQEVEDWETXCVSU-UHFFFAOYSA-N 2 2 282.384 1.880 20 10 CDCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348807 939759306 /nfs/dbraw/zinc/75/93/06/939759306.db2.gz IQEVEDWETXCVSU-UHFFFAOYSA-N 2 2 282.384 1.880 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829993 939942661 /nfs/dbraw/zinc/94/26/61/939942661.db2.gz QLFGAQCTYPFWAY-UWVGGRQHSA-N 2 2 266.341 1.363 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829993 939942662 /nfs/dbraw/zinc/94/26/62/939942662.db2.gz QLFGAQCTYPFWAY-UWVGGRQHSA-N 2 2 266.341 1.363 20 10 CDCDLP Oc1cc(Cl)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051682 944024625 /nfs/dbraw/zinc/02/46/25/944024625.db2.gz BEUGBFFABAGGTO-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1cc(Cl)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051682 944024633 /nfs/dbraw/zinc/02/46/33/944024633.db2.gz BEUGBFFABAGGTO-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000184546965 357487966 /nfs/dbraw/zinc/48/79/66/357487966.db2.gz PXAZZRUWPWPNCA-UHFFFAOYSA-N 2 2 264.369 1.025 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000184546965 357487970 /nfs/dbraw/zinc/48/79/70/357487970.db2.gz PXAZZRUWPWPNCA-UHFFFAOYSA-N 2 2 264.369 1.025 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665157 390904026 /nfs/dbraw/zinc/90/40/26/390904026.db2.gz RZJKNIKDUWMASC-OAHLLOKOSA-N 2 2 290.407 1.855 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665157 390904028 /nfs/dbraw/zinc/90/40/28/390904028.db2.gz RZJKNIKDUWMASC-OAHLLOKOSA-N 2 2 290.407 1.855 20 10 CDCDLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1OCC2 ZINC000112839299 391140040 /nfs/dbraw/zinc/14/00/40/391140040.db2.gz MFXPTDRNEQZZAP-CVEARBPZSA-N 2 2 288.391 1.574 20 10 CDCDLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc2c1OCC2 ZINC000112839299 391140044 /nfs/dbraw/zinc/14/00/44/391140044.db2.gz MFXPTDRNEQZZAP-CVEARBPZSA-N 2 2 288.391 1.574 20 10 CDCDLP Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000264978898 526364231 /nfs/dbraw/zinc/36/42/31/526364231.db2.gz SYASACJRPXLLNU-NSHDSACASA-N 2 2 284.787 1.592 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000841040890 618677225 /nfs/dbraw/zinc/67/72/25/618677225.db2.gz BPYIQMRAYIYBBO-PGEKIEPBSA-N 3 2 290.455 1.860 20 10 CDCDLP COC[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841066526 618680293 /nfs/dbraw/zinc/68/02/93/618680293.db2.gz MMIPOUNFPNPZAI-MRXNPFEDSA-N 2 2 277.412 1.611 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841035805 621081032 /nfs/dbraw/zinc/08/10/32/621081032.db2.gz MQTIRZDCTIIBHA-OAHLLOKOSA-N 2 2 275.396 1.365 20 10 CDCDLP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000902519251 624920093 /nfs/dbraw/zinc/92/00/93/624920093.db2.gz YLGCVVCCQXLAQQ-ZACQAIPSSA-N 2 2 290.455 1.825 20 10 CDCDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226390 835823957 /nfs/dbraw/zinc/82/39/57/835823957.db2.gz MTYLEFNJZAVLRM-XHDPSFHLSA-N 2 2 276.336 1.434 20 10 CDCDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000857226390 835823961 /nfs/dbraw/zinc/82/39/61/835823961.db2.gz MTYLEFNJZAVLRM-XHDPSFHLSA-N 2 2 276.336 1.434 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511451 836879820 /nfs/dbraw/zinc/87/98/20/836879820.db2.gz UHJDJKYGBABKAU-VXGBXAGGSA-N 2 2 282.359 1.639 20 10 CDCDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841029978 838149954 /nfs/dbraw/zinc/14/99/54/838149954.db2.gz IGZADMWCFGKDOV-NSHDSACASA-N 2 2 297.355 1.916 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CC2=CCCOC2)cc1 ZINC000863642060 838810302 /nfs/dbraw/zinc/81/03/02/838810302.db2.gz PPJBIVQQMYWBOK-INIZCTEOSA-N 2 2 275.396 1.689 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1O ZINC000817981631 840498215 /nfs/dbraw/zinc/49/82/15/840498215.db2.gz MDGLMWSXNSWLSE-MWLCHTKSSA-N 2 2 286.322 1.700 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000853248150 842547589 /nfs/dbraw/zinc/54/75/89/842547589.db2.gz CFANRECCCCAQAM-AWEZNQCLSA-N 3 2 276.428 1.136 20 10 CDCDLP Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862466248 929418500 /nfs/dbraw/zinc/41/85/00/929418500.db2.gz XTEWYUNATUPMAF-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862466248 929418505 /nfs/dbraw/zinc/41/85/05/929418505.db2.gz XTEWYUNATUPMAF-AWEZNQCLSA-N 2 2 291.395 1.130 20 10 CDCDLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203881927 939711578 /nfs/dbraw/zinc/71/15/78/939711578.db2.gz YMNIZNPEAFJBIE-KBPBESRZSA-N 2 2 276.380 1.871 20 10 CDCDLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217744143 941015049 /nfs/dbraw/zinc/01/50/49/941015049.db2.gz KDEQNWSBKSXFPR-KBPBESRZSA-N 2 2 295.346 1.541 20 10 CDCDLP FC1(F)C[NH2+]CC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218011048 941035273 /nfs/dbraw/zinc/03/52/73/941035273.db2.gz DNJBIQAEQBXSFD-CQSZACIVSA-N 2 2 297.349 1.472 20 10 CDCDLP Oc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000180200579 357251024 /nfs/dbraw/zinc/25/10/24/357251024.db2.gz JNUHXOMKWOMMFM-CYBMUJFWSA-N 2 2 294.370 1.685 20 10 CDCDLP Oc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000180200579 357251030 /nfs/dbraw/zinc/25/10/30/357251030.db2.gz JNUHXOMKWOMMFM-CYBMUJFWSA-N 2 2 294.370 1.685 20 10 CDCDLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800648 525348642 /nfs/dbraw/zinc/34/86/42/525348642.db2.gz SKOHVERWFZRSOO-AWEZNQCLSA-N 2 2 263.385 1.036 20 10 CDCDLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000068800648 525348646 /nfs/dbraw/zinc/34/86/46/525348646.db2.gz SKOHVERWFZRSOO-AWEZNQCLSA-N 2 2 263.385 1.036 20 10 CDCDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771832496 575622509 /nfs/dbraw/zinc/62/25/09/575622509.db2.gz IEWBCWGXFLNCAK-INIZCTEOSA-N 3 2 288.439 1.232 20 10 CDCDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771832496 575622515 /nfs/dbraw/zinc/62/25/15/575622515.db2.gz IEWBCWGXFLNCAK-INIZCTEOSA-N 3 2 288.439 1.232 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784872 576671341 /nfs/dbraw/zinc/67/13/41/576671341.db2.gz BEYUKHFKVFCBPG-LKFCYVNXSA-N 2 2 286.322 1.388 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784872 576671343 /nfs/dbraw/zinc/67/13/43/576671343.db2.gz BEYUKHFKVFCBPG-LKFCYVNXSA-N 2 2 286.322 1.388 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000841099710 618682246 /nfs/dbraw/zinc/68/22/46/618682246.db2.gz WERVYSUPOZFITJ-NSHDSACASA-N 2 2 286.759 1.132 20 10 CDCDLP COc1c(O)c(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000895293165 619525300 /nfs/dbraw/zinc/52/53/00/619525300.db2.gz GMGSJGNHNFROHE-JTQLQIEISA-N 2 2 297.355 1.739 20 10 CDCDLP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000902519248 624920040 /nfs/dbraw/zinc/92/00/40/624920040.db2.gz YLGCVVCCQXLAQQ-IKGGRYGDSA-N 2 2 290.455 1.825 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817964827 633058006 /nfs/dbraw/zinc/05/80/06/633058006.db2.gz KLPJZISKBZDWCP-LBPRGKRZSA-N 2 2 252.358 1.587 20 10 CDCDLP COc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1O ZINC000131732414 1175785990 /nfs/dbraw/zinc/78/59/90/1175785990.db2.gz ORILEODZSKRVCQ-UHFFFAOYSA-N 2 2 264.369 1.927 20 10 CDCDLP COc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1O ZINC000131732414 1175785992 /nfs/dbraw/zinc/78/59/92/1175785992.db2.gz ORILEODZSKRVCQ-UHFFFAOYSA-N 2 2 264.369 1.927 20 10 CDCDLP Oc1c(Br)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841027202 844601862 /nfs/dbraw/zinc/60/18/62/844601862.db2.gz ZQEVLIDGYNQPHF-UHFFFAOYSA-N 2 2 285.185 1.996 20 10 CDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000817983008 844632195 /nfs/dbraw/zinc/63/21/95/844632195.db2.gz JKZUBDMPVPUDCP-ZYHUDNBSSA-N 2 2 284.787 1.993 20 10 CDCDLP COc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000778189670 843330598 /nfs/dbraw/zinc/33/05/98/843330598.db2.gz SUWKUGYWPBJUSD-LBPRGKRZSA-N 2 2 273.336 1.702 20 10 CDCDLP CC[N@@H+](CC[NH3+])Cc1cc(Br)ccc1O ZINC000300762917 844685743 /nfs/dbraw/zinc/68/57/43/844685743.db2.gz NLSJLVDCZVCTQP-UHFFFAOYSA-N 2 2 273.174 1.935 20 10 CDCDLP CC[N@H+](CC[NH3+])Cc1cc(Br)ccc1O ZINC000300762917 844685737 /nfs/dbraw/zinc/68/57/37/844685737.db2.gz NLSJLVDCZVCTQP-UHFFFAOYSA-N 2 2 273.174 1.935 20 10 CDCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886525003 845994477 /nfs/dbraw/zinc/99/44/77/845994477.db2.gz VOMAWVBXFMFOGA-OLZOCXBDSA-N 2 2 295.402 1.818 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1O ZINC000133087227 846878977 /nfs/dbraw/zinc/87/89/77/846878977.db2.gz QMMQQGKVOHNMRP-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1O ZINC000133087227 846878982 /nfs/dbraw/zinc/87/89/82/846878982.db2.gz QMMQQGKVOHNMRP-CYBMUJFWSA-N 2 2 264.369 1.975 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085427 847456275 /nfs/dbraw/zinc/45/62/75/847456275.db2.gz CDJQFEYKDUADEL-ZDUSSCGKSA-N 2 2 250.342 1.631 20 10 CDCDLP C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C[NH+]1CCOCC1 ZINC000297540423 279351027 /nfs/dbraw/zinc/35/10/27/279351027.db2.gz FBCUDQCWBSYTNT-UKRRQHHQSA-N 2 2 290.407 1.937 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000226297450 1160334952 /nfs/dbraw/zinc/33/49/52/1160334952.db2.gz JBUBCGNHHCSDIT-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000226297450 1160334959 /nfs/dbraw/zinc/33/49/59/1160334959.db2.gz JBUBCGNHHCSDIT-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068801425 522856091 /nfs/dbraw/zinc/85/60/91/522856091.db2.gz SEICTMSSDSEJQC-UKRRQHHQSA-N 2 2 277.412 1.679 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068801425 522856098 /nfs/dbraw/zinc/85/60/98/522856098.db2.gz SEICTMSSDSEJQC-UKRRQHHQSA-N 2 2 277.412 1.679 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1O ZINC000841069651 618680880 /nfs/dbraw/zinc/68/08/80/618680880.db2.gz CESUVLIPKUMSLM-SNVBAGLBSA-N 2 2 273.174 1.982 20 10 CDCDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841071700 618681502 /nfs/dbraw/zinc/68/15/02/618681502.db2.gz IXBIPKCNHROFRJ-SECBINFHSA-N 2 2 269.301 1.136 20 10 CDCDLP Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843056971 618691052 /nfs/dbraw/zinc/69/10/52/618691052.db2.gz DKKYUYPTCPOFSA-WCQYABFASA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1cccc(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843056971 618691055 /nfs/dbraw/zinc/69/10/55/618691055.db2.gz DKKYUYPTCPOFSA-WCQYABFASA-N 2 2 250.342 1.249 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229924 697933957 /nfs/dbraw/zinc/93/39/57/697933957.db2.gz IYHONMDRUUPOFN-KBPBESRZSA-N 2 2 250.317 1.906 20 10 CDCDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843442 698017754 /nfs/dbraw/zinc/01/77/54/698017754.db2.gz CMWMBOHDCOTSCW-RYUDHWBXSA-N 2 2 282.384 1.364 20 10 CDCDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843442 698017758 /nfs/dbraw/zinc/01/77/58/698017758.db2.gz CMWMBOHDCOTSCW-RYUDHWBXSA-N 2 2 282.384 1.364 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120305 698326628 /nfs/dbraw/zinc/32/66/28/698326628.db2.gz DPLQFWMNQNDDEC-AWEZNQCLSA-N 2 2 250.317 1.717 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817982538 698821423 /nfs/dbraw/zinc/82/14/23/698821423.db2.gz DZMQYRSDBGJOEE-AAEUAGOBSA-N 2 2 250.342 1.421 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000817943313 848262238 /nfs/dbraw/zinc/26/22/38/848262238.db2.gz UHBHWXOGBUISCX-APHBMKBZSA-N 2 2 277.412 1.910 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000702652495 848549143 /nfs/dbraw/zinc/54/91/43/848549143.db2.gz LISNYEKQHCAJRX-YGRLFVJLSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000702652495 848549152 /nfs/dbraw/zinc/54/91/52/848549152.db2.gz LISNYEKQHCAJRX-YGRLFVJLSA-N 2 2 268.332 1.249 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817980838 849579601 /nfs/dbraw/zinc/57/96/01/849579601.db2.gz XJJFXCJPBDAUGP-KOLCDFICSA-N 2 2 266.341 1.567 20 10 CDCDLP Cc1c[nH]nc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283604 849785488 /nfs/dbraw/zinc/78/54/88/849785488.db2.gz LRWIVFIHCZNWAY-UHFFFAOYSA-N 2 2 299.422 1.760 20 10 CDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902405 849803539 /nfs/dbraw/zinc/80/35/39/849803539.db2.gz PSAJFGDHOCQEQZ-WFASDCNBSA-N 2 2 276.380 1.478 20 10 CDCDLP COc1cccc(O)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857226527 850152091 /nfs/dbraw/zinc/15/20/91/850152091.db2.gz QNMLAYQGMUXPGL-IAQYHMDHSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cccc(O)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857226527 850152097 /nfs/dbraw/zinc/15/20/97/850152097.db2.gz QNMLAYQGMUXPGL-IAQYHMDHSA-N 2 2 262.353 1.714 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817982539 850435907 /nfs/dbraw/zinc/43/59/07/850435907.db2.gz DZMQYRSDBGJOEE-DGCLKSJQSA-N 2 2 250.342 1.421 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1C ZINC000228722743 393235000 /nfs/dbraw/zinc/23/50/00/393235000.db2.gz CWTJIZKNASKZOP-OAHLLOKOSA-N 2 2 266.385 1.406 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219806562 333157354 /nfs/dbraw/zinc/15/73/54/333157354.db2.gz GWIZOQWLXMSAHL-WCQYABFASA-N 2 2 262.353 1.585 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219806562 333157355 /nfs/dbraw/zinc/15/73/55/333157355.db2.gz GWIZOQWLXMSAHL-WCQYABFASA-N 2 2 262.353 1.585 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362685 709825770 /nfs/dbraw/zinc/82/57/70/709825770.db2.gz NPFXUSHNUFQARO-MWLCHTKSSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362685 709825772 /nfs/dbraw/zinc/82/57/72/709825772.db2.gz NPFXUSHNUFQARO-MWLCHTKSSA-N 2 2 280.343 1.903 20 10 CDCDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000228667878 711807476 /nfs/dbraw/zinc/80/74/76/711807476.db2.gz WBZAGMAMXTZQFL-GHMZBOCLSA-N 2 2 282.771 1.705 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(F)cc1O ZINC001142527516 908867672 /nfs/dbraw/zinc/86/76/72/908867672.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 2 2 299.365 1.350 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(F)cc1O ZINC001142527516 908867689 /nfs/dbraw/zinc/86/76/89/908867689.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 2 2 299.365 1.350 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001203634409 939698946 /nfs/dbraw/zinc/69/89/46/939698946.db2.gz DWKVXIYTCPKJCP-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001203634409 939698947 /nfs/dbraw/zinc/69/89/47/939698947.db2.gz DWKVXIYTCPKJCP-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(O)c1 ZINC001203634409 939698948 /nfs/dbraw/zinc/69/89/48/939698948.db2.gz DWKVXIYTCPKJCP-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC001203634409 939698949 /nfs/dbraw/zinc/69/89/49/939698949.db2.gz DWKVXIYTCPKJCP-DOMZBBRYSA-N 2 2 276.380 1.927 20 10 CDCDLP Oc1cccc(Cl)c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053807 944027008 /nfs/dbraw/zinc/02/70/08/944027008.db2.gz LDPNXFFLXOVRMQ-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP Oc1cccc(Cl)c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053807 944027014 /nfs/dbraw/zinc/02/70/14/944027014.db2.gz LDPNXFFLXOVRMQ-CQSZACIVSA-N 2 2 281.787 1.183 20 10 CDCDLP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235992461 944356650 /nfs/dbraw/zinc/35/66/50/944356650.db2.gz KVDYXFWMTMECSQ-BXUZGUMPSA-N 2 2 250.317 1.763 20 10 CDCDLP Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235992461 944356656 /nfs/dbraw/zinc/35/66/56/944356656.db2.gz KVDYXFWMTMECSQ-BXUZGUMPSA-N 2 2 250.317 1.763 20 10 CDCDLP Oc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000179569372 391211341 /nfs/dbraw/zinc/21/13/41/391211341.db2.gz HSXXMFGHBBZUNV-HNNXBMFYSA-N 2 2 290.407 1.936 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000068800168 521364829 /nfs/dbraw/zinc/36/48/29/521364829.db2.gz FAGDUGHSUJFAEC-CQSZACIVSA-N 2 2 293.411 1.126 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000068800168 521364841 /nfs/dbraw/zinc/36/48/41/521364841.db2.gz FAGDUGHSUJFAEC-CQSZACIVSA-N 2 2 293.411 1.126 20 10 CDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841087654 628479157 /nfs/dbraw/zinc/47/91/57/628479157.db2.gz UVKHKDKBKQBVAI-MRXNPFEDSA-N 2 2 289.423 1.753 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817896936 712201025 /nfs/dbraw/zinc/20/10/25/712201025.db2.gz ZMWBXGMGTLYLOY-IRXDYDNUSA-N 2 2 289.423 1.609 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc(N)s2)cc1 ZINC000843126697 712225593 /nfs/dbraw/zinc/22/55/93/712225593.db2.gz UNXMJYVYODGNOI-CYBMUJFWSA-N 2 2 291.424 1.581 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000817943298 712462301 /nfs/dbraw/zinc/46/23/01/712462301.db2.gz UCWRQSWAMTWZDC-KNPMLCFXSA-N 2 2 277.412 1.908 20 10 CDCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140949833 936783364 /nfs/dbraw/zinc/78/33/64/936783364.db2.gz IDAPJAMFZXGYIN-DOTOQJQBSA-N 2 2 290.407 1.853 20 10 CDCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140949833 936783366 /nfs/dbraw/zinc/78/33/66/936783366.db2.gz IDAPJAMFZXGYIN-DOTOQJQBSA-N 2 2 290.407 1.853 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140949833 936783368 /nfs/dbraw/zinc/78/33/68/936783368.db2.gz IDAPJAMFZXGYIN-DOTOQJQBSA-N 2 2 290.407 1.853 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140949833 936783369 /nfs/dbraw/zinc/78/33/69/936783369.db2.gz IDAPJAMFZXGYIN-DOTOQJQBSA-N 2 2 290.407 1.853 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048225 937107163 /nfs/dbraw/zinc/10/71/63/937107163.db2.gz CIURSHGWGOPEJN-SECBINFHSA-N 2 2 281.312 1.090 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048225 937107165 /nfs/dbraw/zinc/10/71/65/937107165.db2.gz CIURSHGWGOPEJN-SECBINFHSA-N 2 2 281.312 1.090 20 10 CDCDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000857226574 928683179 /nfs/dbraw/zinc/68/31/79/928683179.db2.gz RQWLKAKLISWQHU-RISCZKNCSA-N 2 2 250.317 1.845 20 10 CDCDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000857226574 928683182 /nfs/dbraw/zinc/68/31/82/928683182.db2.gz RQWLKAKLISWQHU-RISCZKNCSA-N 2 2 250.317 1.845 20 10 CDCDLP Oc1cc(O)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235123024 944062459 /nfs/dbraw/zinc/06/24/59/944062459.db2.gz XCTYSMODQUEPKQ-OAHLLOKOSA-N 2 2 278.352 1.521 20 10 CDCDLP Oc1cc(O)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235123024 944062469 /nfs/dbraw/zinc/06/24/69/944062469.db2.gz XCTYSMODQUEPKQ-OAHLLOKOSA-N 2 2 278.352 1.521 20 10 CDCDLP COCC[N@H+](C)CC[NH2+]Cc1cccc(OC)c1O ZINC000061375431 523607187 /nfs/dbraw/zinc/60/71/87/523607187.db2.gz WQBWOFVFVJFIQM-UHFFFAOYSA-N 2 2 268.357 1.069 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+]Cc1cccc(OC)c1O ZINC000061375431 523607195 /nfs/dbraw/zinc/60/71/95/523607195.db2.gz WQBWOFVFVJFIQM-UHFFFAOYSA-N 2 2 268.357 1.069 20 10 CDCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000061375649 523610239 /nfs/dbraw/zinc/61/02/39/523610239.db2.gz IWYKDWUTUYAOCU-LBPRGKRZSA-N 2 2 252.358 1.621 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000061375649 523610247 /nfs/dbraw/zinc/61/02/47/523610247.db2.gz IWYKDWUTUYAOCU-LBPRGKRZSA-N 2 2 252.358 1.621 20 10 CDCDLP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841043904 618678611 /nfs/dbraw/zinc/67/86/11/618678611.db2.gz YZMXHKDNNFFIAI-LBPRGKRZSA-N 2 2 250.342 1.633 20 10 CDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000808693996 1162902516 /nfs/dbraw/zinc/90/25/16/1162902516.db2.gz XHULROOXHYNYJO-CMPLNLGQSA-N 2 2 286.803 1.927 20 10 CDCDLP COc1cc(Cl)cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000229104529 912066424 /nfs/dbraw/zinc/06/64/24/912066424.db2.gz DIJZQZYJPLADPQ-LBPRGKRZSA-N 2 2 299.802 1.129 20 10 CDCDLP COc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000229104529 912066437 /nfs/dbraw/zinc/06/64/37/912066437.db2.gz DIJZQZYJPLADPQ-LBPRGKRZSA-N 2 2 299.802 1.129 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000252668405 916519515 /nfs/dbraw/zinc/51/95/15/916519515.db2.gz WLZQDQUSSSRVSI-JKSUJKDBSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000252668405 916519521 /nfs/dbraw/zinc/51/95/21/916519521.db2.gz WLZQDQUSSSRVSI-JKSUJKDBSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000841079192 936974936 /nfs/dbraw/zinc/97/49/36/936974936.db2.gz MUKFYHLKBUPJDT-QWRGUYRKSA-N 2 2 254.305 1.190 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000817944306 930641209 /nfs/dbraw/zinc/64/12/09/930641209.db2.gz ZAZRVSYAPNGRNO-XPKDYRNWSA-N 2 2 277.412 1.910 20 10 CDCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1C ZINC000817983603 930657558 /nfs/dbraw/zinc/65/75/58/930657558.db2.gz OOFIKZGLGXPUEF-OLZOCXBDSA-N 2 2 264.369 1.648 20 10 CDCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883291 939711690 /nfs/dbraw/zinc/71/16/90/939711690.db2.gz HHBVQJDWRQIXFS-BETUJISGSA-N 2 2 262.353 1.481 20 10 CDCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883291 939711693 /nfs/dbraw/zinc/71/16/93/939711693.db2.gz HHBVQJDWRQIXFS-BETUJISGSA-N 2 2 262.353 1.481 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883291 939711695 /nfs/dbraw/zinc/71/16/95/939711695.db2.gz HHBVQJDWRQIXFS-BETUJISGSA-N 2 2 262.353 1.481 20 10 CDCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883291 939711696 /nfs/dbraw/zinc/71/16/96/939711696.db2.gz HHBVQJDWRQIXFS-BETUJISGSA-N 2 2 262.353 1.481 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000841026024 945828398 /nfs/dbraw/zinc/82/83/98/945828398.db2.gz QBHRMDGZLUDCRB-CZUORRHYSA-N 2 2 275.396 1.445 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000841026024 945828403 /nfs/dbraw/zinc/82/84/03/945828403.db2.gz QBHRMDGZLUDCRB-CZUORRHYSA-N 2 2 275.396 1.445 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520334 368637639 /nfs/dbraw/zinc/63/76/39/368637639.db2.gz BDGVFUCQIPMWQC-ZFWWWQNUSA-N 2 2 295.402 1.818 20 10 CDCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520334 368637645 /nfs/dbraw/zinc/63/76/45/368637645.db2.gz BDGVFUCQIPMWQC-ZFWWWQNUSA-N 2 2 295.402 1.818 20 10 CDCDLP C[NH+]1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256211509 948242650 /nfs/dbraw/zinc/24/26/50/948242650.db2.gz YTLIVSROZNXDLR-UHFFFAOYSA-N 2 2 276.380 1.940 20 10 CDCDLP C[NH+]1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256211509 948242657 /nfs/dbraw/zinc/24/26/57/948242657.db2.gz YTLIVSROZNXDLR-UHFFFAOYSA-N 2 2 276.380 1.940 20 10 CDCDLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC000070144753 1171644455 /nfs/dbraw/zinc/64/44/55/1171644455.db2.gz HCABIUIEOFKHGC-MFKMUULPSA-N 2 2 250.342 1.570 20 10 CDCDLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC000070144753 1171644457 /nfs/dbraw/zinc/64/44/57/1171644457.db2.gz HCABIUIEOFKHGC-MFKMUULPSA-N 2 2 250.342 1.570 20 10 CDCDLP COc1c(O)c(C[NH2+]CCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000278629592 521880336 /nfs/dbraw/zinc/88/03/36/521880336.db2.gz GTANVDCIBRANRD-UHFFFAOYSA-N 2 2 292.295 1.295 20 10 CDCDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1O)OCO2 ZINC000130627373 522806255 /nfs/dbraw/zinc/80/62/55/522806255.db2.gz KSAPBIZIOSHCAZ-UHFFFAOYSA-N 2 2 289.335 1.840 20 10 CDCDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1O)OCO2 ZINC000130627373 522806263 /nfs/dbraw/zinc/80/62/63/522806263.db2.gz KSAPBIZIOSHCAZ-UHFFFAOYSA-N 2 2 289.335 1.840 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000841041641 621550742 /nfs/dbraw/zinc/55/07/42/621550742.db2.gz CJWGGIPBURVHKJ-GFCCVEGCSA-N 2 2 250.342 1.633 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1F ZINC000841101204 630596005 /nfs/dbraw/zinc/59/60/05/630596005.db2.gz RRKIQKNWDOPNAK-CYBMUJFWSA-N 2 2 281.375 1.441 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1F ZINC000841101204 630596010 /nfs/dbraw/zinc/59/60/10/630596010.db2.gz RRKIQKNWDOPNAK-CYBMUJFWSA-N 2 2 281.375 1.441 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000925764473 678151737 /nfs/dbraw/zinc/15/17/37/678151737.db2.gz ZNFAARXDTQVPPZ-IAGOWNOFSA-N 3 2 288.439 1.408 20 10 CDCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000818996263 678736421 /nfs/dbraw/zinc/73/64/21/678736421.db2.gz CYDYSZIWQJVRIH-HNNXBMFYSA-N 2 2 276.380 1.166 20 10 CDCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000818996263 678736423 /nfs/dbraw/zinc/73/64/23/678736423.db2.gz CYDYSZIWQJVRIH-HNNXBMFYSA-N 2 2 276.380 1.166 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827549230 678961848 /nfs/dbraw/zinc/96/18/48/678961848.db2.gz FCZFQRZRYMLDOC-OAHLLOKOSA-N 2 2 294.370 1.874 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702193 679033894 /nfs/dbraw/zinc/03/38/94/679033894.db2.gz GGRBYYJHYJWBIK-ONGXEEELSA-N 2 2 295.339 1.621 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702193 679033896 /nfs/dbraw/zinc/03/38/96/679033896.db2.gz GGRBYYJHYJWBIK-ONGXEEELSA-N 2 2 295.339 1.621 20 10 CDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841059230 679105366 /nfs/dbraw/zinc/10/53/66/679105366.db2.gz NQUDPRAMTGFBHB-RHSMWYFYSA-N 2 2 289.423 1.611 20 10 CDCDLP COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226528 679204388 /nfs/dbraw/zinc/20/43/88/679204388.db2.gz QNMLAYQGMUXPGL-NHYWBVRUSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226528 679204391 /nfs/dbraw/zinc/20/43/91/679204391.db2.gz QNMLAYQGMUXPGL-NHYWBVRUSA-N 2 2 262.353 1.714 20 10 CDCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(F)c1O ZINC001138128545 936475796 /nfs/dbraw/zinc/47/57/96/936475796.db2.gz QRGZTPFYYAZEOP-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(F)c1O ZINC001138128545 936475797 /nfs/dbraw/zinc/47/57/97/936475797.db2.gz QRGZTPFYYAZEOP-UHFFFAOYSA-N 2 2 281.375 1.211 20 10 CDCDLP C[NH+](C)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156450 936821452 /nfs/dbraw/zinc/82/14/52/936821452.db2.gz YESSYESKMNQELH-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520328 368637837 /nfs/dbraw/zinc/63/78/37/368637837.db2.gz BDGVFUCQIPMWQC-HIFRSBDPSA-N 2 2 295.402 1.818 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000285520328 368637839 /nfs/dbraw/zinc/63/78/39/368637839.db2.gz BDGVFUCQIPMWQC-HIFRSBDPSA-N 2 2 295.402 1.818 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000756554882 576995467 /nfs/dbraw/zinc/99/54/67/576995467.db2.gz JVKLLICYMFTDSO-KOLCDFICSA-N 2 2 272.776 1.619 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000841025066 679815593 /nfs/dbraw/zinc/81/55/93/679815593.db2.gz ZSUPRFGSXBEQRV-ZWNOBZJWSA-N 2 2 250.342 1.712 20 10 CDCDLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000841025066 679815595 /nfs/dbraw/zinc/81/55/95/679815595.db2.gz ZSUPRFGSXBEQRV-ZWNOBZJWSA-N 2 2 250.342 1.712 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000843125966 681812407 /nfs/dbraw/zinc/81/24/07/681812407.db2.gz LRVXXSATGPAOOU-INIZCTEOSA-N 3 2 276.428 1.342 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+][C@H](C)C[NH3+])c1O ZINC000841059442 682013953 /nfs/dbraw/zinc/01/39/53/682013953.db2.gz DOSGHIYPYFKWDV-MRVPVSSYSA-N 2 2 273.174 1.900 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942448 682229732 /nfs/dbraw/zinc/22/97/32/682229732.db2.gz OXKQUZFLSZGXHP-BLLLJJGKSA-N 2 2 287.411 1.837 20 10 CDCDLP Nc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817958840 682629689 /nfs/dbraw/zinc/62/96/89/682629689.db2.gz ZOEIOAIPAOSHKF-CVEARBPZSA-N 2 2 275.396 1.168 20 10 CDCDLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000778186983 683299847 /nfs/dbraw/zinc/29/98/47/683299847.db2.gz BKHWFBIGWJZYSW-CQSZACIVSA-N 2 2 269.348 1.923 20 10 CDCDLP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000817902198 683395467 /nfs/dbraw/zinc/39/54/67/683395467.db2.gz KPTJMUFZTKORBK-IRXDYDNUSA-N 2 2 288.391 1.478 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817971488 683452547 /nfs/dbraw/zinc/45/25/47/683452547.db2.gz DOTVBHHCMJAQMB-BDAKNGLRSA-N 2 2 252.314 1.177 20 10 CDCDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843052990 683710778 /nfs/dbraw/zinc/71/07/78/683710778.db2.gz SCMYAICDAHZKFM-SNVBAGLBSA-N 2 2 295.339 1.350 20 10 CDCDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843052990 683710790 /nfs/dbraw/zinc/71/07/90/683710790.db2.gz SCMYAICDAHZKFM-SNVBAGLBSA-N 2 2 295.339 1.350 20 10 CDCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000702602537 684003939 /nfs/dbraw/zinc/00/39/39/684003939.db2.gz IKCHQWSZJGTXDM-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000702602537 684003945 /nfs/dbraw/zinc/00/39/45/684003945.db2.gz IKCHQWSZJGTXDM-CYBMUJFWSA-N 2 2 270.760 1.202 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000817965449 684010404 /nfs/dbraw/zinc/01/04/04/684010404.db2.gz VAKOEXRRQACCOL-SNVBAGLBSA-N 2 2 278.352 1.711 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001236174582 914736100 /nfs/dbraw/zinc/73/61/00/914736100.db2.gz XAGFGRAXEMIVSS-SNVBAGLBSA-N 2 2 260.259 1.944 20 10 CDCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140055276 936674628 /nfs/dbraw/zinc/67/46/28/936674628.db2.gz CKWPLWYLWCAPCJ-XJKSGUPXSA-N 2 2 294.370 1.684 20 10 CDCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140055276 936674629 /nfs/dbraw/zinc/67/46/29/936674629.db2.gz CKWPLWYLWCAPCJ-XJKSGUPXSA-N 2 2 294.370 1.684 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140055276 936674630 /nfs/dbraw/zinc/67/46/30/936674630.db2.gz CKWPLWYLWCAPCJ-XJKSGUPXSA-N 2 2 294.370 1.684 20 10 CDCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140055276 936674631 /nfs/dbraw/zinc/67/46/31/936674631.db2.gz CKWPLWYLWCAPCJ-XJKSGUPXSA-N 2 2 294.370 1.684 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802129 925078083 /nfs/dbraw/zinc/07/80/83/925078083.db2.gz AARAAIJJFFRHEW-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802129 925078093 /nfs/dbraw/zinc/07/80/93/925078093.db2.gz AARAAIJJFFRHEW-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001236020553 944377850 /nfs/dbraw/zinc/37/78/50/944377850.db2.gz KZAMOLMVVZUMBP-HOCLYGCPSA-N 2 2 273.380 1.056 20 10 CDCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001236020553 944377855 /nfs/dbraw/zinc/37/78/55/944377855.db2.gz KZAMOLMVVZUMBP-HOCLYGCPSA-N 2 2 273.380 1.056 20 10 CDCDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1O ZINC001325720693 954045254 /nfs/dbraw/zinc/04/52/54/954045254.db2.gz GCIMOWXDJSXPOZ-IGYIBNOWSA-N 2 2 254.280 1.539 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000293885069 370841530 /nfs/dbraw/zinc/84/15/30/370841530.db2.gz VPQHRFMSVLOQLZ-GJZGRUSLSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000293885069 370841534 /nfs/dbraw/zinc/84/15/34/370841534.db2.gz VPQHRFMSVLOQLZ-GJZGRUSLSA-N 2 2 291.439 1.905 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667181 334384675 /nfs/dbraw/zinc/38/46/75/334384675.db2.gz GIANITUMOFASPP-KBPBESRZSA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667181 334384676 /nfs/dbraw/zinc/38/46/76/334384676.db2.gz GIANITUMOFASPP-KBPBESRZSA-N 2 2 296.798 1.998 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000756490218 576991978 /nfs/dbraw/zinc/99/19/78/576991978.db2.gz MJUKKJRCWKYFPQ-CYBMUJFWSA-N 2 2 291.395 1.125 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1F ZINC000925530156 617460162 /nfs/dbraw/zinc/46/01/62/617460162.db2.gz OKEVKSHHHBKYCU-NTLKJNNPSA-N 2 2 289.398 1.978 20 10 CDCDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(O)c1OC ZINC000892566821 617508294 /nfs/dbraw/zinc/50/82/94/617508294.db2.gz ODCXCQZMOQTRJJ-NSHDSACASA-N 2 2 291.351 1.784 20 10 CDCDLP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841099276 618682388 /nfs/dbraw/zinc/68/23/88/618682388.db2.gz ODUWSGWPXDGWDX-QGZVFWFLSA-N 2 2 289.423 1.755 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841034350 621042807 /nfs/dbraw/zinc/04/28/07/621042807.db2.gz AADRQULGVQSLGX-INIZCTEOSA-N 3 2 288.439 1.280 20 10 CDCDLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045178 621590115 /nfs/dbraw/zinc/59/01/15/621590115.db2.gz JAVQCRHSFDYDCT-CZUORRHYSA-N 2 2 287.411 1.627 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)CC1 ZINC001204782488 906377783 /nfs/dbraw/zinc/37/77/83/906377783.db2.gz GBKVJXQDYCEAAW-QGZVFWFLSA-N 3 2 288.439 1.362 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)CC1 ZINC001204782488 906377800 /nfs/dbraw/zinc/37/78/00/906377800.db2.gz GBKVJXQDYCEAAW-QGZVFWFLSA-N 3 2 288.439 1.362 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205807391 939939029 /nfs/dbraw/zinc/93/90/29/939939029.db2.gz ZZNNRFKIIXBOKP-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205807391 939939031 /nfs/dbraw/zinc/93/90/31/939939031.db2.gz ZZNNRFKIIXBOKP-DGCLKSJQSA-N 2 2 264.369 1.960 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182630 939993395 /nfs/dbraw/zinc/99/33/95/939993395.db2.gz CKQGAECQPUXIJK-SKDRFNHKSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182630 939993398 /nfs/dbraw/zinc/99/33/98/939993398.db2.gz CKQGAECQPUXIJK-SKDRFNHKSA-N 2 2 274.286 1.932 20 10 CDCDLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)c(O)cc1O ZINC001231635022 942951430 /nfs/dbraw/zinc/95/14/30/942951430.db2.gz UEYSXPLXVQGUJC-UHFFFAOYSA-N 2 2 280.368 1.632 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168206 944419187 /nfs/dbraw/zinc/41/91/87/944419187.db2.gz GODCJHUIROAFGM-AWEZNQCLSA-N 2 2 287.407 1.624 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168206 944419192 /nfs/dbraw/zinc/41/91/92/944419192.db2.gz GODCJHUIROAFGM-AWEZNQCLSA-N 2 2 287.407 1.624 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272539155 263006086 /nfs/dbraw/zinc/00/60/86/263006086.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272539155 263006087 /nfs/dbraw/zinc/00/60/87/263006087.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272539155 263006088 /nfs/dbraw/zinc/00/60/88/263006088.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272539155 263006089 /nfs/dbraw/zinc/00/60/89/263006089.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000252667300 334384660 /nfs/dbraw/zinc/38/46/60/334384660.db2.gz IIECCQHOAXMGTC-KBPBESRZSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000252667300 334384661 /nfs/dbraw/zinc/38/46/61/334384661.db2.gz IIECCQHOAXMGTC-KBPBESRZSA-N 2 2 292.379 1.354 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057545 618691041 /nfs/dbraw/zinc/69/10/41/618691041.db2.gz JOQXPUUAZIXDEN-SWLSCSKDSA-N 2 2 264.369 1.557 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057545 618691044 /nfs/dbraw/zinc/69/10/44/618691044.db2.gz JOQXPUUAZIXDEN-SWLSCSKDSA-N 2 2 264.369 1.557 20 10 CDCDLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000904451657 626300948 /nfs/dbraw/zinc/30/09/48/626300948.db2.gz YULIAEWGVXNIQC-UHFFFAOYSA-N 2 2 271.158 1.736 20 10 CDCDLP COc1cc(Cl)cc(C[NH+]2CCC([NH3+])CC2)c1O ZINC000229102415 688555751 /nfs/dbraw/zinc/55/57/51/688555751.db2.gz YQRCDCUVUUVFCA-UHFFFAOYSA-N 2 2 270.760 1.977 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000817983587 692176098 /nfs/dbraw/zinc/17/60/98/692176098.db2.gz OMOJXNAITSHTFS-JQWIXIFHSA-N 2 2 266.341 1.040 20 10 CDCDLP CCN(CC)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843120340 692454995 /nfs/dbraw/zinc/45/49/95/692454995.db2.gz GHZFTRQPTXCEFJ-QGZVFWFLSA-N 2 2 290.455 1.608 20 10 CDCDLP CCN(CC)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843120340 692455000 /nfs/dbraw/zinc/45/50/00/692455000.db2.gz GHZFTRQPTXCEFJ-QGZVFWFLSA-N 2 2 290.455 1.608 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982048 692652587 /nfs/dbraw/zinc/65/25/87/692652587.db2.gz BFZTVXBQWXZLJL-KOLCDFICSA-N 2 2 270.760 1.685 20 10 CDCDLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940017 693076666 /nfs/dbraw/zinc/07/66/66/693076666.db2.gz DUUHLBDKADPAPU-SUMWQHHRSA-N 2 2 299.422 1.763 20 10 CDCDLP C[NH2+]CC[NH2+]Cc1cc(Br)ccc1O ZINC000841037362 694631166 /nfs/dbraw/zinc/63/11/66/694631166.db2.gz ZWQFRGZYUMWPLL-UHFFFAOYSA-N 2 2 259.147 1.464 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048227 694795377 /nfs/dbraw/zinc/79/53/77/694795377.db2.gz CIURSHGWGOPEJN-VIFPVBQESA-N 2 2 281.312 1.090 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000857226522 723569664 /nfs/dbraw/zinc/56/96/64/723569664.db2.gz QMLAUKBYTOTMEK-LRDDRELGSA-N 2 2 292.379 1.723 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000857226522 723569666 /nfs/dbraw/zinc/56/96/66/723569666.db2.gz QMLAUKBYTOTMEK-LRDDRELGSA-N 2 2 292.379 1.723 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000702652494 922586382 /nfs/dbraw/zinc/58/63/82/922586382.db2.gz LISNYEKQHCAJRX-QMTHXVAHSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000702652494 922586399 /nfs/dbraw/zinc/58/63/99/922586399.db2.gz LISNYEKQHCAJRX-QMTHXVAHSA-N 2 2 268.332 1.249 20 10 CDCDLP Oc1cccc(Br)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000706855341 923099817 /nfs/dbraw/zinc/09/98/17/923099817.db2.gz DQCZZEOOQZIPGN-UWVGGRQHSA-N 2 2 297.196 1.806 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1O ZINC000841765271 937013703 /nfs/dbraw/zinc/01/37/03/937013703.db2.gz WYTLMGVPBKQZRF-KOLCDFICSA-N 2 2 272.776 1.619 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000817944303 930642362 /nfs/dbraw/zinc/64/23/62/930642362.db2.gz ZAZRVSYAPNGRNO-INWMFGNUSA-N 2 2 277.412 1.910 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075540 939975560 /nfs/dbraw/zinc/97/55/60/939975560.db2.gz RAGPVCHEWWEARH-ZWNOBZJWSA-N 2 2 250.342 1.488 20 10 CDCDLP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075540 939975561 /nfs/dbraw/zinc/97/55/61/939975561.db2.gz RAGPVCHEWWEARH-ZWNOBZJWSA-N 2 2 250.342 1.488 20 10 CDCDLP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992619 944359153 /nfs/dbraw/zinc/35/91/53/944359153.db2.gz PUWFLDISQQYLBQ-DOMZBBRYSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992619 944359163 /nfs/dbraw/zinc/35/91/63/944359163.db2.gz PUWFLDISQQYLBQ-DOMZBBRYSA-N 2 2 262.353 1.714 20 10 CDCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001331835571 957290275 /nfs/dbraw/zinc/29/02/75/957290275.db2.gz RIBGSHBEUZESPV-AGIUHOORSA-N 2 2 276.380 1.827 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000068801814 524071910 /nfs/dbraw/zinc/07/19/10/524071910.db2.gz OOZNREODAGRRSX-OAHLLOKOSA-N 2 2 277.412 1.339 20 10 CDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000068801814 524071911 /nfs/dbraw/zinc/07/19/11/524071911.db2.gz OOZNREODAGRRSX-OAHLLOKOSA-N 2 2 277.412 1.339 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742375017 576598514 /nfs/dbraw/zinc/59/85/14/576598514.db2.gz KUHPGLPMUBVXQN-NWDGAFQWSA-N 2 2 264.369 1.973 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742375017 576598516 /nfs/dbraw/zinc/59/85/16/576598516.db2.gz KUHPGLPMUBVXQN-NWDGAFQWSA-N 2 2 264.369 1.973 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000050158750 695339424 /nfs/dbraw/zinc/33/94/24/695339424.db2.gz REHWSJKQGDDECH-UHFFFAOYSA-N 2 2 280.343 1.918 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+](C)C2CC[NH2+]CC2)c1O ZINC000050158750 695339429 /nfs/dbraw/zinc/33/94/29/695339429.db2.gz REHWSJKQGDDECH-UHFFFAOYSA-N 2 2 280.343 1.918 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(O)CC2)cc1 ZINC000817941489 695472486 /nfs/dbraw/zinc/47/24/86/695472486.db2.gz JZRHWEDFISQYDF-AVVWSFFYSA-N 2 2 277.412 1.646 20 10 CDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843051453 695720224 /nfs/dbraw/zinc/72/02/24/695720224.db2.gz IFBDUTFEGHIPGP-LBPRGKRZSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843051453 695720225 /nfs/dbraw/zinc/72/02/25/695720225.db2.gz IFBDUTFEGHIPGP-LBPRGKRZSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1O ZINC000854232360 695876812 /nfs/dbraw/zinc/87/68/12/695876812.db2.gz NIOZISNQGWKXAO-MRVPVSSYSA-N 2 2 292.314 1.336 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Br)ccc1O ZINC000389604250 695907367 /nfs/dbraw/zinc/90/73/67/695907367.db2.gz XAKRLHCFBKCNEX-QMMMGPOBSA-N 2 2 273.174 1.934 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000389604250 695907377 /nfs/dbraw/zinc/90/73/77/695907377.db2.gz XAKRLHCFBKCNEX-QMMMGPOBSA-N 2 2 273.174 1.934 20 10 CDCDLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939339 724720996 /nfs/dbraw/zinc/72/09/96/724720996.db2.gz BBWLIELJNBHSMN-JMSVASOKSA-N 2 2 265.401 1.765 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229926 724747254 /nfs/dbraw/zinc/74/72/54/724747254.db2.gz IYHONMDRUUPOFN-UONOGXRCSA-N 2 2 250.317 1.906 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981039 725149305 /nfs/dbraw/zinc/14/93/05/725149305.db2.gz XTQKXNWQHHJULL-CXAGYDPISA-N 2 2 291.439 1.858 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981039 725149307 /nfs/dbraw/zinc/14/93/07/725149307.db2.gz XTQKXNWQHHJULL-CXAGYDPISA-N 2 2 291.439 1.858 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140060517 936675530 /nfs/dbraw/zinc/67/55/30/936675530.db2.gz ZTXNVXKTOZNDDI-IUODEOHRSA-N 2 2 264.344 1.915 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140060517 936675532 /nfs/dbraw/zinc/67/55/32/936675532.db2.gz ZTXNVXKTOZNDDI-IUODEOHRSA-N 2 2 264.344 1.915 20 10 CDCDLP Oc1cc(O)c(C[NH+]2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001144520573 931871994 /nfs/dbraw/zinc/87/19/94/931871994.db2.gz VHEYALYYCZZBQB-UHFFFAOYSA-N 2 2 278.352 1.474 20 10 CDCDLP CC1(C[NH3+])C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206717927 939637240 /nfs/dbraw/zinc/63/72/40/939637240.db2.gz HKEMQOBUHMGZNC-UHFFFAOYSA-N 2 2 275.396 1.304 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165496 944076218 /nfs/dbraw/zinc/07/62/18/944076218.db2.gz JQOWHOYZTKTWAH-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165496 944076222 /nfs/dbraw/zinc/07/62/22/944076222.db2.gz JQOWHOYZTKTWAH-SWLSCSKDSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994167 944360626 /nfs/dbraw/zinc/36/06/26/944360626.db2.gz SLSJGDGCMQJMHT-ABAIWWIYSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994167 944360640 /nfs/dbraw/zinc/36/06/40/944360640.db2.gz SLSJGDGCMQJMHT-ABAIWWIYSA-N 2 2 278.352 1.333 20 10 CDCDLP CN1CCOc2cc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998725 944367158 /nfs/dbraw/zinc/36/71/58/944367158.db2.gz ZDUSNTWVPUDBAK-BBRMVZONSA-N 2 2 273.380 1.438 20 10 CDCDLP CN1CCOc2cc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998725 944367163 /nfs/dbraw/zinc/36/71/63/944367163.db2.gz ZDUSNTWVPUDBAK-BBRMVZONSA-N 2 2 273.380 1.438 20 10 CDCDLP Cc1ccc(O)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000827891284 726200490 /nfs/dbraw/zinc/20/04/90/726200490.db2.gz GGBJNYKJTFKDNZ-UHFFFAOYSA-N 2 2 286.379 1.756 20 10 CDCDLP COc1c(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000841052011 726933574 /nfs/dbraw/zinc/93/35/74/726933574.db2.gz YCHDHKFHQRXAJN-JTQLQIEISA-N 2 2 281.312 1.136 20 10 CDCDLP COc1c(O)c(C[NH+]2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843108361 727089667 /nfs/dbraw/zinc/08/96/67/727089667.db2.gz SFTSCGRWCCQPGS-UHFFFAOYSA-N 2 2 295.339 1.622 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228365308 727114273 /nfs/dbraw/zinc/11/42/73/727114273.db2.gz DHMACDULHZNZAU-SMDDNHRTSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228365308 727114280 /nfs/dbraw/zinc/11/42/80/727114280.db2.gz DHMACDULHZNZAU-SMDDNHRTSA-N 2 2 250.342 1.249 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362683 727873596 /nfs/dbraw/zinc/87/35/96/727873596.db2.gz NPFXUSHNUFQARO-GXSJLCMTSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362683 727873598 /nfs/dbraw/zinc/87/35/98/727873598.db2.gz NPFXUSHNUFQARO-GXSJLCMTSA-N 2 2 280.343 1.903 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000779191383 728084598 /nfs/dbraw/zinc/08/45/98/728084598.db2.gz HTGWUWSPNMSIGJ-GFCCVEGCSA-N 2 2 273.336 1.702 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000717368894 728359800 /nfs/dbraw/zinc/35/98/00/728359800.db2.gz ULRXMHIKVKZHEE-ONGXEEELSA-N 2 2 256.321 1.104 20 10 CDCDLP C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1C[NH3+] ZINC001205140553 914067818 /nfs/dbraw/zinc/06/78/18/914067818.db2.gz NIKUQFGOKGOOCO-DTWKUNHWSA-N 2 2 256.296 1.697 20 10 CDCDLP C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1C[NH3+] ZINC001205140553 914067835 /nfs/dbraw/zinc/06/78/35/914067835.db2.gz NIKUQFGOKGOOCO-DTWKUNHWSA-N 2 2 256.296 1.697 20 10 CDCDLP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205064785 911874596 /nfs/dbraw/zinc/87/45/96/911874596.db2.gz VJLGBUUBPRDZIF-JQWIXIFHSA-N 2 2 250.342 1.712 20 10 CDCDLP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205064785 911874609 /nfs/dbraw/zinc/87/46/09/911874609.db2.gz VJLGBUUBPRDZIF-JQWIXIFHSA-N 2 2 250.342 1.712 20 10 CDCDLP C[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1O ZINC000841059544 925291718 /nfs/dbraw/zinc/29/17/18/925291718.db2.gz FMYCKDJBKNPXRL-SSDOTTSWSA-N 2 2 259.147 1.592 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001205075811 939820597 /nfs/dbraw/zinc/82/05/97/939820597.db2.gz OGKHUASHQVTXMZ-IUCAKERBSA-N 2 2 252.314 1.115 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c(O)cc(O)cc1O ZINC001205075811 939820601 /nfs/dbraw/zinc/82/06/01/939820601.db2.gz OGKHUASHQVTXMZ-IUCAKERBSA-N 2 2 252.314 1.115 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205829763 939942302 /nfs/dbraw/zinc/94/23/02/939942302.db2.gz PQHSYHSAYNKEMV-NWDGAFQWSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205829763 939942304 /nfs/dbraw/zinc/94/23/04/939942304.db2.gz PQHSYHSAYNKEMV-NWDGAFQWSA-N 2 2 294.395 1.969 20 10 CDCDLP C[NH+](C)CCC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482274 943591027 /nfs/dbraw/zinc/59/10/27/943591027.db2.gz HQQQKOCYZVFBBY-UHFFFAOYSA-N 2 2 254.330 1.187 20 10 CDCDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482274 943591030 /nfs/dbraw/zinc/59/10/30/943591030.db2.gz HQQQKOCYZVFBBY-UHFFFAOYSA-N 2 2 254.330 1.187 20 10 CDCDLP Cc1c(O)ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236118764 944408116 /nfs/dbraw/zinc/40/81/16/944408116.db2.gz AHIPEVWDIZSQFV-LBPRGKRZSA-N 2 2 250.342 1.590 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236118764 944408118 /nfs/dbraw/zinc/40/81/18/944408118.db2.gz AHIPEVWDIZSQFV-LBPRGKRZSA-N 2 2 250.342 1.590 20 10 CDCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297704451 277101759 /nfs/dbraw/zinc/10/17/59/277101759.db2.gz MNNHOLIODUWJDY-UONOGXRCSA-N 2 2 275.396 1.215 20 10 CDCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297704451 277101760 /nfs/dbraw/zinc/10/17/60/277101760.db2.gz MNNHOLIODUWJDY-UONOGXRCSA-N 2 2 275.396 1.215 20 10 CDCDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204925429 1160989643 /nfs/dbraw/zinc/98/96/43/1160989643.db2.gz SLESRBKDIWSCJJ-KRWDZBQOSA-N 3 2 288.439 1.409 20 10 CDCDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204925429 1160989648 /nfs/dbraw/zinc/98/96/48/1160989648.db2.gz SLESRBKDIWSCJJ-KRWDZBQOSA-N 3 2 288.439 1.409 20 10 CDCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000221163946 1166541889 /nfs/dbraw/zinc/54/18/89/1166541889.db2.gz RCQBDHDICQPFDE-QGZVFWFLSA-N 2 2 289.423 1.707 20 10 CDCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000221163946 1166541890 /nfs/dbraw/zinc/54/18/90/1166541890.db2.gz RCQBDHDICQPFDE-QGZVFWFLSA-N 2 2 289.423 1.707 20 10 CDCDLP CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000841077509 728455988 /nfs/dbraw/zinc/45/59/88/728455988.db2.gz AZDXKIWHFQIZBT-RYUDHWBXSA-N 2 2 268.332 1.581 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1F ZINC000841037074 729265140 /nfs/dbraw/zinc/26/51/40/729265140.db2.gz YHKCUIMVGXBEOJ-LBPRGKRZSA-N 2 2 251.349 1.733 20 10 CDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841058508 729961919 /nfs/dbraw/zinc/96/19/19/729961919.db2.gz IEIPKBILJFJUOG-SMDDNHRTSA-N 2 2 265.376 1.979 20 10 CDCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236905100 917075869 /nfs/dbraw/zinc/07/58/69/917075869.db2.gz XZZYUXBQGMRPCD-LBPRGKRZSA-N 2 2 297.830 1.956 20 10 CDCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236905100 917075880 /nfs/dbraw/zinc/07/58/80/917075880.db2.gz XZZYUXBQGMRPCD-LBPRGKRZSA-N 2 2 297.830 1.956 20 10 CDCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131438 936476838 /nfs/dbraw/zinc/47/68/38/936476838.db2.gz ZRNKNOPXJDHNAT-STQMWFEESA-N 2 2 264.344 1.915 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141161950 936823249 /nfs/dbraw/zinc/82/32/49/936823249.db2.gz HVNNNCKMQGDFDK-IUODEOHRSA-N 2 2 262.353 1.481 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141161950 936823251 /nfs/dbraw/zinc/82/32/51/936823251.db2.gz HVNNNCKMQGDFDK-IUODEOHRSA-N 2 2 262.353 1.481 20 10 CDCDLP Cc1cc(Br)c(O)c(C[NH2+][C@H](C)C[NH3+])c1 ZINC000841060643 936973779 /nfs/dbraw/zinc/97/37/79/936973779.db2.gz OQJJOILSLBFGFG-MRVPVSSYSA-N 2 2 273.174 1.900 20 10 CDCDLP C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052199 937107816 /nfs/dbraw/zinc/10/78/16/937107816.db2.gz PCFGBJYNQUGFJY-PWSUYJOCSA-N 2 2 278.352 1.680 20 10 CDCDLP C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052199 937107819 /nfs/dbraw/zinc/10/78/19/937107819.db2.gz PCFGBJYNQUGFJY-PWSUYJOCSA-N 2 2 278.352 1.680 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982330 930659176 /nfs/dbraw/zinc/65/91/76/930659176.db2.gz CFRUJTMRIBTRSQ-HZPDHXFCSA-N 2 2 277.412 1.782 20 10 CDCDLP COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1O ZINC000846147056 931987122 /nfs/dbraw/zinc/98/71/22/931987122.db2.gz VFUMGHUEJAHAGE-CHWSQXEVSA-N 2 2 294.395 1.508 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001205082925 939821071 /nfs/dbraw/zinc/82/10/71/939821071.db2.gz KTFRKTGWXPZIDA-WPRPVWTQSA-N 2 2 252.314 1.115 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc(O)c(O)cc1O ZINC001205082925 939821073 /nfs/dbraw/zinc/82/10/73/939821073.db2.gz KTFRKTGWXPZIDA-WPRPVWTQSA-N 2 2 252.314 1.115 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205082711 939821359 /nfs/dbraw/zinc/82/13/59/939821359.db2.gz IMERILPUVQKVMQ-JQWIXIFHSA-N 2 2 280.368 1.721 20 10 CDCDLP COc1cc(O)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205082711 939821361 /nfs/dbraw/zinc/82/13/61/939821361.db2.gz IMERILPUVQKVMQ-JQWIXIFHSA-N 2 2 280.368 1.721 20 10 CDCDLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001205229714 939839903 /nfs/dbraw/zinc/83/99/03/939839903.db2.gz OKIWRWYCZCUHSI-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001205229714 939839904 /nfs/dbraw/zinc/83/99/04/939839904.db2.gz OKIWRWYCZCUHSI-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP C[NH+](C)CCN1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332118 943546668 /nfs/dbraw/zinc/54/66/68/943546668.db2.gz ZHZIVABMSUCWNB-UHFFFAOYSA-N 2 2 299.365 1.350 20 10 CDCDLP CN1CCOc2cc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998727 944366009 /nfs/dbraw/zinc/36/60/09/944366009.db2.gz ZDUSNTWVPUDBAK-CZUORRHYSA-N 2 2 273.380 1.438 20 10 CDCDLP CN1CCOc2cc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998727 944366018 /nfs/dbraw/zinc/36/60/18/944366018.db2.gz ZDUSNTWVPUDBAK-CZUORRHYSA-N 2 2 273.380 1.438 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000273378287 292014143 /nfs/dbraw/zinc/01/41/43/292014143.db2.gz HRPUQLLCJXQRFP-LLVKDONJSA-N 2 2 280.368 1.781 20 10 CDCDLP c1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc2c1OCC2 ZINC000925560960 731259892 /nfs/dbraw/zinc/25/98/92/731259892.db2.gz XRUXKLSPRJEWGM-WLRQEKSISA-N 2 2 270.376 1.708 20 10 CDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133463037 731587273 /nfs/dbraw/zinc/58/72/73/731587273.db2.gz CWVRVQKUUCOCOW-ZFWWWQNUSA-N 2 2 277.412 1.609 20 10 CDCDLP COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000846225360 731927325 /nfs/dbraw/zinc/92/73/25/731927325.db2.gz NFZXQLQVPYWZCU-GFCCVEGCSA-N 2 2 251.374 1.410 20 10 CDCDLP COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000846225360 731927332 /nfs/dbraw/zinc/92/73/32/731927332.db2.gz NFZXQLQVPYWZCU-GFCCVEGCSA-N 2 2 251.374 1.410 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000817894699 732033191 /nfs/dbraw/zinc/03/31/91/732033191.db2.gz PZDYOFWXVMGWPG-GOEBONIOSA-N 2 2 291.439 1.918 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001236174581 914736635 /nfs/dbraw/zinc/73/66/35/914736635.db2.gz XAGFGRAXEMIVSS-JTQLQIEISA-N 2 2 260.259 1.944 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001236174581 914736646 /nfs/dbraw/zinc/73/66/46/914736646.db2.gz XAGFGRAXEMIVSS-JTQLQIEISA-N 2 2 260.259 1.944 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001205681124 939916315 /nfs/dbraw/zinc/91/63/15/939916315.db2.gz FOJOKBPIUUZNTL-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001205681124 939916317 /nfs/dbraw/zinc/91/63/17/939916317.db2.gz FOJOKBPIUUZNTL-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205827959 939941392 /nfs/dbraw/zinc/94/13/92/939941392.db2.gz IIGYWEAZBJYJCT-JQWIXIFHSA-N 2 2 280.368 1.666 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205827959 939941395 /nfs/dbraw/zinc/94/13/95/939941395.db2.gz IIGYWEAZBJYJCT-JQWIXIFHSA-N 2 2 280.368 1.666 20 10 CDCDLP Cc1ccc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502463 941604460 /nfs/dbraw/zinc/60/44/60/941604460.db2.gz KSHXVSSUIVGFKF-GJZGRUSLSA-N 2 2 275.396 1.226 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236246013 944436637 /nfs/dbraw/zinc/43/66/37/944436637.db2.gz UARCUPJXYFTBLW-MRXNPFEDSA-N 3 2 274.412 1.019 20 10 CDCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236246013 944436640 /nfs/dbraw/zinc/43/66/40/944436640.db2.gz UARCUPJXYFTBLW-MRXNPFEDSA-N 3 2 274.412 1.019 20 10 CDCDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Cl)ccc2O)CC1 ZINC000155507860 617533933 /nfs/dbraw/zinc/53/39/33/617533933.db2.gz QLNRSRNJGDXLHY-UHFFFAOYSA-N 2 2 298.814 1.934 20 10 CDCDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Cl)ccc2O)CC1 ZINC000155507860 617533936 /nfs/dbraw/zinc/53/39/36/617533936.db2.gz QLNRSRNJGDXLHY-UHFFFAOYSA-N 2 2 298.814 1.934 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000841079073 735419619 /nfs/dbraw/zinc/41/96/19/735419619.db2.gz KGGRVOWZBABXKC-STQMWFEESA-N 2 2 252.333 1.799 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000817982525 735934459 /nfs/dbraw/zinc/93/44/59/735934459.db2.gz DUHKMIMRXAONCC-CHWSQXEVSA-N 2 2 264.369 1.648 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000133064414 733856129 /nfs/dbraw/zinc/85/61/29/733856129.db2.gz DQARJXUDBGXNCF-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000133064414 733856132 /nfs/dbraw/zinc/85/61/32/733856132.db2.gz DQARJXUDBGXNCF-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000841028210 735578015 /nfs/dbraw/zinc/57/80/15/735578015.db2.gz LXKGEZMNTZTGRI-NSHDSACASA-N 2 2 285.185 1.982 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185176 912127613 /nfs/dbraw/zinc/12/76/13/912127613.db2.gz LIFIPTVDHPICOX-NXEZZACHSA-N 2 2 270.304 1.065 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185176 912127622 /nfs/dbraw/zinc/12/76/22/912127622.db2.gz LIFIPTVDHPICOX-NXEZZACHSA-N 2 2 270.304 1.065 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000817941777 930638636 /nfs/dbraw/zinc/63/86/36/930638636.db2.gz RMXOIAOOZCIGCP-GHMZBOCLSA-N 2 2 250.342 1.803 20 10 CDCDLP C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@H]1C[NH3+] ZINC001205150641 939829260 /nfs/dbraw/zinc/82/92/60/939829260.db2.gz GNGKOZARMYQKMI-DTWKUNHWSA-N 2 2 256.296 1.697 20 10 CDCDLP C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@H]1C[NH3+] ZINC001205150641 939829262 /nfs/dbraw/zinc/82/92/62/939829262.db2.gz GNGKOZARMYQKMI-DTWKUNHWSA-N 2 2 256.296 1.697 20 10 CDCDLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001205240682 939841511 /nfs/dbraw/zinc/84/15/11/939841511.db2.gz MTZGQBHVJIMWQF-CQSZACIVSA-N 2 2 284.787 1.721 20 10 CDCDLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001205240682 939841514 /nfs/dbraw/zinc/84/15/14/939841514.db2.gz MTZGQBHVJIMWQF-CQSZACIVSA-N 2 2 284.787 1.721 20 10 CDCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001205762829 939933439 /nfs/dbraw/zinc/93/34/39/939933439.db2.gz NPRGTYJGLGIFHY-VIFPVBQESA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001205762829 939933441 /nfs/dbraw/zinc/93/34/41/939933441.db2.gz NPRGTYJGLGIFHY-VIFPVBQESA-N 2 2 274.286 1.947 20 10 CDCDLP COc1ccc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001256201617 948233275 /nfs/dbraw/zinc/23/32/75/948233275.db2.gz IWRBCQULRGYJTM-UHFFFAOYSA-N 2 2 289.423 1.911 20 10 CDCDLP C[NH2+]CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326075698 954205899 /nfs/dbraw/zinc/20/58/99/954205899.db2.gz KXRNVGURRYETQV-UHFFFAOYSA-N 3 2 294.418 1.277 20 10 CDCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253998 365154978 /nfs/dbraw/zinc/15/49/78/365154978.db2.gz MBZOTFRTAGPLJN-WCQYABFASA-N 2 2 290.363 1.647 20 10 CDCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253998 365154983 /nfs/dbraw/zinc/15/49/83/365154983.db2.gz MBZOTFRTAGPLJN-WCQYABFASA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253998 365154988 /nfs/dbraw/zinc/15/49/88/365154988.db2.gz MBZOTFRTAGPLJN-WCQYABFASA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253998 365154992 /nfs/dbraw/zinc/15/49/92/365154992.db2.gz MBZOTFRTAGPLJN-WCQYABFASA-N 2 2 290.363 1.647 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000293885062 370841639 /nfs/dbraw/zinc/84/16/39/370841639.db2.gz VPQHRFMSVLOQLZ-CABCVRRESA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000293885062 370841642 /nfs/dbraw/zinc/84/16/42/370841642.db2.gz VPQHRFMSVLOQLZ-CABCVRRESA-N 2 2 291.439 1.905 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000227440219 392018829 /nfs/dbraw/zinc/01/88/29/392018829.db2.gz YBRZBYILDSSLGP-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000227440219 392018836 /nfs/dbraw/zinc/01/88/36/392018836.db2.gz YBRZBYILDSSLGP-GFCCVEGCSA-N 2 2 250.342 1.585 20 10 CDCDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297704454 392442307 /nfs/dbraw/zinc/44/23/07/392442307.db2.gz MNNHOLIODUWJDY-ZIAGYGMSSA-N 2 2 275.396 1.215 20 10 CDCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297704454 392442312 /nfs/dbraw/zinc/44/23/12/392442312.db2.gz MNNHOLIODUWJDY-ZIAGYGMSSA-N 2 2 275.396 1.215 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccncc2)cc1 ZINC000841043689 618677626 /nfs/dbraw/zinc/67/76/26/618677626.db2.gz QCJJRUKVRMUEFQ-INIZCTEOSA-N 2 2 270.380 1.937 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000843054640 736458573 /nfs/dbraw/zinc/45/85/73/736458573.db2.gz YLNJTMOIZTZAIF-QGZVFWFLSA-N 3 2 288.439 1.362 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000843054640 736458574 /nfs/dbraw/zinc/45/85/74/736458574.db2.gz YLNJTMOIZTZAIF-QGZVFWFLSA-N 3 2 288.439 1.362 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026553 738806149 /nfs/dbraw/zinc/80/61/49/738806149.db2.gz IGMFNFVJINPOFA-CJNGLKHVSA-N 2 2 259.397 1.855 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026553 738806150 /nfs/dbraw/zinc/80/61/50/738806150.db2.gz IGMFNFVJINPOFA-CJNGLKHVSA-N 2 2 259.397 1.855 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000817953990 738926698 /nfs/dbraw/zinc/92/66/98/738926698.db2.gz UOPOXQFFYDMWLN-JTQLQIEISA-N 2 2 250.342 1.803 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802132 925079833 /nfs/dbraw/zinc/07/98/33/925079833.db2.gz AARAAIJJFFRHEW-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802132 925079844 /nfs/dbraw/zinc/07/98/44/925079844.db2.gz AARAAIJJFFRHEW-YPMHNXCESA-N 2 2 264.369 1.960 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841033196 936972102 /nfs/dbraw/zinc/97/21/02/936972102.db2.gz PBJVCIDZBBLTJK-INIZCTEOSA-N 2 2 289.423 1.755 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855039 925574459 /nfs/dbraw/zinc/57/44/59/925574459.db2.gz LJSAKJKVTAQERW-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855039 925574465 /nfs/dbraw/zinc/57/44/65/925574465.db2.gz LJSAKJKVTAQERW-WCQYABFASA-N 2 2 294.395 1.969 20 10 CDCDLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843048221 937107080 /nfs/dbraw/zinc/10/70/80/937107080.db2.gz BTNVMQPWFBXMQS-MRVPVSSYSA-N 2 2 258.724 1.965 20 10 CDCDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843048221 937107081 /nfs/dbraw/zinc/10/70/81/937107081.db2.gz BTNVMQPWFBXMQS-MRVPVSSYSA-N 2 2 258.724 1.965 20 10 CDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516423 931881042 /nfs/dbraw/zinc/88/10/42/931881042.db2.gz YDHLDOKYXMEHFH-GXFFZTMASA-N 2 2 278.352 1.329 20 10 CDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516423 931881050 /nfs/dbraw/zinc/88/10/50/931881050.db2.gz YDHLDOKYXMEHFH-GXFFZTMASA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516423 931881060 /nfs/dbraw/zinc/88/10/60/931881060.db2.gz YDHLDOKYXMEHFH-GXFFZTMASA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516423 931881066 /nfs/dbraw/zinc/88/10/66/931881066.db2.gz YDHLDOKYXMEHFH-GXFFZTMASA-N 2 2 278.352 1.329 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001205681126 939917817 /nfs/dbraw/zinc/91/78/17/939917817.db2.gz FOJOKBPIUUZNTL-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001205681126 939917821 /nfs/dbraw/zinc/91/78/21/939917821.db2.gz FOJOKBPIUUZNTL-CQSZACIVSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206372240 940028302 /nfs/dbraw/zinc/02/83/02/940028302.db2.gz ZBGWHMKAIWGUAR-AWEZNQCLSA-N 2 2 284.331 1.456 20 10 CDCDLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206372240 940028306 /nfs/dbraw/zinc/02/83/06/940028306.db2.gz ZBGWHMKAIWGUAR-AWEZNQCLSA-N 2 2 284.331 1.456 20 10 CDCDLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899888 944312926 /nfs/dbraw/zinc/31/29/26/944312926.db2.gz BAPCVBFIXFFOGX-GOEBONIOSA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235899888 944312934 /nfs/dbraw/zinc/31/29/34/944312934.db2.gz BAPCVBFIXFFOGX-GOEBONIOSA-N 3 2 288.439 1.408 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000273438421 365497234 /nfs/dbraw/zinc/49/72/34/365497234.db2.gz XQEACAPNBPLGSH-NSHDSACASA-N 2 2 289.335 1.726 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(O)c1OC ZINC000892720824 617648752 /nfs/dbraw/zinc/64/87/52/617648752.db2.gz GIYDOBONQHCRLR-GFCCVEGCSA-N 2 2 280.368 1.593 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(O)c1OC ZINC000892720824 617648760 /nfs/dbraw/zinc/64/87/60/617648760.db2.gz GIYDOBONQHCRLR-GFCCVEGCSA-N 2 2 280.368 1.593 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OCC)c1O ZINC000841065969 621659019 /nfs/dbraw/zinc/65/90/19/621659019.db2.gz OYCVGHZKIMPXHG-LLVKDONJSA-N 2 2 252.358 1.879 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1F ZINC000841098022 630550316 /nfs/dbraw/zinc/55/03/16/630550316.db2.gz ABGWGTWNPNVRKP-CQSZACIVSA-N 2 2 295.402 1.750 20 10 CDCDLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939165 739358672 /nfs/dbraw/zinc/35/86/72/739358672.db2.gz AAMYSYNEGQORCW-XJKSGUPXSA-N 3 2 278.444 1.860 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062298 740847266 /nfs/dbraw/zinc/84/72/66/740847266.db2.gz IUCMPKHLNYWOGL-MWLCHTKSSA-N 2 2 295.339 1.539 20 10 CDCDLP COc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000305194241 741994191 /nfs/dbraw/zinc/99/41/91/741994191.db2.gz KSFXUIPVBQTLPC-UHFFFAOYSA-N 2 2 294.395 1.289 20 10 CDCDLP COc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000305194241 741994193 /nfs/dbraw/zinc/99/41/93/741994193.db2.gz KSFXUIPVBQTLPC-UHFFFAOYSA-N 2 2 294.395 1.289 20 10 CDCDLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851270 936708998 /nfs/dbraw/zinc/70/89/98/936708998.db2.gz WBTGTMCZIWTVGK-GJZGRUSLSA-N 2 2 290.407 1.816 20 10 CDCDLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851270 936709000 /nfs/dbraw/zinc/70/90/00/936709000.db2.gz WBTGTMCZIWTVGK-GJZGRUSLSA-N 2 2 290.407 1.816 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000817941779 930638175 /nfs/dbraw/zinc/63/81/75/930638175.db2.gz RMXOIAOOZCIGCP-QWRGUYRKSA-N 2 2 250.342 1.803 20 10 CDCDLP Cc1cc(F)cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222510618 941606767 /nfs/dbraw/zinc/60/67/67/941606767.db2.gz AZMVDPFXGVTUQO-GJZGRUSLSA-N 2 2 293.386 1.366 20 10 CDCDLP Cc1cc(F)cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222510618 941606769 /nfs/dbraw/zinc/60/67/69/941606769.db2.gz AZMVDPFXGVTUQO-GJZGRUSLSA-N 2 2 293.386 1.366 20 10 CDCDLP CN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001255422555 947868534 /nfs/dbraw/zinc/86/85/34/947868534.db2.gz ZGCIXBGIKBIUGN-INIZCTEOSA-N 2 2 289.423 1.650 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000112839330 366159178 /nfs/dbraw/zinc/15/91/78/366159178.db2.gz IIECCQHOAXMGTC-KGLIPLIRSA-N 2 2 292.379 1.354 20 10 CDCDLP COc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000112839330 366159181 /nfs/dbraw/zinc/15/91/81/366159181.db2.gz IIECCQHOAXMGTC-KGLIPLIRSA-N 2 2 292.379 1.354 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405886 365492279 /nfs/dbraw/zinc/49/22/79/365492279.db2.gz OJWPFFJYTBWPHU-AAEUAGOBSA-N 2 2 282.359 1.639 20 10 CDCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000278553327 522185109 /nfs/dbraw/zinc/18/51/09/522185109.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 2 2 277.387 1.885 20 10 CDCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000278553327 522185116 /nfs/dbraw/zinc/18/51/16/522185116.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 2 2 277.387 1.885 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1F ZINC000278553327 522185122 /nfs/dbraw/zinc/18/51/22/522185122.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 2 2 277.387 1.885 20 10 CDCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1F ZINC000278553327 522185124 /nfs/dbraw/zinc/18/51/24/522185124.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 2 2 277.387 1.885 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000068800935 525361500 /nfs/dbraw/zinc/36/15/00/525361500.db2.gz ROCNVGCTTHTGLE-KGLIPLIRSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800935 525361507 /nfs/dbraw/zinc/36/15/07/525361507.db2.gz ROCNVGCTTHTGLE-KGLIPLIRSA-N 2 2 277.412 1.597 20 10 CDCDLP Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044355 618678786 /nfs/dbraw/zinc/67/87/86/618678786.db2.gz CZPAOGPVEQPTCH-UHFFFAOYSA-N 2 2 287.766 1.180 20 10 CDCDLP COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841077590 742888515 /nfs/dbraw/zinc/88/85/15/742888515.db2.gz CCBYLAPVRSILAA-QWRGUYRKSA-N 2 2 254.305 1.190 20 10 CDCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841085375 745599500 /nfs/dbraw/zinc/59/95/00/745599500.db2.gz AUGISJTYBGFJFM-CYBMUJFWSA-N 2 2 264.325 1.351 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364497 745631607 /nfs/dbraw/zinc/63/16/07/745631607.db2.gz KNZFKTGZVKDVHZ-MWLCHTKSSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364497 745631613 /nfs/dbraw/zinc/63/16/13/745631613.db2.gz KNZFKTGZVKDVHZ-MWLCHTKSSA-N 2 2 280.343 1.903 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817939562 745902847 /nfs/dbraw/zinc/90/28/47/745902847.db2.gz COVDUSDHLBEFNM-BJJXKVORSA-N 2 2 277.412 1.767 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000050250418 746563248 /nfs/dbraw/zinc/56/32/48/746563248.db2.gz NQGYEHXLHVPXTN-JTQLQIEISA-N 2 2 266.316 1.515 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000050250418 746563230 /nfs/dbraw/zinc/56/32/30/746563230.db2.gz NQGYEHXLHVPXTN-JTQLQIEISA-N 2 2 266.316 1.515 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226523 746769729 /nfs/dbraw/zinc/76/97/29/746769729.db2.gz QMLAUKBYTOTMEK-MLGOLLRUSA-N 2 2 292.379 1.723 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226523 746769742 /nfs/dbraw/zinc/76/97/42/746769742.db2.gz QMLAUKBYTOTMEK-MLGOLLRUSA-N 2 2 292.379 1.723 20 10 CDCDLP COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349529 747851462 /nfs/dbraw/zinc/85/14/62/747851462.db2.gz CCJCSCGVXLPBOG-ZIAGYGMSSA-N 2 2 275.396 1.616 20 10 CDCDLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205287969 918829911 /nfs/dbraw/zinc/82/99/11/918829911.db2.gz FHXSOJMWFVXYPT-AWEZNQCLSA-N 2 2 266.341 1.507 20 10 CDCDLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205287969 918829916 /nfs/dbraw/zinc/82/99/16/918829916.db2.gz FHXSOJMWFVXYPT-AWEZNQCLSA-N 2 2 266.341 1.507 20 10 CDCDLP COc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)cc1O ZINC001206361066 940026438 /nfs/dbraw/zinc/02/64/38/940026438.db2.gz FITZHVADXOGGBS-HNNXBMFYSA-N 2 2 298.358 1.759 20 10 CDCDLP COc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)cc1O ZINC001206361066 940026440 /nfs/dbraw/zinc/02/64/40/940026440.db2.gz FITZHVADXOGGBS-HNNXBMFYSA-N 2 2 298.358 1.759 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001236868490 944595979 /nfs/dbraw/zinc/59/59/79/944595979.db2.gz DYDSHFWJMVEXGC-VIFPVBQESA-N 2 2 258.749 1.920 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001236868490 944595994 /nfs/dbraw/zinc/59/59/94/944595994.db2.gz DYDSHFWJMVEXGC-VIFPVBQESA-N 2 2 258.749 1.920 20 10 CDCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841098887 630569138 /nfs/dbraw/zinc/56/91/38/630569138.db2.gz JXSDAWCPIXPLFR-NSHDSACASA-N 2 2 256.733 1.124 20 10 CDCDLP OC1CCN(c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)CC1 ZINC001204667594 1159780698 /nfs/dbraw/zinc/78/06/98/1159780698.db2.gz NKFDJPQAXKBRFC-UHFFFAOYSA-N 2 2 289.423 1.443 20 10 CDCDLP OC1CCN(c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)CC1 ZINC001204667594 1159780704 /nfs/dbraw/zinc/78/07/04/1159780704.db2.gz NKFDJPQAXKBRFC-UHFFFAOYSA-N 2 2 289.423 1.443 20 10 CDCDLP CC(C)(C[NH3+])[NH2+]Cc1c(O)cccc1Br ZINC001575318364 1171150094 /nfs/dbraw/zinc/15/00/94/1171150094.db2.gz SFSKBAMSIHZCCC-UHFFFAOYSA-N 2 2 273.174 1.982 20 10 CDCDLP COc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1O ZINC001579144335 1172105574 /nfs/dbraw/zinc/10/55/74/1172105574.db2.gz DSSUOTYIROQKJU-AGIUHOORSA-N 2 2 262.353 1.692 20 10 CDCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817983743 751819000 /nfs/dbraw/zinc/81/90/00/751819000.db2.gz PIYGZHZGBWMDRA-BBRMVZONSA-N 2 2 277.412 1.782 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000825131375 752179679 /nfs/dbraw/zinc/17/96/79/752179679.db2.gz NBUAQEJPWCBZEH-CYBMUJFWSA-N 2 2 298.814 1.900 20 10 CDCDLP C[C@H]([NH2+]CC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817934633 750292139 /nfs/dbraw/zinc/29/21/39/750292139.db2.gz LXHXSOVEYFGQFP-NSHDSACASA-N 2 2 267.348 1.272 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981042 751044648 /nfs/dbraw/zinc/04/46/48/751044648.db2.gz XTQKXNWQHHJULL-SUMWQHHRSA-N 2 2 291.439 1.858 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981042 751044657 /nfs/dbraw/zinc/04/46/57/751044657.db2.gz XTQKXNWQHHJULL-SUMWQHHRSA-N 2 2 291.439 1.858 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817982457 930657656 /nfs/dbraw/zinc/65/76/56/930657656.db2.gz SPCCGDCMNMWMRR-TZMCWYRMSA-N 2 2 282.359 1.951 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000817982794 930657953 /nfs/dbraw/zinc/65/79/53/930657953.db2.gz HJRATNVXIHYXBH-DOMZBBRYSA-N 2 2 263.385 1.392 20 10 CDCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278185 939751604 /nfs/dbraw/zinc/75/16/04/939751604.db2.gz WVSKABPQOIBCHK-RISCZKNCSA-N 2 2 262.353 1.624 20 10 CDCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278185 939751608 /nfs/dbraw/zinc/75/16/08/939751608.db2.gz WVSKABPQOIBCHK-RISCZKNCSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278185 939751611 /nfs/dbraw/zinc/75/16/11/939751611.db2.gz WVSKABPQOIBCHK-RISCZKNCSA-N 2 2 262.353 1.624 20 10 CDCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278185 939751615 /nfs/dbraw/zinc/75/16/15/939751615.db2.gz WVSKABPQOIBCHK-RISCZKNCSA-N 2 2 262.353 1.624 20 10 CDCDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246172259 948006929 /nfs/dbraw/zinc/00/69/29/948006929.db2.gz HHFFLFYWFJZWSH-GDBMZVCRSA-N 3 2 288.439 1.326 20 10 CDCDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253205256 951802065 /nfs/dbraw/zinc/80/20/65/951802065.db2.gz BAVSPPMCCYCMOD-OAHLLOKOSA-N 2 2 278.396 1.414 20 10 CDCDLP COCC[N@H+](C)CC[NH2+]Cc1cccc(C)c1O ZINC000124759011 360395793 /nfs/dbraw/zinc/39/57/93/360395793.db2.gz ACEPEHOZZIQXAL-UHFFFAOYSA-N 2 2 252.358 1.368 20 10 CDCDLP COCC[N@@H+](C)CC[NH2+]Cc1cccc(C)c1O ZINC000124759011 360395804 /nfs/dbraw/zinc/39/58/04/360395804.db2.gz ACEPEHOZZIQXAL-UHFFFAOYSA-N 2 2 252.358 1.368 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068800737 524762723 /nfs/dbraw/zinc/76/27/23/524762723.db2.gz VMARKXLLIVRCGL-CHWSQXEVSA-N 2 2 293.411 1.297 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068800737 524762729 /nfs/dbraw/zinc/76/27/29/524762729.db2.gz VMARKXLLIVRCGL-CHWSQXEVSA-N 2 2 293.411 1.297 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786899 576671687 /nfs/dbraw/zinc/67/16/87/576671687.db2.gz LOTUVXLAHPINMI-QMTHXVAHSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786899 576671688 /nfs/dbraw/zinc/67/16/88/576671688.db2.gz LOTUVXLAHPINMI-QMTHXVAHSA-N 2 2 284.787 1.763 20 10 CDCDLP CCOC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045827 621588988 /nfs/dbraw/zinc/58/89/88/621588988.db2.gz QYEFEDNWTVKUMW-WFASDCNBSA-N 2 2 265.401 1.767 20 10 CDCDLP Oc1cc(F)c(F)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001580888437 1172565888 /nfs/dbraw/zinc/56/58/88/1172565888.db2.gz LAYPDYBBOIDAKF-UHFFFAOYSA-N 2 2 254.280 1.512 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000843044209 755749934 /nfs/dbraw/zinc/74/99/34/755749934.db2.gz YJSIGDLIJKOOOK-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000843044209 755749945 /nfs/dbraw/zinc/74/99/45/755749945.db2.gz YJSIGDLIJKOOOK-GFCCVEGCSA-N 2 2 250.342 1.714 20 10 CDCDLP CCN(CC)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000841098446 754034643 /nfs/dbraw/zinc/03/46/43/754034643.db2.gz DXRRCYMFFIAJBZ-MRXNPFEDSA-N 2 2 277.412 1.611 20 10 CDCDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775412491 754394719 /nfs/dbraw/zinc/39/47/19/754394719.db2.gz NJQVOQGATBRNCU-AWEZNQCLSA-N 2 2 291.395 1.207 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000853249657 754805454 /nfs/dbraw/zinc/80/54/54/754805454.db2.gz SPHVMPIFKRSVLB-QMMMGPOBSA-N 2 2 273.174 1.852 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000817944304 757034206 /nfs/dbraw/zinc/03/42/06/757034206.db2.gz ZAZRVSYAPNGRNO-IVMMDQJWSA-N 2 2 277.412 1.910 20 10 CDCDLP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000817902196 757374701 /nfs/dbraw/zinc/37/47/01/757374701.db2.gz KPTJMUFZTKORBK-DLBZAZTESA-N 2 2 288.391 1.478 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+][C@@H](C)C[NH3+])c1O ZINC000841062758 758224114 /nfs/dbraw/zinc/22/41/14/758224114.db2.gz DOSGHIYPYFKWDV-QMMMGPOBSA-N 2 2 273.174 1.900 20 10 CDCDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886525004 758347831 /nfs/dbraw/zinc/34/78/31/758347831.db2.gz VOMAWVBXFMFOGA-QWHCGFSZSA-N 2 2 295.402 1.818 20 10 CDCDLP CC[NH+]1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC000041117900 1165994600 /nfs/dbraw/zinc/99/46/00/1165994600.db2.gz SFMZWBQIMIDSIN-UHFFFAOYSA-N 2 2 250.342 1.672 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970130 930656486 /nfs/dbraw/zinc/65/64/86/930656486.db2.gz MFTOTLTXEMLUPW-DTWKUNHWSA-N 2 2 252.314 1.177 20 10 CDCDLP Oc1ccccc1C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275267633 931718759 /nfs/dbraw/zinc/71/87/59/931718759.db2.gz UROBUTLXLZIJSP-UHFFFAOYSA-N 2 2 298.390 1.407 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205201692 939834656 /nfs/dbraw/zinc/83/46/56/939834656.db2.gz KFLVYJZFYOOKPK-ZWNOBZJWSA-N 2 2 278.352 1.029 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205201692 939834658 /nfs/dbraw/zinc/83/46/58/939834658.db2.gz KFLVYJZFYOOKPK-ZWNOBZJWSA-N 2 2 278.352 1.029 20 10 CDCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363571 260094673 /nfs/dbraw/zinc/09/46/73/260094673.db2.gz IRYZOXRVOFPCAY-LBPRGKRZSA-N 2 2 257.337 1.996 20 10 CDCDLP CC(=O)c1cc(Cl)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750040183 576973140 /nfs/dbraw/zinc/97/31/40/576973140.db2.gz UHCJVRNVLMZAID-RYUDHWBXSA-N 2 2 294.782 1.899 20 10 CDCDLP CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1F ZINC000925530153 617460324 /nfs/dbraw/zinc/46/03/24/617460324.db2.gz OKEVKSHHHBKYCU-AVVLXZEZSA-N 2 2 289.398 1.978 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000841044374 618678798 /nfs/dbraw/zinc/67/87/98/618678798.db2.gz WEWFSJPAKYWRNG-XUJLQICISA-N 3 2 276.428 1.612 20 10 CDCDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841063977 618679556 /nfs/dbraw/zinc/67/95/56/618679556.db2.gz CYTJNBLIKSPARU-WMLDXEAASA-N 2 2 289.423 1.753 20 10 CDCDLP [NH3+]CC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000841107354 618683021 /nfs/dbraw/zinc/68/30/21/618683021.db2.gz GWVNDLFUWHJTDM-UHFFFAOYSA-N 2 2 270.760 1.331 20 10 CDCDLP c1cn(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000041063269 768837232 /nfs/dbraw/zinc/83/72/32/768837232.db2.gz VFMDEVZOUFJABQ-UHFFFAOYSA-N 2 2 286.379 1.510 20 10 CDCDLP COc1cc(O)c(C[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000179727682 769077034 /nfs/dbraw/zinc/07/70/34/769077034.db2.gz RPHRKCJWFFWJOQ-UHFFFAOYSA-N 2 2 294.395 1.935 20 10 CDCDLP CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CC[NH2+]C1 ZINC000843052952 771191198 /nfs/dbraw/zinc/19/11/98/771191198.db2.gz QFJBUERZXILCSZ-GFCCVEGCSA-N 2 2 278.352 1.695 20 10 CDCDLP CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CC[NH2+]C1 ZINC000843052952 771191206 /nfs/dbraw/zinc/19/12/06/771191206.db2.gz QFJBUERZXILCSZ-GFCCVEGCSA-N 2 2 278.352 1.695 20 10 CDCDLP CCC[NH2+]CC[NH2+]Cc1cc(OCC)ccc1O ZINC000841046801 771968563 /nfs/dbraw/zinc/96/85/63/771968563.db2.gz NRCSBXOYWISMML-UHFFFAOYSA-N 2 2 252.358 1.880 20 10 CDCDLP C[NH2+]CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841037319 773363865 /nfs/dbraw/zinc/36/38/65/773363865.db2.gz YIJQEDQMJFYMGQ-UHFFFAOYSA-N 2 2 273.174 1.772 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C3)cc2F)CC1 ZINC001345235289 964640392 /nfs/dbraw/zinc/64/03/92/964640392.db2.gz OSHKGTMWIFIJCO-HDJSIYSDSA-N 3 2 292.402 1.157 20 10 CDCDLP C[NH2+]CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001578691611 1171983038 /nfs/dbraw/zinc/98/30/38/1171983038.db2.gz RLUYUMVJNBKFML-UHFFFAOYSA-N 2 2 257.328 1.730 20 10 CDCDLP COc1ccc(N2CCC([NH2+]CC[NH+](C)C)CC2)cc1 ZINC000365122602 524403143 /nfs/dbraw/zinc/40/31/43/524403143.db2.gz DVQWTNSUDIQBNU-UHFFFAOYSA-N 2 2 277.412 1.815 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786896 576671863 /nfs/dbraw/zinc/67/18/63/576671863.db2.gz LOTUVXLAHPINMI-IINYFYTJSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000762786896 576671865 /nfs/dbraw/zinc/67/18/65/576671865.db2.gz LOTUVXLAHPINMI-IINYFYTJSA-N 2 2 284.787 1.763 20 10 CDCDLP CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)ccc1OC ZINC000841098088 630552818 /nfs/dbraw/zinc/55/28/18/630552818.db2.gz BXYVRJJHEHTHSJ-HNNXBMFYSA-N 2 2 294.395 1.310 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229925 1165526708 /nfs/dbraw/zinc/52/67/08/1165526708.db2.gz IYHONMDRUUPOFN-KGLIPLIRSA-N 2 2 250.317 1.906 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000824559015 774836755 /nfs/dbraw/zinc/83/67/55/774836755.db2.gz COUCHPVNZITKRV-QGZVFWFLSA-N 2 2 291.439 1.689 20 10 CDCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000824559015 774836757 /nfs/dbraw/zinc/83/67/57/774836757.db2.gz COUCHPVNZITKRV-QGZVFWFLSA-N 2 2 291.439 1.689 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000775368806 775629750 /nfs/dbraw/zinc/62/97/50/775629750.db2.gz GHTPJORSRMOWBH-STQMWFEESA-N 2 2 294.395 1.508 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942450 779340873 /nfs/dbraw/zinc/34/08/73/779340873.db2.gz OXKQUZFLSZGXHP-LRDDRELGSA-N 2 2 287.411 1.837 20 10 CDCDLP COc1cc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204801661 939792441 /nfs/dbraw/zinc/79/24/41/939792441.db2.gz SAFVTDUKNALYMH-CQSZACIVSA-N 2 2 250.342 1.632 20 10 CDCDLP COc1cc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204801661 939792442 /nfs/dbraw/zinc/79/24/42/939792442.db2.gz SAFVTDUKNALYMH-CQSZACIVSA-N 2 2 250.342 1.632 20 10 CDCDLP [NH3+][C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1F ZINC001206182628 939992794 /nfs/dbraw/zinc/99/27/94/939992794.db2.gz CKQGAECQPUXIJK-CABZTGNLSA-N 2 2 274.286 1.932 20 10 CDCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1F ZINC001206182628 939992796 /nfs/dbraw/zinc/99/27/96/939992796.db2.gz CKQGAECQPUXIJK-CABZTGNLSA-N 2 2 274.286 1.932 20 10 CDCDLP Cc1cccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001231594750 942939231 /nfs/dbraw/zinc/93/92/31/942939231.db2.gz OTJPWVKSPHQRPY-UHFFFAOYSA-N 2 2 275.396 1.132 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235983374 944347120 /nfs/dbraw/zinc/34/71/20/944347120.db2.gz ZNHPIUFZDKPCJT-DOMZBBRYSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235983374 944347129 /nfs/dbraw/zinc/34/71/29/944347129.db2.gz ZNHPIUFZDKPCJT-DOMZBBRYSA-N 2 2 262.353 1.714 20 10 CDCDLP CC[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236044558 944387945 /nfs/dbraw/zinc/38/79/45/944387945.db2.gz NZFVXNKJBOOMEM-ZDUSSCGKSA-N 2 2 264.369 1.939 20 10 CDCDLP CC[N@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236044558 944387952 /nfs/dbraw/zinc/38/79/52/944387952.db2.gz NZFVXNKJBOOMEM-ZDUSSCGKSA-N 2 2 264.369 1.939 20 10 CDCDLP Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379916 944737557 /nfs/dbraw/zinc/73/75/57/944737557.db2.gz DRYBHDUTUNKAKG-CHWSQXEVSA-N 2 2 262.353 1.672 20 10 CDCDLP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379916 944737566 /nfs/dbraw/zinc/73/75/66/944737566.db2.gz DRYBHDUTUNKAKG-CHWSQXEVSA-N 2 2 262.353 1.672 20 10 CDCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001331835583 957290661 /nfs/dbraw/zinc/29/06/61/957290661.db2.gz RIBGSHBEUZESPV-UPJWGTAASA-N 2 2 276.380 1.827 20 10 CDCDLP Cc1cccc(C[NH2+]CCC[NH+]2CCOCC2)c1O ZINC000083478843 357100331 /nfs/dbraw/zinc/10/03/31/357100331.db2.gz DPDKKWUEEGPUQM-UHFFFAOYSA-N 2 2 264.369 1.513 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000273382193 365490850 /nfs/dbraw/zinc/49/08/50/365490850.db2.gz IOAAXIHIHLHZJW-YPMHNXCESA-N 2 2 282.359 1.639 20 10 CDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(C)ccc1O ZINC000184542326 262022822 /nfs/dbraw/zinc/02/28/22/262022822.db2.gz IWCDXBUGMGQWDZ-UHFFFAOYSA-N 2 2 252.358 1.104 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(OCC)ccc1O ZINC000841064247 618679229 /nfs/dbraw/zinc/67/92/29/618679229.db2.gz AFSVFZHAWPCIHQ-LLVKDONJSA-N 2 2 252.358 1.879 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000841065894 618680069 /nfs/dbraw/zinc/68/00/69/618680069.db2.gz UULGWIRFGQTVCZ-ZYHUDNBSSA-N 2 2 250.342 1.631 20 10 CDCDLP COc1c(O)c(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000895293168 619525416 /nfs/dbraw/zinc/52/54/16/619525416.db2.gz GMGSJGNHNFROHE-SNVBAGLBSA-N 2 2 297.355 1.739 20 10 CDCDLP Cc1nn(C)cc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046284 621589831 /nfs/dbraw/zinc/58/98/31/621589831.db2.gz ZBUBQYOKDZFULP-INIZCTEOSA-N 2 2 287.411 1.584 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000841062753 621612044 /nfs/dbraw/zinc/61/20/44/621612044.db2.gz DHGKETSQVKEZAX-MWLCHTKSSA-N 2 2 295.339 1.539 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817952615 783025564 /nfs/dbraw/zinc/02/55/64/783025564.db2.gz RWIMDHOHGIXWFU-CMPLNLGQSA-N 2 2 278.352 1.581 20 10 CDCDLP CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1O ZINC000843355060 783041958 /nfs/dbraw/zinc/04/19/58/783041958.db2.gz BCNIFGJKIQZNBR-HNNXBMFYSA-N 2 2 280.343 1.951 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000817982528 781568344 /nfs/dbraw/zinc/56/83/44/781568344.db2.gz DUHKMIMRXAONCC-STQMWFEESA-N 2 2 264.369 1.648 20 10 CDCDLP COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000841079710 781890022 /nfs/dbraw/zinc/89/00/22/781890022.db2.gz PUMXRDHRSHWFKX-QWRGUYRKSA-N 2 2 284.331 1.199 20 10 CDCDLP COCCC[NH+]1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172247527 911516092 /nfs/dbraw/zinc/51/60/92/911516092.db2.gz LNDSWTXBXWWESX-UHFFFAOYSA-N 2 2 294.395 1.688 20 10 CDCDLP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000070175480 917202301 /nfs/dbraw/zinc/20/23/01/917202301.db2.gz BILZQOTXMNOBLR-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP COc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000070175480 917202312 /nfs/dbraw/zinc/20/23/12/917202312.db2.gz BILZQOTXMNOBLR-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP [NH3+][C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001205358247 920098275 /nfs/dbraw/zinc/09/82/75/920098275.db2.gz UXFRZFMBBNDMQV-UKRRQHHQSA-N 2 2 258.321 1.049 20 10 CDCDLP [NH3+][C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001205358247 920098283 /nfs/dbraw/zinc/09/82/83/920098283.db2.gz UXFRZFMBBNDMQV-UKRRQHHQSA-N 2 2 258.321 1.049 20 10 CDCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841035664 936972925 /nfs/dbraw/zinc/97/29/25/936972925.db2.gz JOJKIMSJLLBIIS-NSHDSACASA-N 2 2 270.760 1.896 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000843044211 937105662 /nfs/dbraw/zinc/10/56/62/937105662.db2.gz YJSIGDLIJKOOOK-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000843044211 937105664 /nfs/dbraw/zinc/10/56/64/937105664.db2.gz YJSIGDLIJKOOOK-LBPRGKRZSA-N 2 2 250.342 1.714 20 10 CDCDLP COc1c(O)c(C[N@@H+](C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843124411 937115105 /nfs/dbraw/zinc/11/51/05/937115105.db2.gz ALVDWRSVFZTDID-UHFFFAOYSA-N 2 2 281.312 1.231 20 10 CDCDLP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000863651572 929584693 /nfs/dbraw/zinc/58/46/93/929584693.db2.gz LEPQUALEEXFEMS-UHFFFAOYSA-N 2 2 276.739 1.592 20 10 CDCDLP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000863651572 929584700 /nfs/dbraw/zinc/58/47/00/929584700.db2.gz LEPQUALEEXFEMS-UHFFFAOYSA-N 2 2 276.739 1.592 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817964980 930653651 /nfs/dbraw/zinc/65/36/51/930653651.db2.gz LVLNCPSRCCGVHG-LBPRGKRZSA-N 2 2 252.358 1.587 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817983965 930657710 /nfs/dbraw/zinc/65/77/10/930657710.db2.gz SQCUOYNFBBJWSI-DGCLKSJQSA-N 2 2 268.332 1.560 20 10 CDCDLP Oc1ccccc1C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275266590 931719304 /nfs/dbraw/zinc/71/93/04/931719304.db2.gz BHPHNFGKRDNWQD-UHFFFAOYSA-N 2 2 298.390 1.549 20 10 CDCDLP Oc1cc(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC001144514815 931877369 /nfs/dbraw/zinc/87/73/69/931877369.db2.gz SYQPTHAWAGZUCQ-UHFFFAOYSA-N 2 2 289.335 1.837 20 10 CDCDLP COc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000778189669 933850104 /nfs/dbraw/zinc/85/01/04/933850104.db2.gz SUWKUGYWPBJUSD-GFCCVEGCSA-N 2 2 273.336 1.702 20 10 CDCDLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205332506 939882359 /nfs/dbraw/zinc/88/23/59/939882359.db2.gz QLHKJJAORDIBCP-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205332506 939882364 /nfs/dbraw/zinc/88/23/64/939882364.db2.gz QLHKJJAORDIBCP-LBPRGKRZSA-N 3 2 291.395 1.058 20 10 CDCDLP Oc1cc(F)c(F)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502843 941604318 /nfs/dbraw/zinc/60/43/18/941604318.db2.gz UOPXRHCTJGCHHL-KBPBESRZSA-N 2 2 297.349 1.196 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839400 366159560 /nfs/dbraw/zinc/15/95/60/366159560.db2.gz KTEQJBKGUKNEFB-KGLIPLIRSA-N 2 2 262.353 1.345 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1c(O)cccc1F ZINC000886590145 781949622 /nfs/dbraw/zinc/94/96/22/781949622.db2.gz ORHSYBPKBMYDCJ-HZMBPMFUSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1c(O)cccc1F ZINC000886590145 781949630 /nfs/dbraw/zinc/94/96/30/781949630.db2.gz ORHSYBPKBMYDCJ-HZMBPMFUSA-N 2 2 268.332 1.249 20 10 CDCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872627 365427192 /nfs/dbraw/zinc/42/71/92/365427192.db2.gz OYQFVJOKDYIGBA-TZMCWYRMSA-N 2 2 291.395 1.383 20 10 CDCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872627 365427200 /nfs/dbraw/zinc/42/72/00/365427200.db2.gz OYQFVJOKDYIGBA-TZMCWYRMSA-N 2 2 291.395 1.383 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000293885076 370841566 /nfs/dbraw/zinc/84/15/66/370841566.db2.gz VPQHRFMSVLOQLZ-HUUCEWRRSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000293885076 370841570 /nfs/dbraw/zinc/84/15/70/370841570.db2.gz VPQHRFMSVLOQLZ-HUUCEWRRSA-N 2 2 291.439 1.905 20 10 CDCDLP c1cn(CCC[NH2+]Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000037362991 173151789 /nfs/dbraw/zinc/15/17/89/173151789.db2.gz NNMCYYKHZSGYKO-UHFFFAOYSA-N 2 2 257.337 1.998 20 10 CDCDLP COc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000894032974 618251137 /nfs/dbraw/zinc/25/11/37/618251137.db2.gz VQVYYDLMDSZBSS-GXTWGEPZSA-N 2 2 276.380 1.893 20 10 CDCDLP COc1cc(C)cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000894032974 618251145 /nfs/dbraw/zinc/25/11/45/618251145.db2.gz VQVYYDLMDSZBSS-GXTWGEPZSA-N 2 2 276.380 1.893 20 10 CDCDLP [NH3+]CC1(F)CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001222548365 900227223 /nfs/dbraw/zinc/22/72/23/900227223.db2.gz IMUXGUMSUGWADB-UHFFFAOYSA-N 2 2 274.286 1.933 20 10 CDCDLP Oc1c(Cl)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125138 919751014 /nfs/dbraw/zinc/75/10/14/919751014.db2.gz XBYQBYNAXKOBKN-ZDUSSCGKSA-N 2 2 295.814 1.525 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959944 930646751 /nfs/dbraw/zinc/64/67/51/930646751.db2.gz IBEVZPDGMJYLLT-VIFPVBQESA-N 2 2 266.341 1.567 20 10 CDCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000817983585 930658196 /nfs/dbraw/zinc/65/81/96/930658196.db2.gz OMOJXNAITSHTFS-CMPLNLGQSA-N 2 2 266.341 1.040 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818431994 930708156 /nfs/dbraw/zinc/70/81/56/930708156.db2.gz ZXLZDJDLDHONIM-LSDHHAIUSA-N 2 2 286.379 1.361 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818431994 930708161 /nfs/dbraw/zinc/70/81/61/930708161.db2.gz ZXLZDJDLDHONIM-LSDHHAIUSA-N 2 2 286.379 1.361 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300083012 931082531 /nfs/dbraw/zinc/08/25/31/931082531.db2.gz FMRZQGQZNJYLHH-ZYHUDNBSSA-N 2 2 250.342 1.570 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300083012 931082538 /nfs/dbraw/zinc/08/25/38/931082538.db2.gz FMRZQGQZNJYLHH-ZYHUDNBSSA-N 2 2 250.342 1.570 20 10 CDCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880775 939711425 /nfs/dbraw/zinc/71/14/25/939711425.db2.gz ZIHHAHXEMQMPQN-HNNXBMFYSA-N 2 2 262.353 1.625 20 10 CDCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880775 939711427 /nfs/dbraw/zinc/71/14/27/939711427.db2.gz ZIHHAHXEMQMPQN-HNNXBMFYSA-N 2 2 262.353 1.625 20 10 CDCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880775 939711428 /nfs/dbraw/zinc/71/14/28/939711428.db2.gz ZIHHAHXEMQMPQN-HNNXBMFYSA-N 2 2 262.353 1.625 20 10 CDCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880775 939711430 /nfs/dbraw/zinc/71/14/30/939711430.db2.gz ZIHHAHXEMQMPQN-HNNXBMFYSA-N 2 2 262.353 1.625 20 10 CDCDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829994 939942344 /nfs/dbraw/zinc/94/23/44/939942344.db2.gz QLFGAQCTYPFWAY-VHSXEESVSA-N 2 2 266.341 1.363 20 10 CDCDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829994 939942347 /nfs/dbraw/zinc/94/23/47/939942347.db2.gz QLFGAQCTYPFWAY-VHSXEESVSA-N 2 2 266.341 1.363 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)cc1O ZINC001231638956 942955031 /nfs/dbraw/zinc/95/50/31/942955031.db2.gz JAMLPOLUOORZEJ-MLGOLLRUSA-N 2 2 292.379 1.490 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)cc1O ZINC001231638956 942955034 /nfs/dbraw/zinc/95/50/34/942955034.db2.gz JAMLPOLUOORZEJ-MLGOLLRUSA-N 2 2 292.379 1.490 20 10 CDCDLP COc1cc(N2CC[NH2+]CC2)ccc1/C(C)=C/C=C/[NH3+] ZINC001244289224 947353787 /nfs/dbraw/zinc/35/37/87/947353787.db2.gz NZFMXJQTUZVXGR-MVXHYVOWSA-N 2 2 273.380 1.981 20 10 CDCDLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1OCC2 ZINC000112839296 391140074 /nfs/dbraw/zinc/14/00/74/391140074.db2.gz MFXPTDRNEQZZAP-HZPDHXFCSA-N 2 2 288.391 1.574 20 10 CDCDLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc2c1OCC2 ZINC000112839296 391140077 /nfs/dbraw/zinc/14/00/77/391140077.db2.gz MFXPTDRNEQZZAP-HZPDHXFCSA-N 2 2 288.391 1.574 20 10 CDCDLP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000841044803 618678769 /nfs/dbraw/zinc/67/87/69/618678769.db2.gz IKHJNRCHKDVEKK-NSHDSACASA-N 2 2 285.185 1.915 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229927 1165528309 /nfs/dbraw/zinc/52/83/09/1165528309.db2.gz IYHONMDRUUPOFN-ZIAGYGMSSA-N 2 2 250.317 1.906 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000312687368 785049828 /nfs/dbraw/zinc/04/98/28/785049828.db2.gz PZYJXJOMJLLUQX-HNNXBMFYSA-N 2 2 280.343 1.905 20 10 CDCDLP COc1c(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000841028029 785327929 /nfs/dbraw/zinc/32/79/29/785327929.db2.gz JRQRXFISXPYJMZ-JTQLQIEISA-N 2 2 281.312 1.136 20 10 CDCDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000817894698 786159650 /nfs/dbraw/zinc/15/96/50/786159650.db2.gz PZDYOFWXVMGWPG-GDBMZVCRSA-N 2 2 291.439 1.918 20 10 CDCDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649122 786193289 /nfs/dbraw/zinc/19/32/89/786193289.db2.gz ISKDJPVHMMBDLT-VXGBXAGGSA-N 2 2 252.358 1.355 20 10 CDCDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649122 786193295 /nfs/dbraw/zinc/19/32/95/786193295.db2.gz ISKDJPVHMMBDLT-VXGBXAGGSA-N 2 2 252.358 1.355 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511448 786395837 /nfs/dbraw/zinc/39/58/37/786395837.db2.gz UHJDJKYGBABKAU-NEPJUHHUSA-N 2 2 282.359 1.639 20 10 CDCDLP CC[NH2+]CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841037201 786824159 /nfs/dbraw/zinc/82/41/59/786824159.db2.gz PYMBMFODHWGDKJ-UHFFFAOYSA-N 2 2 263.385 1.222 20 10 CDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000817983001 787673160 /nfs/dbraw/zinc/67/31/60/787673160.db2.gz JKZUBDMPVPUDCP-CMPLNLGQSA-N 2 2 284.787 1.993 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000925764472 787810835 /nfs/dbraw/zinc/81/08/35/787810835.db2.gz ZNFAARXDTQVPPZ-DLBZAZTESA-N 3 2 288.439 1.408 20 10 CDCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000817943315 788228654 /nfs/dbraw/zinc/22/86/54/788228654.db2.gz UHBHWXOGBUISCX-RCBQFDQVSA-N 2 2 277.412 1.910 20 10 CDCDLP COc1cccc(O)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841032633 788242797 /nfs/dbraw/zinc/24/27/97/788242797.db2.gz IKSCPTMROVXYGY-LLVKDONJSA-N 2 2 250.342 1.633 20 10 CDCDLP Cc1ccc(O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001140623973 897200885 /nfs/dbraw/zinc/20/08/85/897200885.db2.gz ZPOLEENSUWDODU-UHFFFAOYSA-N 2 2 275.396 1.132 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236883427 916997733 /nfs/dbraw/zinc/99/77/33/916997733.db2.gz ADVOGRNRZSRBEU-NSHDSACASA-N 2 2 268.357 1.579 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236883427 916997743 /nfs/dbraw/zinc/99/77/43/916997743.db2.gz ADVOGRNRZSRBEU-NSHDSACASA-N 2 2 268.357 1.579 20 10 CDCDLP [NH3+][C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117755 939824726 /nfs/dbraw/zinc/82/47/26/939824726.db2.gz UIURPDMOGFQTGD-JTQLQIEISA-N 2 2 252.314 1.117 20 10 CDCDLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117755 939824728 /nfs/dbraw/zinc/82/47/28/939824728.db2.gz UIURPDMOGFQTGD-JTQLQIEISA-N 2 2 252.314 1.117 20 10 CDCDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206563719 940061364 /nfs/dbraw/zinc/06/13/64/940061364.db2.gz HYCHNRQCOKHHSZ-OAHLLOKOSA-N 2 2 280.368 1.754 20 10 CDCDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206563719 940061366 /nfs/dbraw/zinc/06/13/66/940061366.db2.gz HYCHNRQCOKHHSZ-OAHLLOKOSA-N 2 2 280.368 1.754 20 10 CDCDLP COc1cc(O)c(C[NH+]2CC(C)(C[NH3+])C2)cc1OC ZINC001206738299 940083248 /nfs/dbraw/zinc/08/32/48/940083248.db2.gz ZHSZOBQGGXRTJH-UHFFFAOYSA-N 2 2 266.341 1.190 20 10 CDCDLP Oc1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235121484 944060935 /nfs/dbraw/zinc/06/09/35/944060935.db2.gz DXZMPCTWAIHHGU-OAHLLOKOSA-N 2 2 262.353 1.816 20 10 CDCDLP Oc1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235121484 944060944 /nfs/dbraw/zinc/06/09/44/944060944.db2.gz DXZMPCTWAIHHGU-OAHLLOKOSA-N 2 2 262.353 1.816 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(CO)C3)c(F)c2)CC1 ZINC001236934099 944618778 /nfs/dbraw/zinc/61/87/78/944618778.db2.gz CPBDZHKGWKPEON-UHFFFAOYSA-N 2 2 293.386 1.002 20 10 CDCDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237203419 944694843 /nfs/dbraw/zinc/69/48/43/944694843.db2.gz GOGIPFJJLYWVLM-HIFRSBDPSA-N 3 2 274.412 1.018 20 10 CDCDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237203419 944694846 /nfs/dbraw/zinc/69/48/46/944694846.db2.gz GOGIPFJJLYWVLM-HIFRSBDPSA-N 3 2 274.412 1.018 20 10 CDCDLP C[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC001326236760 954279944 /nfs/dbraw/zinc/27/99/44/954279944.db2.gz NPHXOHOCWQRTCE-QGZVFWFLSA-N 2 2 288.439 1.362 20 10 CDCDLP C[N@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC001326236760 954279955 /nfs/dbraw/zinc/27/99/55/954279955.db2.gz NPHXOHOCWQRTCE-QGZVFWFLSA-N 2 2 288.439 1.362 20 10 CDCDLP CCOc1cccc(C[NH2+]CC[N@H+](C)CCOC)c1O ZINC000061375400 521362830 /nfs/dbraw/zinc/36/28/30/521362830.db2.gz HLEWEOBZWVFPPP-UHFFFAOYSA-N 2 2 282.384 1.459 20 10 CDCDLP CCOc1cccc(C[NH2+]CC[N@@H+](C)CCOC)c1O ZINC000061375400 521362836 /nfs/dbraw/zinc/36/28/36/521362836.db2.gz HLEWEOBZWVFPPP-UHFFFAOYSA-N 2 2 282.384 1.459 20 10 CDCDLP Oc1c(Br)cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396215 575445537 /nfs/dbraw/zinc/44/55/37/575445537.db2.gz ZAPVXUFEKOXDDG-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP Oc1c(Br)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396215 575445538 /nfs/dbraw/zinc/44/55/38/575445538.db2.gz ZAPVXUFEKOXDDG-PHIMTYICSA-N 2 2 297.196 1.806 20 10 CDCDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841063975 618679192 /nfs/dbraw/zinc/67/91/92/618679192.db2.gz CYTJNBLIKSPARU-PBHICJAKSA-N 2 2 289.423 1.753 20 10 CDCDLP COc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000841064337 621625183 /nfs/dbraw/zinc/62/51/83/621625183.db2.gz FDDNGTTZSLOOMU-ZWNOBZJWSA-N 2 2 250.342 1.631 20 10 CDCDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1O ZINC000817934965 791843904 /nfs/dbraw/zinc/84/39/04/791843904.db2.gz ROVMBJSGZXZTPV-SSDOTTSWSA-N 2 2 259.147 1.764 20 10 CDCDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841060522 795037346 /nfs/dbraw/zinc/03/73/46/795037346.db2.gz YPYMNDHZEIZPGO-LLVKDONJSA-N 2 2 267.348 1.099 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1O ZINC001203599178 939695597 /nfs/dbraw/zinc/69/55/97/939695597.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1O ZINC001203599178 939695598 /nfs/dbraw/zinc/69/55/98/939695598.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1O ZINC001203599178 939695601 /nfs/dbraw/zinc/69/56/01/939695601.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1O ZINC001203599178 939695602 /nfs/dbraw/zinc/69/56/02/939695602.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 2 2 276.380 1.927 20 10 CDCDLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180155654 357246816 /nfs/dbraw/zinc/24/68/16/357246816.db2.gz JCIHNVSBDRZNKO-UHFFFAOYSA-N 2 2 296.386 1.810 20 10 CDCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180155654 357246820 /nfs/dbraw/zinc/24/68/20/357246820.db2.gz JCIHNVSBDRZNKO-UHFFFAOYSA-N 2 2 296.386 1.810 20 10 CDCDLP CCOc1cccc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000041119112 521364710 /nfs/dbraw/zinc/36/47/10/521364710.db2.gz KGPGEGPPZBDOSV-UHFFFAOYSA-N 2 2 261.325 1.777 20 10 CDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841087328 628428973 /nfs/dbraw/zinc/42/89/73/628428973.db2.gz UVKHKDKBKQBVAI-INIZCTEOSA-N 2 2 289.423 1.753 20 10 CDCDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000857226572 796873440 /nfs/dbraw/zinc/87/34/40/796873440.db2.gz RQWLKAKLISWQHU-BXUZGUMPSA-N 2 2 250.317 1.845 20 10 CDCDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000857226572 796873446 /nfs/dbraw/zinc/87/34/46/796873446.db2.gz RQWLKAKLISWQHU-BXUZGUMPSA-N 2 2 250.317 1.845 20 10 CDCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079129 796916587 /nfs/dbraw/zinc/91/65/87/796916587.db2.gz ZEPUAGPNAOEDDM-JZYVYDRUSA-N 2 2 283.169 1.462 20 10 CDCDLP COC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974930 797088439 /nfs/dbraw/zinc/08/84/39/797088439.db2.gz OKKPUWCRXDYFPX-XHDPSFHLSA-N 2 2 282.359 1.951 20 10 CDCDLP c1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc2c1OCC2 ZINC000925560959 797409230 /nfs/dbraw/zinc/40/92/30/797409230.db2.gz XRUXKLSPRJEWGM-WAXYHTEFSA-N 2 2 270.376 1.708 20 10 CDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817958408 797697046 /nfs/dbraw/zinc/69/70/46/797697046.db2.gz JMQJQNYXACZMDN-MFKMUULPSA-N 2 2 280.368 1.813 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839497 797889548 /nfs/dbraw/zinc/88/95/48/797889548.db2.gz WLZQDQUSSSRVSI-CVEARBPZSA-N 2 2 290.407 1.956 20 10 CDCDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839497 797889550 /nfs/dbraw/zinc/88/95/50/797889550.db2.gz WLZQDQUSSSRVSI-CVEARBPZSA-N 2 2 290.407 1.956 20 10 CDCDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233326 797975924 /nfs/dbraw/zinc/97/59/24/797975924.db2.gz XUPYUBJTCYNWPE-STQMWFEESA-N 2 2 295.402 1.921 20 10 CDCDLP CCOc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1O ZINC001236865760 916967710 /nfs/dbraw/zinc/96/77/10/916967710.db2.gz OFZUDAVQZSKPRM-LBPRGKRZSA-N 2 2 252.358 1.960 20 10 CDCDLP CCOc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1O ZINC001236865760 916967717 /nfs/dbraw/zinc/96/77/17/916967717.db2.gz OFZUDAVQZSKPRM-LBPRGKRZSA-N 2 2 252.358 1.960 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047527 919342511 /nfs/dbraw/zinc/34/25/11/919342511.db2.gz SMUFYKXAEUBFAA-JTQLQIEISA-N 2 2 295.339 1.480 20 10 CDCDLP COc1c(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047527 919342528 /nfs/dbraw/zinc/34/25/28/919342528.db2.gz SMUFYKXAEUBFAA-JTQLQIEISA-N 2 2 295.339 1.480 20 10 CDCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276537062 940209435 /nfs/dbraw/zinc/20/94/35/940209435.db2.gz BHTAYULHRDKJSH-OKILXGFUSA-N 2 2 293.386 1.351 20 10 CDCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276537062 940209437 /nfs/dbraw/zinc/20/94/37/940209437.db2.gz BHTAYULHRDKJSH-OKILXGFUSA-N 2 2 293.386 1.351 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC000311925919 941338222 /nfs/dbraw/zinc/33/82/22/941338222.db2.gz FNKSTRYRVVZEOE-IUODEOHRSA-N 2 2 259.397 1.991 20 10 CDCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC000311925919 941338224 /nfs/dbraw/zinc/33/82/24/941338224.db2.gz FNKSTRYRVVZEOE-IUODEOHRSA-N 2 2 259.397 1.991 20 10 CDCDLP Oc1ccc(F)cc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502056 941604516 /nfs/dbraw/zinc/60/45/16/941604516.db2.gz DYKPHFHLRQFIIX-KBPBESRZSA-N 2 2 279.359 1.057 20 10 CDCDLP Oc1ccc(F)cc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502056 941604518 /nfs/dbraw/zinc/60/45/18/941604518.db2.gz DYKPHFHLRQFIIX-KBPBESRZSA-N 2 2 279.359 1.057 20 10 CDCDLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011530 943462226 /nfs/dbraw/zinc/46/22/26/943462226.db2.gz CKWSDGIUOORBNN-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011530 943462229 /nfs/dbraw/zinc/46/22/29/943462229.db2.gz CKWSDGIUOORBNN-UHFFFAOYSA-N 2 2 280.368 1.720 20 10 CDCDLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235005865 944005363 /nfs/dbraw/zinc/00/53/63/944005363.db2.gz BYNLCFXGRHBDEO-UHFFFAOYSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235005865 944005366 /nfs/dbraw/zinc/00/53/66/944005366.db2.gz BYNLCFXGRHBDEO-UHFFFAOYSA-N 3 2 286.423 1.019 20 10 CDCDLP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983375 944347226 /nfs/dbraw/zinc/34/72/26/944347226.db2.gz ZNHPIUFZDKPCJT-IUODEOHRSA-N 2 2 262.353 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983375 944347238 /nfs/dbraw/zinc/34/72/38/944347238.db2.gz ZNHPIUFZDKPCJT-IUODEOHRSA-N 2 2 262.353 1.714 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)cc1O ZINC001235989712 944354556 /nfs/dbraw/zinc/35/45/56/944354556.db2.gz JOOGUNPWEGWNJZ-IINYFYTJSA-N 2 2 264.325 1.030 20 10 CDCDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)cc1O ZINC001235989712 944354563 /nfs/dbraw/zinc/35/45/63/944354563.db2.gz JOOGUNPWEGWNJZ-IINYFYTJSA-N 2 2 264.325 1.030 20 10 CDCDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990635 944355251 /nfs/dbraw/zinc/35/52/51/944355251.db2.gz KLSLXEODCPLWNK-RDJZCZTQSA-N 3 2 286.423 1.019 20 10 CDCDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235990635 944355255 /nfs/dbraw/zinc/35/52/55/944355255.db2.gz KLSLXEODCPLWNK-RDJZCZTQSA-N 3 2 286.423 1.019 20 10 CDCDLP C[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC001326236758 954279830 /nfs/dbraw/zinc/27/98/30/954279830.db2.gz NPHXOHOCWQRTCE-KRWDZBQOSA-N 2 2 288.439 1.362 20 10 CDCDLP C[N@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC001326236758 954279840 /nfs/dbraw/zinc/27/98/40/954279840.db2.gz NPHXOHOCWQRTCE-KRWDZBQOSA-N 2 2 288.439 1.362 20 10 CDCDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345103930 964575871 /nfs/dbraw/zinc/57/58/71/964575871.db2.gz JIHNMXAUCPVEIT-AWEZNQCLSA-N 3 2 294.418 1.404 20 10 CDCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839398 366160331 /nfs/dbraw/zinc/16/03/31/366160331.db2.gz KTEQJBKGUKNEFB-ZIAGYGMSSA-N 2 2 262.353 1.345 20 10 CDCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253996 365154926 /nfs/dbraw/zinc/15/49/26/365154926.db2.gz MBZOTFRTAGPLJN-AAEUAGOBSA-N 2 2 290.363 1.647 20 10 CDCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253996 365154930 /nfs/dbraw/zinc/15/49/30/365154930.db2.gz MBZOTFRTAGPLJN-AAEUAGOBSA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253996 365154937 /nfs/dbraw/zinc/15/49/37/365154937.db2.gz MBZOTFRTAGPLJN-AAEUAGOBSA-N 2 2 290.363 1.647 20 10 CDCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253996 365154939 /nfs/dbraw/zinc/15/49/39/365154939.db2.gz MBZOTFRTAGPLJN-AAEUAGOBSA-N 2 2 290.363 1.647 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000068800506 525422070 /nfs/dbraw/zinc/42/20/70/525422070.db2.gz MLCJIKCUKIHMPS-STQMWFEESA-N 2 2 263.385 1.289 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1O ZINC000068800506 525422072 /nfs/dbraw/zinc/42/20/72/525422072.db2.gz MLCJIKCUKIHMPS-STQMWFEESA-N 2 2 263.385 1.289 20 10 CDCDLP Cc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c(O)c1 ZINC000876511941 1165860156 /nfs/dbraw/zinc/86/01/56/1165860156.db2.gz CQTUWPMHFAQVBB-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP Cc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c(O)c1 ZINC000876511941 1165860162 /nfs/dbraw/zinc/86/01/62/1165860162.db2.gz CQTUWPMHFAQVBB-UHFFFAOYSA-N 2 2 278.396 1.589 20 10 CDCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653617 811890628 /nfs/dbraw/zinc/89/06/28/811890628.db2.gz OJDKQPJNTKEWRU-GFCCVEGCSA-N 2 2 281.375 1.441 20 10 CDCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653617 811890630 /nfs/dbraw/zinc/89/06/30/811890630.db2.gz OJDKQPJNTKEWRU-GFCCVEGCSA-N 2 2 281.375 1.441 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000841027704 813872611 /nfs/dbraw/zinc/87/26/11/813872611.db2.gz FMDXOHQFHOSYQA-QGZVFWFLSA-N 3 2 288.439 1.265 20 10 CDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511450 813925278 /nfs/dbraw/zinc/92/52/78/813925278.db2.gz UHJDJKYGBABKAU-RYUDHWBXSA-N 2 2 282.359 1.639 20 10 CDCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944255 816905717 /nfs/dbraw/zinc/90/57/17/816905717.db2.gz YNQMTKDYVOHDKG-DOMZBBRYSA-N 2 2 287.411 1.837 20 10 CDCDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1O ZINC000854232361 817053199 /nfs/dbraw/zinc/05/31/99/817053199.db2.gz NIOZISNQGWKXAO-QMMMGPOBSA-N 2 2 292.314 1.336 20 10 CDCDLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccccc1O ZINC000817964791 817669560 /nfs/dbraw/zinc/66/95/60/817669560.db2.gz IYYCRTZDRMPIPG-CYBMUJFWSA-N 2 2 252.358 1.669 20 10 CDCDLP c1cn(CC[NH2+]Cc2ccc3c(c2)CCCO3)c[nH+]1 ZINC000921483720 914939675 /nfs/dbraw/zinc/93/96/75/914939675.db2.gz UFUNVGUWQHXKRD-UHFFFAOYSA-N 2 2 257.337 1.998 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(O)CC2)cc1 ZINC000817941491 930638298 /nfs/dbraw/zinc/63/82/98/930638298.db2.gz JZRHWEDFISQYDF-BCLQGDPASA-N 2 2 277.412 1.646 20 10 CDCDLP [NH3+]CC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001205041411 939817196 /nfs/dbraw/zinc/81/71/96/939817196.db2.gz UQAYKGPOJNVHKW-UHFFFAOYSA-N 2 2 256.296 1.841 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001236883608 944600377 /nfs/dbraw/zinc/60/03/77/944600377.db2.gz GVXOJDBSLIDAIB-NSHDSACASA-N 2 2 268.357 1.579 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001236883608 944600382 /nfs/dbraw/zinc/60/03/82/944600382.db2.gz GVXOJDBSLIDAIB-NSHDSACASA-N 2 2 268.357 1.579 20 10 CDCDLP CCCOc1ccc(C[NH2+]CC[N@H+](CC)CCO)c(O)c1 ZINC000274411639 365655588 /nfs/dbraw/zinc/65/55/88/365655588.db2.gz OUXDRNUUCDLKAL-UHFFFAOYSA-N 2 2 296.411 1.585 20 10 CDCDLP CCCOc1ccc(C[NH2+]CC[N@@H+](CC)CCO)c(O)c1 ZINC000274411639 365655596 /nfs/dbraw/zinc/65/55/96/365655596.db2.gz OUXDRNUUCDLKAL-UHFFFAOYSA-N 2 2 296.411 1.585 20 10 CDCDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(Cl)c2O)CC1 ZINC000271851953 365001563 /nfs/dbraw/zinc/00/15/63/365001563.db2.gz WJBHMHULUUXRNQ-UHFFFAOYSA-N 2 2 298.814 1.934 20 10 CDCDLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(Cl)c2O)CC1 ZINC000271851953 365001567 /nfs/dbraw/zinc/00/15/67/365001567.db2.gz WJBHMHULUUXRNQ-UHFFFAOYSA-N 2 2 298.814 1.934 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1O ZINC000068800169 521366221 /nfs/dbraw/zinc/36/62/21/521366221.db2.gz FAGDUGHSUJFAEC-AWEZNQCLSA-N 2 2 293.411 1.126 20 10 CDCDLP CCOc1cccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1O ZINC000068800169 521366227 /nfs/dbraw/zinc/36/62/27/521366227.db2.gz FAGDUGHSUJFAEC-AWEZNQCLSA-N 2 2 293.411 1.126 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841043088 618677803 /nfs/dbraw/zinc/67/78/03/618677803.db2.gz OWIUUHOLVCEVRB-INIZCTEOSA-N 3 2 288.439 1.280 20 10 CDCDLP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817895839 822377578 /nfs/dbraw/zinc/37/75/78/822377578.db2.gz WVIWSHHLLDLPOF-WMLDXEAASA-N 2 2 289.423 1.753 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205806931 925169326 /nfs/dbraw/zinc/16/93/26/925169326.db2.gz WPFBDICLZQNVPQ-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205806931 925169330 /nfs/dbraw/zinc/16/93/30/925169330.db2.gz WPFBDICLZQNVPQ-WCQYABFASA-N 2 2 264.369 1.960 20 10 CDCDLP Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120698 937114221 /nfs/dbraw/zinc/11/42/21/937114221.db2.gz BQBOFKOTQNYLKM-CYBMUJFWSA-N 2 2 295.814 1.525 20 10 CDCDLP Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120698 937114222 /nfs/dbraw/zinc/11/42/22/937114222.db2.gz BQBOFKOTQNYLKM-CYBMUJFWSA-N 2 2 295.814 1.525 20 10 CDCDLP Nc1cc[nH+]cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209737918 940635271 /nfs/dbraw/zinc/63/52/71/940635271.db2.gz UEFOCQCMUGFRNQ-UHFFFAOYSA-N 2 2 255.321 1.758 20 10 CDCDLP Nc1cc[nH+]cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001209737918 940635273 /nfs/dbraw/zinc/63/52/73/940635273.db2.gz UEFOCQCMUGFRNQ-UHFFFAOYSA-N 2 2 255.321 1.758 20 10 CDCDLP COc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c(O)cc1O ZINC001231640907 942956507 /nfs/dbraw/zinc/95/65/07/942956507.db2.gz WFFBCOMAJILVIV-UHFFFAOYSA-N 2 2 292.379 1.777 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665158 390903756 /nfs/dbraw/zinc/90/37/56/390903756.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 2 2 290.407 1.855 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665158 390903758 /nfs/dbraw/zinc/90/37/58/390903758.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 2 2 290.407 1.855 20 10 CDCDLP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000894206268 618707887 /nfs/dbraw/zinc/70/78/87/618707887.db2.gz GGCFSEVHHHWBPT-ZDUSSCGKSA-N 2 2 264.369 1.893 20 10 CDCDLP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000894206268 618707891 /nfs/dbraw/zinc/70/78/91/618707891.db2.gz GGCFSEVHHHWBPT-ZDUSSCGKSA-N 2 2 264.369 1.893 20 10 CDCDLP Cc1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001140954759 1159547608 /nfs/dbraw/zinc/54/76/08/1159547608.db2.gz YEKMKBLQWINPIH-UHFFFAOYSA-N 2 2 275.396 1.132 20 10 CDCDLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1[NH3+] ZINC000300081363 1160981584 /nfs/dbraw/zinc/98/15/84/1160981584.db2.gz AONNQJDVVCGLAT-IUODEOHRSA-N 2 2 259.397 1.848 20 10 CDCDLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1[NH3+] ZINC000300081363 1160981588 /nfs/dbraw/zinc/98/15/88/1160981588.db2.gz AONNQJDVVCGLAT-IUODEOHRSA-N 2 2 259.397 1.848 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891626 /nfs/dbraw/zinc/89/16/26/823891626.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 2 2 295.339 1.478 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891627 /nfs/dbraw/zinc/89/16/27/823891627.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 2 2 295.339 1.478 20 10 CDCDLP [NH3+]CC1(O)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841107296 824078195 /nfs/dbraw/zinc/07/81/95/824078195.db2.gz FFLYWXWZZZZQKU-UHFFFAOYSA-N 2 2 288.750 1.470 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000817943296 824148614 /nfs/dbraw/zinc/14/86/14/824148614.db2.gz UCWRQSWAMTWZDC-BHTHQVBYSA-N 2 2 277.412 1.908 20 10 CDCDLP Oc1c(F)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125180 825621899 /nfs/dbraw/zinc/62/18/99/825621899.db2.gz ZROCDYXNFUVYIZ-ZDUSSCGKSA-N 2 2 279.359 1.011 20 10 CDCDLP COCC[NH2+]CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817964539 825803933 /nfs/dbraw/zinc/80/39/33/825803933.db2.gz FAEOJZKJYOIBAY-ZDUSSCGKSA-N 2 2 266.385 1.896 20 10 CDCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000817983259 826047869 /nfs/dbraw/zinc/04/78/69/826047869.db2.gz LGISCAKTCMCQPL-VXGBXAGGSA-N 2 2 250.342 1.340 20 10 CDCDLP COc1cc(O)c(C[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000849350748 826390760 /nfs/dbraw/zinc/39/07/60/826390760.db2.gz UXNVCOQSUKINTP-UHFFFAOYSA-N 2 2 268.357 1.579 20 10 CDCDLP COc1cc(O)c(C[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000849350748 826390767 /nfs/dbraw/zinc/39/07/67/826390767.db2.gz UXNVCOQSUKINTP-UHFFFAOYSA-N 2 2 268.357 1.579 20 10 CDCDLP C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1O ZINC000863651919 826725287 /nfs/dbraw/zinc/72/52/87/826725287.db2.gz PEHWWVRPPZCEGB-UHFFFAOYSA-N 2 2 258.749 1.453 20 10 CDCDLP C[N@@H+](CCOCC[NH3+])Cc1cccc(Cl)c1O ZINC000863651919 826725301 /nfs/dbraw/zinc/72/53/01/826725301.db2.gz PEHWWVRPPZCEGB-UHFFFAOYSA-N 2 2 258.749 1.453 20 10 CDCDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000857226573 826825765 /nfs/dbraw/zinc/82/57/65/826825765.db2.gz RQWLKAKLISWQHU-FZMZJTMJSA-N 2 2 250.317 1.845 20 10 CDCDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000857226573 826825768 /nfs/dbraw/zinc/82/57/68/826825768.db2.gz RQWLKAKLISWQHU-FZMZJTMJSA-N 2 2 250.317 1.845 20 10 CDCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127492 826853488 /nfs/dbraw/zinc/85/34/88/826853488.db2.gz RRFQFIXYBNAJFS-GXFFZTMASA-N 2 2 250.317 1.715 20 10 CDCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127492 826853490 /nfs/dbraw/zinc/85/34/90/826853490.db2.gz RRFQFIXYBNAJFS-GXFFZTMASA-N 2 2 250.317 1.715 20 10 CDCDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001206163835 911541788 /nfs/dbraw/zinc/54/17/88/911541788.db2.gz GIFGFQYKTPJBPP-VXGBXAGGSA-N 2 2 256.296 1.793 20 10 CDCDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001206163835 911541796 /nfs/dbraw/zinc/54/17/96/911541796.db2.gz GIFGFQYKTPJBPP-VXGBXAGGSA-N 2 2 256.296 1.793 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(=O)CC3)cc2)CC1 ZINC001139408783 936617972 /nfs/dbraw/zinc/61/79/72/936617972.db2.gz QUZVXEQQEPRHHA-UHFFFAOYSA-N 2 2 287.407 1.603 20 10 CDCDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770768 924880596 /nfs/dbraw/zinc/88/05/96/924880596.db2.gz NYFXDXAUXRUWQE-SNVBAGLBSA-N 2 2 274.286 1.947 20 10 CDCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770768 924880605 /nfs/dbraw/zinc/88/06/05/924880605.db2.gz NYFXDXAUXRUWQE-SNVBAGLBSA-N 2 2 274.286 1.947 20 10 CDCDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203881057 939711276 /nfs/dbraw/zinc/71/12/76/939711276.db2.gz LHRYFYKGUYOKFO-UHFFFAOYSA-N 2 2 252.358 1.871 20 10 CDCDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203881057 939711277 /nfs/dbraw/zinc/71/12/77/939711277.db2.gz LHRYFYKGUYOKFO-UHFFFAOYSA-N 2 2 252.358 1.871 20 10 CDCDLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205332505 939881888 /nfs/dbraw/zinc/88/18/88/939881888.db2.gz QLHKJJAORDIBCP-GFCCVEGCSA-N 3 2 291.395 1.058 20 10 CDCDLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205332505 939881891 /nfs/dbraw/zinc/88/18/91/939881891.db2.gz QLHKJJAORDIBCP-GFCCVEGCSA-N 3 2 291.395 1.058 20 10 CDCDLP CCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206736320 940082819 /nfs/dbraw/zinc/08/28/19/940082819.db2.gz BXPSSERGNPUMHS-UHFFFAOYSA-N 2 2 250.342 1.572 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233487126 943595724 /nfs/dbraw/zinc/59/57/24/943595724.db2.gz RBTITEJWJWNBMM-IAQYHMDHSA-N 2 2 278.352 1.187 20 10 CDCDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233487126 943595728 /nfs/dbraw/zinc/59/57/28/943595728.db2.gz RBTITEJWJWNBMM-IAQYHMDHSA-N 2 2 278.352 1.187 20 10 CDCDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977668 944343283 /nfs/dbraw/zinc/34/32/83/944343283.db2.gz HDUCSXCNUHQPSZ-NVXWUHKLSA-N 2 2 287.407 1.446 20 10 CDCDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977668 944343292 /nfs/dbraw/zinc/34/32/92/944343292.db2.gz HDUCSXCNUHQPSZ-NVXWUHKLSA-N 2 2 287.407 1.446 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236883464 944599723 /nfs/dbraw/zinc/59/97/23/944599723.db2.gz BTZIVRNINHVCKA-ZDUSSCGKSA-N 3 2 279.384 1.043 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236883464 944599727 /nfs/dbraw/zinc/59/97/27/944599727.db2.gz BTZIVRNINHVCKA-ZDUSSCGKSA-N 3 2 279.384 1.043 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300416291 261199357 /nfs/dbraw/zinc/19/93/57/261199357.db2.gz OOWAKBVNYSEMQF-UONOGXRCSA-N 2 2 280.343 1.484 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300416291 261199359 /nfs/dbraw/zinc/19/93/59/261199359.db2.gz OOWAKBVNYSEMQF-UONOGXRCSA-N 2 2 280.343 1.484 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000068800525 525922139 /nfs/dbraw/zinc/92/21/39/525922139.db2.gz KPPGIUKOZPLNFD-UONOGXRCSA-N 2 2 277.412 1.597 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000068800525 525922147 /nfs/dbraw/zinc/92/21/47/525922147.db2.gz KPPGIUKOZPLNFD-UONOGXRCSA-N 2 2 277.412 1.597 20 10 CDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnn(C)c2)cc1 ZINC000841040245 618677398 /nfs/dbraw/zinc/67/73/98/618677398.db2.gz JQJLNRWYBHWWEQ-OAHLLOKOSA-N 2 2 273.384 1.276 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841066964 618680021 /nfs/dbraw/zinc/68/00/21/618680021.db2.gz XZWDXYJIFKKFGW-SECBINFHSA-N 2 2 252.314 1.209 20 10 CDCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228365299 829806676 /nfs/dbraw/zinc/80/66/76/829806676.db2.gz DHMACDULHZNZAU-FZMZJTMJSA-N 2 2 250.342 1.249 20 10 CDCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228365299 829806678 /nfs/dbraw/zinc/80/66/78/829806678.db2.gz DHMACDULHZNZAU-FZMZJTMJSA-N 2 2 250.342 1.249 20 10 CDCDLP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000817902197 829938588 /nfs/dbraw/zinc/93/85/88/829938588.db2.gz KPTJMUFZTKORBK-IAGOWNOFSA-N 2 2 288.391 1.478 20 10 CDCDLP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000817902199 834099362 /nfs/dbraw/zinc/09/93/62/834099362.db2.gz KPTJMUFZTKORBK-SJORKVTESA-N 2 2 288.391 1.478 20 10 CDCDLP Oc1cccc(Br)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000706855339 834418262 /nfs/dbraw/zinc/41/82/62/834418262.db2.gz DQCZZEOOQZIPGN-NXEZZACHSA-N 2 2 297.196 1.806 20 10 CDCDLP Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872984 925894520 /nfs/dbraw/zinc/89/45/20/925894520.db2.gz XYRCNFUVJHGAGN-SKDRFNHKSA-N 2 2 250.342 1.575 20 10 CDCDLP Cc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872984 925894528 /nfs/dbraw/zinc/89/45/28/925894528.db2.gz XYRCNFUVJHGAGN-SKDRFNHKSA-N 2 2 250.342 1.575 20 10 CDCDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977665 944343106 /nfs/dbraw/zinc/34/31/06/944343106.db2.gz HDUCSXCNUHQPSZ-DOTOQJQBSA-N 2 2 287.407 1.446 20 10 CDCDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977665 944343118 /nfs/dbraw/zinc/34/31/18/944343118.db2.gz HDUCSXCNUHQPSZ-DOTOQJQBSA-N 2 2 287.407 1.446 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001236868559 944594904 /nfs/dbraw/zinc/59/49/04/944594904.db2.gz NAPCOKGYYXHWGU-INIZCTEOSA-N 3 2 290.455 1.608 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001236868559 944594908 /nfs/dbraw/zinc/59/49/08/944594908.db2.gz NAPCOKGYYXHWGU-INIZCTEOSA-N 3 2 290.455 1.608 20 10 CDCDLP c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001326074027 954207535 /nfs/dbraw/zinc/20/75/35/954207535.db2.gz DLMWOMQWEISART-INIZCTEOSA-N 2 2 275.396 1.365 20 10 CDCDLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272539150 263006137 /nfs/dbraw/zinc/00/61/37/263006137.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272539150 263006138 /nfs/dbraw/zinc/00/61/38/263006138.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272539150 263006139 /nfs/dbraw/zinc/00/61/39/263006139.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272539150 263006140 /nfs/dbraw/zinc/00/61/40/263006140.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 2 276.380 1.927 20 10 CDCDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCC)cc1O ZINC000841065696 618680100 /nfs/dbraw/zinc/68/01/00/618680100.db2.gz LCZFYCICKKLAHM-LLVKDONJSA-N 2 2 252.358 1.879 20 10 CDCDLP CC[C@@H](COC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046163 621589862 /nfs/dbraw/zinc/58/98/62/621589862.db2.gz XEJUNLUIWXTUBC-ZFWWWQNUSA-N 2 2 265.401 1.767 20 10 CDCDLP COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c(O)c1OC ZINC001579218006 1172118546 /nfs/dbraw/zinc/11/85/46/1172118546.db2.gz MNVYQQIRDBAFFP-CJNGLKHVSA-N 2 2 292.379 1.784 20 10 CDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000717368889 835886018 /nfs/dbraw/zinc/88/60/18/835886018.db2.gz ULRXMHIKVKZHEE-KOLCDFICSA-N 2 2 256.321 1.104 20 10 CDCDLP COc1cccc(O)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188116 839876339 /nfs/dbraw/zinc/87/63/39/839876339.db2.gz RDYPRRKRXCAGJH-NSHDSACASA-N 2 2 273.336 1.702 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205829761 939942178 /nfs/dbraw/zinc/94/21/78/939942178.db2.gz PQHSYHSAYNKEMV-NEPJUHHUSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205829761 939942180 /nfs/dbraw/zinc/94/21/80/939942180.db2.gz PQHSYHSAYNKEMV-NEPJUHHUSA-N 2 2 294.395 1.969 20 10 CDCDLP FC1(F)C[NH2+]CC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218011046 941035283 /nfs/dbraw/zinc/03/52/83/941035283.db2.gz DNJBIQAEQBXSFD-AWEZNQCLSA-N 2 2 297.349 1.472 20 10 CDCDLP Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222502944 941604061 /nfs/dbraw/zinc/60/40/61/941604061.db2.gz XPVOQILKFKLQAJ-GJZGRUSLSA-N 2 2 275.396 1.226 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1C ZINC000273612175 365514178 /nfs/dbraw/zinc/51/41/78/365514178.db2.gz WLIINLVSXIQXIO-LSDHHAIUSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1C ZINC000273612175 365514184 /nfs/dbraw/zinc/51/41/84/365514184.db2.gz WLIINLVSXIQXIO-LSDHHAIUSA-N 2 2 291.439 1.905 20 10 CDCDLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000289325940 369544449 /nfs/dbraw/zinc/54/44/49/369544449.db2.gz HABVBELQOACRMW-AWEZNQCLSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000289325940 369544453 /nfs/dbraw/zinc/54/44/53/369544453.db2.gz HABVBELQOACRMW-AWEZNQCLSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289325940 369544456 /nfs/dbraw/zinc/54/44/56/369544456.db2.gz HABVBELQOACRMW-AWEZNQCLSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289325940 369544460 /nfs/dbraw/zinc/54/44/60/369544460.db2.gz HABVBELQOACRMW-AWEZNQCLSA-N 2 2 264.369 1.279 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803341 525420714 /nfs/dbraw/zinc/42/07/14/525420714.db2.gz DWKMDSKKRSJBCA-AAEUAGOBSA-N 2 2 281.375 1.428 20 10 CDCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1O ZINC000068803341 525420719 /nfs/dbraw/zinc/42/07/19/525420719.db2.gz DWKMDSKKRSJBCA-AAEUAGOBSA-N 2 2 281.375 1.428 20 10 CDCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841085376 844445333 /nfs/dbraw/zinc/44/53/33/844445333.db2.gz AUGISJTYBGFJFM-ZDUSSCGKSA-N 2 2 264.325 1.351 20 10 CDCDLP Cc1cc(O)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000825131378 842993808 /nfs/dbraw/zinc/99/38/08/842993808.db2.gz NBUAQEJPWCBZEH-ZDUSSCGKSA-N 2 2 298.814 1.900 20 10 CDCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000817943300 845280543 /nfs/dbraw/zinc/28/05/43/845280543.db2.gz UCWRQSWAMTWZDC-MPTQWLOMSA-N 2 2 277.412 1.908 20 10 CDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1O ZINC000817981465 846107401 /nfs/dbraw/zinc/10/74/01/846107401.db2.gz KOMOQWGRFBBURV-PWSUYJOCSA-N 2 2 268.332 1.560 20 10 CDCDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841029977 847465749 /nfs/dbraw/zinc/46/57/49/847465749.db2.gz IGZADMWCFGKDOV-LLVKDONJSA-N 2 2 297.355 1.916 20 10 CDCDLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117756 913808001 /nfs/dbraw/zinc/80/80/01/913808001.db2.gz UIURPDMOGFQTGD-SNVBAGLBSA-N 2 2 252.314 1.117 20 10 CDCDLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117756 913808012 /nfs/dbraw/zinc/80/80/12/913808012.db2.gz UIURPDMOGFQTGD-SNVBAGLBSA-N 2 2 252.314 1.117 20 10 CDCDLP CC[NH+]1CCN(c2ccc(OC3C[NH+](C)C3)cc2)CC1 ZINC001234658292 943931829 /nfs/dbraw/zinc/93/18/29/943931829.db2.gz ZMDYXJMHTBNEMR-UHFFFAOYSA-N 2 2 275.396 1.521 20 10 CDCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001236884980 944601962 /nfs/dbraw/zinc/60/19/62/944601962.db2.gz WVTPNQTXVHERDK-ZDUSSCGKSA-N 2 2 280.368 1.277 20 10 CDCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001236884980 944601965 /nfs/dbraw/zinc/60/19/65/944601965.db2.gz WVTPNQTXVHERDK-ZDUSSCGKSA-N 2 2 280.368 1.277 20 10 CDCDLP Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379922 944737164 /nfs/dbraw/zinc/73/71/64/944737164.db2.gz DRYBHDUTUNKAKG-STQMWFEESA-N 2 2 262.353 1.672 20 10 CDCDLP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379922 944737170 /nfs/dbraw/zinc/73/71/70/944737170.db2.gz DRYBHDUTUNKAKG-STQMWFEESA-N 2 2 262.353 1.672 20 10 CDCDLP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210165 948029673 /nfs/dbraw/zinc/02/96/73/948029673.db2.gz CGDGRAIUQBQSHP-MWLCHTKSSA-N 2 2 266.341 1.076 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272587356 365309254 /nfs/dbraw/zinc/30/92/54/365309254.db2.gz HHVLZHRCWVDHLO-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272587356 365309256 /nfs/dbraw/zinc/30/92/56/365309256.db2.gz HHVLZHRCWVDHLO-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272587356 365309257 /nfs/dbraw/zinc/30/92/57/365309257.db2.gz HHVLZHRCWVDHLO-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272587356 365309259 /nfs/dbraw/zinc/30/92/59/365309259.db2.gz HHVLZHRCWVDHLO-WFASDCNBSA-N 2 2 276.380 1.927 20 10 CDCDLP Oc1c(Br)cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770396212 575445087 /nfs/dbraw/zinc/44/50/87/575445087.db2.gz ZAPVXUFEKOXDDG-GHMZBOCLSA-N 2 2 297.196 1.806 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043656 618677817 /nfs/dbraw/zinc/67/78/17/618677817.db2.gz URMHDHISNURBJE-OAHLLOKOSA-N 2 2 275.396 1.365 20 10 CDCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817939565 698370586 /nfs/dbraw/zinc/37/05/86/698370586.db2.gz COVDUSDHLBEFNM-JGGQBBKZSA-N 2 2 277.412 1.767 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752219 698409364 /nfs/dbraw/zinc/40/93/64/698409364.db2.gz NBITWEQFAKIDFJ-QMTHXVAHSA-N 2 2 284.787 1.763 20 10 CDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841752219 698409374 /nfs/dbraw/zinc/40/93/74/698409374.db2.gz NBITWEQFAKIDFJ-QMTHXVAHSA-N 2 2 284.787 1.763 20 10 CDCDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cc1O ZINC000796936125 698425641 /nfs/dbraw/zinc/42/56/41/698425641.db2.gz DSRVMCVTWIXOSM-ZFWWWQNUSA-N 2 2 282.359 1.639 20 10 CDCDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000796936125 698425660 /nfs/dbraw/zinc/42/56/60/698425660.db2.gz DSRVMCVTWIXOSM-ZFWWWQNUSA-N 2 2 282.359 1.639 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2c1c(F)ccc2O ZINC000817984168 848185007 /nfs/dbraw/zinc/18/50/07/848185007.db2.gz VQYLDTYLKMEVSN-JFGNBEQYSA-N 2 2 280.343 1.658 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cc1O ZINC000796754284 849124619 /nfs/dbraw/zinc/12/46/19/849124619.db2.gz JBSLMPVADXMKAL-WCQYABFASA-N 2 2 270.348 1.495 20 10 CDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902404 849377361 /nfs/dbraw/zinc/37/73/61/849377361.db2.gz PSAJFGDHOCQEQZ-SWLSCSKDSA-N 2 2 276.380 1.478 20 10 CDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C#N)CC3)cc2)CC1 ZINC001139411625 936618027 /nfs/dbraw/zinc/61/80/27/936618027.db2.gz VPEJYDDFGUBMKZ-UHFFFAOYSA-N 2 2 299.422 1.037 20 10 CDCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516422 931880915 /nfs/dbraw/zinc/88/09/15/931880915.db2.gz YDHLDOKYXMEHFH-GWCFXTLKSA-N 2 2 278.352 1.329 20 10 CDCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516422 931880927 /nfs/dbraw/zinc/88/09/27/931880927.db2.gz YDHLDOKYXMEHFH-GWCFXTLKSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516422 931880931 /nfs/dbraw/zinc/88/09/31/931880931.db2.gz YDHLDOKYXMEHFH-GWCFXTLKSA-N 2 2 278.352 1.329 20 10 CDCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516422 931880941 /nfs/dbraw/zinc/88/09/41/931880941.db2.gz YDHLDOKYXMEHFH-GWCFXTLKSA-N 2 2 278.352 1.329 20 10 CDCDLP COc1ccc(N2CC[NH+](Cc3c[nH+]ccc3N)CC2)cc1 ZINC001209726273 940629545 /nfs/dbraw/zinc/62/95/45/940629545.db2.gz FGQVRYMPCUDXNO-UHFFFAOYSA-N 2 2 298.390 1.825 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC000405861079 940999344 /nfs/dbraw/zinc/99/93/44/940999344.db2.gz IQKXMPVKWSIVBE-CQSZACIVSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC000405861079 940999348 /nfs/dbraw/zinc/99/93/48/940999348.db2.gz IQKXMPVKWSIVBE-CQSZACIVSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1O ZINC000405861071 940999359 /nfs/dbraw/zinc/99/93/59/940999359.db2.gz IQKXMPVKWSIVBE-AWEZNQCLSA-N 2 2 250.342 1.714 20 10 CDCDLP CCOc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1O ZINC000405861071 940999364 /nfs/dbraw/zinc/99/93/64/940999364.db2.gz IQKXMPVKWSIVBE-AWEZNQCLSA-N 2 2 250.342 1.714 20 10 CDCDLP COc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)cc1O ZINC001235989713 944354037 /nfs/dbraw/zinc/35/40/37/944354037.db2.gz JOOGUNPWEGWNJZ-QMTHXVAHSA-N 2 2 264.325 1.030 20 10 CDCDLP COc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)cc1O ZINC001235989713 944354040 /nfs/dbraw/zinc/35/40/40/944354040.db2.gz JOOGUNPWEGWNJZ-QMTHXVAHSA-N 2 2 264.325 1.030 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000293885083 370841507 /nfs/dbraw/zinc/84/15/07/370841507.db2.gz VPQHRFMSVLOQLZ-LSDHHAIUSA-N 2 2 291.439 1.905 20 10 CDCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC000293885083 370841511 /nfs/dbraw/zinc/84/15/11/370841511.db2.gz VPQHRFMSVLOQLZ-LSDHHAIUSA-N 2 2 291.439 1.905 20 10 CDCDLP COc1c(O)c(C[NH2+]C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278570097 263049123 /nfs/dbraw/zinc/04/91/23/263049123.db2.gz CRGKNLFTNLUKSV-UHFFFAOYSA-N 2 2 295.339 1.493 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252738626 334388355 /nfs/dbraw/zinc/38/83/55/334388355.db2.gz FONGDJPMYXISOB-STQMWFEESA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252738626 334388356 /nfs/dbraw/zinc/38/83/56/334388356.db2.gz FONGDJPMYXISOB-STQMWFEESA-N 2 2 296.798 1.998 20 10 CDCDLP Oc1cc2c(cc1C[NH2+]CCCn1cc[nH+]c1)OCO2 ZINC000042879650 526336088 /nfs/dbraw/zinc/33/60/88/526336088.db2.gz WFGYOABRXXJNFD-UHFFFAOYSA-N 2 2 275.308 1.497 20 10 CDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057546 618691205 /nfs/dbraw/zinc/69/12/05/618691205.db2.gz JOQXPUUAZIXDEN-WFASDCNBSA-N 2 2 264.369 1.557 20 10 CDCDLP Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057546 618691209 /nfs/dbraw/zinc/69/12/09/618691209.db2.gz JOQXPUUAZIXDEN-WFASDCNBSA-N 2 2 264.369 1.557 20 10 CDCDLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1O ZINC000841062779 621612476 /nfs/dbraw/zinc/61/24/76/621612476.db2.gz FMYCKDJBKNPXRL-ZETCQYMHSA-N 2 2 259.147 1.592 20 10 CDCDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204925431 1160989252 /nfs/dbraw/zinc/98/92/52/1160989252.db2.gz SLESRBKDIWSCJJ-QGZVFWFLSA-N 3 2 288.439 1.409 20 10 CDCDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204925431 1160989255 /nfs/dbraw/zinc/98/92/55/1160989255.db2.gz SLESRBKDIWSCJJ-QGZVFWFLSA-N 3 2 288.439 1.409 20 10 CDCDLP COc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1O ZINC001579144255 1172105905 /nfs/dbraw/zinc/10/59/05/1172105905.db2.gz ALOZFYBZIFIAAK-CYBMUJFWSA-N 2 2 264.369 1.797 20 10 CDCDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921930209 705528007 /nfs/dbraw/zinc/52/80/07/705528007.db2.gz IIZNOYWGKIEAND-MRXNPFEDSA-N 2 2 278.396 1.414 20 10 CDCDLP CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c(O)c1 ZINC000843055249 705680231 /nfs/dbraw/zinc/68/02/31/705680231.db2.gz HQJQMDWHGUPQML-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c(O)c1 ZINC000843055249 705680236 /nfs/dbraw/zinc/68/02/36/705680236.db2.gz HQJQMDWHGUPQML-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C)cc1O ZINC000817982027 706129115 /nfs/dbraw/zinc/12/91/15/706129115.db2.gz AYYXMGCPRCECNB-TZMCWYRMSA-N 2 2 264.369 1.730 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000843051763 709562560 /nfs/dbraw/zinc/56/25/60/709562560.db2.gz LNFNBNGTZMRYDJ-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000843051763 709562582 /nfs/dbraw/zinc/56/25/82/709562582.db2.gz LNFNBNGTZMRYDJ-DGCLKSJQSA-N 2 2 294.395 1.969 20 10 CDCDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045915 710136499 /nfs/dbraw/zinc/13/64/99/710136499.db2.gz LSURCZVODUNGJM-ZYHUDNBSSA-N 2 2 278.352 1.823 20 10 CDCDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843045915 710136509 /nfs/dbraw/zinc/13/65/09/710136509.db2.gz LSURCZVODUNGJM-ZYHUDNBSSA-N 2 2 278.352 1.823 20 10 CDCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843051458 711397256 /nfs/dbraw/zinc/39/72/56/711397256.db2.gz INLUSFRBYIGJGY-AWEZNQCLSA-N 3 2 276.428 1.217 20 10 CDCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843051458 711397261 /nfs/dbraw/zinc/39/72/61/711397261.db2.gz INLUSFRBYIGJGY-AWEZNQCLSA-N 3 2 276.428 1.217 20 10 CDCDLP COc1c(O)c(C[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843047410 711812118 /nfs/dbraw/zinc/81/21/18/711812118.db2.gz NZLVOGNPEHIJQM-UHFFFAOYSA-N 2 2 281.312 1.232 20 10 CDCDLP CC[NH+]1CCN(c2ccc(C[NH+]3CC(OC)C3)cc2)CC1 ZINC001140299631 936699157 /nfs/dbraw/zinc/69/91/57/936699157.db2.gz CNKZBHDMPWQAJG-UHFFFAOYSA-N 2 2 289.423 1.659 20 10 CDCDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204771966 939789516 /nfs/dbraw/zinc/78/95/16/939789516.db2.gz RPGHQUZDTQZGHL-MRXNPFEDSA-N 2 2 275.396 1.446 20 10 CDCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204771966 939789518 /nfs/dbraw/zinc/78/95/18/939789518.db2.gz RPGHQUZDTQZGHL-MRXNPFEDSA-N 2 2 275.396 1.446 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205083089 939821111 /nfs/dbraw/zinc/82/11/11/939821111.db2.gz PEDJVHQTRNOODE-FZMZJTMJSA-N 3 2 291.395 1.186 20 10 CDCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205083089 939821114 /nfs/dbraw/zinc/82/11/14/939821114.db2.gz PEDJVHQTRNOODE-FZMZJTMJSA-N 3 2 291.395 1.186 20 10 CDCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235173049 944079048 /nfs/dbraw/zinc/07/90/48/944079048.db2.gz PGSFDYCTGNPJEF-XJKSGUPXSA-N 2 2 290.363 1.031 20 10 CDCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235173049 944079052 /nfs/dbraw/zinc/07/90/52/944079052.db2.gz PGSFDYCTGNPJEF-XJKSGUPXSA-N 2 2 290.363 1.031 20 10 CDCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988437 944352789 /nfs/dbraw/zinc/35/27/89/944352789.db2.gz HWTWHCWOTCHJLS-ABAIWWIYSA-N 2 2 278.352 1.333 20 10 CDCDLP COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988437 944352796 /nfs/dbraw/zinc/35/27/96/944352796.db2.gz HWTWHCWOTCHJLS-ABAIWWIYSA-N 2 2 278.352 1.333 20 10 CDCDLP C[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236042601 944388716 /nfs/dbraw/zinc/38/87/16/944388716.db2.gz RUCNQWHNOPLLSS-LBPRGKRZSA-N 2 2 250.342 1.549 20 10 CDCDLP C[N@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236042601 944388724 /nfs/dbraw/zinc/38/87/24/944388724.db2.gz RUCNQWHNOPLLSS-LBPRGKRZSA-N 2 2 250.342 1.549 20 10 CDCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272587351 365308945 /nfs/dbraw/zinc/30/89/45/365308945.db2.gz HHVLZHRCWVDHLO-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272587351 365308952 /nfs/dbraw/zinc/30/89/52/365308952.db2.gz HHVLZHRCWVDHLO-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272587351 365308959 /nfs/dbraw/zinc/30/89/59/365308959.db2.gz HHVLZHRCWVDHLO-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272587351 365308964 /nfs/dbraw/zinc/30/89/64/365308964.db2.gz HHVLZHRCWVDHLO-SWLSCSKDSA-N 2 2 276.380 1.927 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000226607672 333266010 /nfs/dbraw/zinc/26/60/10/333266010.db2.gz OOWAKBVNYSEMQF-KGLIPLIRSA-N 2 2 280.343 1.484 20 10 CDCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000226607672 333266011 /nfs/dbraw/zinc/26/60/11/333266011.db2.gz OOWAKBVNYSEMQF-KGLIPLIRSA-N 2 2 280.343 1.484 20 10 CDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043655 618677602 /nfs/dbraw/zinc/67/76/02/618677602.db2.gz URMHDHISNURBJE-HNNXBMFYSA-N 2 2 275.396 1.365 20 10 CDCDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841063976 618679301 /nfs/dbraw/zinc/67/93/01/618679301.db2.gz CYTJNBLIKSPARU-RHSMWYFYSA-N 2 2 289.423 1.753 20 10 CDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841046238 712039325 /nfs/dbraw/zinc/03/93/25/712039325.db2.gz YHWWJTOMGYWWJN-CJNGLKHVSA-N 2 2 277.412 1.769 20 10 CDCDLP COc1cc(C[NH+]2CC(C)(CO)C2)cc(C[NH+](C)C)c1O ZINC001139253488 936611731 /nfs/dbraw/zinc/61/17/31/936611731.db2.gz VSXNHNDVHUPLOW-UHFFFAOYSA-N 2 2 294.395 1.277 20 10 CDCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000843055705 937108839 /nfs/dbraw/zinc/10/88/39/937108839.db2.gz OGMLEMSCLXAHBX-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000843055705 937108841 /nfs/dbraw/zinc/10/88/41/937108841.db2.gz OGMLEMSCLXAHBX-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843353597 937141308 /nfs/dbraw/zinc/14/13/08/937141308.db2.gz LSBZDDDXXVZQCL-OTYXRUKQSA-N 2 2 280.343 1.903 20 10 CDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843353597 937141310 /nfs/dbraw/zinc/14/13/10/937141310.db2.gz LSBZDDDXXVZQCL-OTYXRUKQSA-N 2 2 280.343 1.903 20 10 CDCDLP COC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943288 930642074 /nfs/dbraw/zinc/64/20/74/930642074.db2.gz UAAQAAAWMZCITK-HZPDHXFCSA-N 2 2 277.412 1.767 20 10 CDCDLP CN1CCCc2cc(C[NH+]3CC(C)(C[NH3+])C3)ccc21 ZINC001206718268 939638828 /nfs/dbraw/zinc/63/88/28/939638828.db2.gz NQXAMPAWBJDHCU-UHFFFAOYSA-N 2 2 259.397 1.850 20 10 CDCDLP C[N@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001203874472 939707238 /nfs/dbraw/zinc/70/72/38/939707238.db2.gz ZINIFKZSVPQJSV-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP C[N@@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001203874472 939707240 /nfs/dbraw/zinc/70/72/40/939707240.db2.gz ZINIFKZSVPQJSV-UHFFFAOYSA-N 2 2 250.342 1.624 20 10 CDCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203883294 939711583 /nfs/dbraw/zinc/71/15/83/939711583.db2.gz HHBVQJDWRQIXFS-CHWSQXEVSA-N 2 2 262.353 1.481 20 10 CDCDLP Oc1ccc(F)c(F)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507096 941605565 /nfs/dbraw/zinc/60/55/65/941605565.db2.gz LMVORWVTJZXRHC-STQMWFEESA-N 2 2 297.349 1.196 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253192945 951789058 /nfs/dbraw/zinc/78/90/58/951789058.db2.gz CEGAHCJSKSWVPJ-CQSZACIVSA-N 2 2 278.396 1.453 20 10 CDCDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001253192945 951789061 /nfs/dbraw/zinc/78/90/61/951789061.db2.gz CEGAHCJSKSWVPJ-CQSZACIVSA-N 2 2 278.396 1.453 20 10 CDCDLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043438 618677777 /nfs/dbraw/zinc/67/77/77/618677777.db2.gz OINDHGAYQNXSMX-MRXNPFEDSA-N 2 2 287.411 1.882 20 10 CDCDLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045179 621589798 /nfs/dbraw/zinc/58/97/98/621589798.db2.gz JAVQCRHSFDYDCT-XJKSGUPXSA-N 2 2 287.411 1.627 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000809972079 1163131803 /nfs/dbraw/zinc/13/18/03/1163131803.db2.gz QHFBJHVEBPQARM-YPMHNXCESA-N 2 2 294.395 1.507 20 10 CDCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000809972079 1163131807 /nfs/dbraw/zinc/13/18/07/1163131807.db2.gz QHFBJHVEBPQARM-YPMHNXCESA-N 2 2 294.395 1.507 20 10 CDCDLP CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC000131416105 1175783636 /nfs/dbraw/zinc/78/36/36/1175783636.db2.gz ZGGZJZAPFGGNMT-OAHLLOKOSA-N 2 2 259.397 1.992 20 10 CDCDLP CN1CCCc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC000131416105 1175783641 /nfs/dbraw/zinc/78/36/41/1175783641.db2.gz ZGGZJZAPFGGNMT-OAHLLOKOSA-N 2 2 259.397 1.992 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000817966016 930653353 /nfs/dbraw/zinc/65/33/53/930653353.db2.gz ZEIGGCUPTBHOTR-ZANVPECISA-N 2 2 278.352 1.567 20 10 CDCDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1O ZINC000817983964 930657301 /nfs/dbraw/zinc/65/73/01/930657301.db2.gz SQCUOYNFBBJWSI-AAEUAGOBSA-N 2 2 268.332 1.560 20 10 CDCDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000817982540 930657894 /nfs/dbraw/zinc/65/78/94/930657894.db2.gz DZMQYRSDBGJOEE-WCQYABFASA-N 2 2 250.342 1.421 20 10 CDCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2c1c(F)ccc2O ZINC000817984166 930658425 /nfs/dbraw/zinc/65/84/25/930658425.db2.gz VQYLDTYLKMEVSN-CKYFFXLPSA-N 2 2 280.343 1.658 20 10 CDCDLP COc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1O ZINC000846138606 931985177 /nfs/dbraw/zinc/98/51/77/931985177.db2.gz WTGUEZXKSXHJGO-LLVKDONJSA-N 2 2 261.325 1.948 20 10 CDCDLP COc1c(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702191 932116113 /nfs/dbraw/zinc/11/61/13/932116113.db2.gz GGRBYYJHYJWBIK-MWLCHTKSSA-N 2 2 295.339 1.621 20 10 CDCDLP COc1c(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702191 932116117 /nfs/dbraw/zinc/11/61/17/932116117.db2.gz GGRBYYJHYJWBIK-MWLCHTKSSA-N 2 2 295.339 1.621 20 10 CDCDLP Nc1ccc(Nc2ccc([C@@H](C[NH3+])CO)cc2)[nH+]c1 ZINC001163049444 939185321 /nfs/dbraw/zinc/18/53/21/939185321.db2.gz ATSKTKJUYIKZFT-NSHDSACASA-N 2 2 258.325 1.442 20 10 CDCDLP COc1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1O ZINC001203599179 939695400 /nfs/dbraw/zinc/69/54/00/939695400.db2.gz BPGZBVJTSVMCSF-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1O ZINC001203599179 939695402 /nfs/dbraw/zinc/69/54/02/939695402.db2.gz BPGZBVJTSVMCSF-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1O ZINC001203599179 939695403 /nfs/dbraw/zinc/69/54/03/939695403.db2.gz BPGZBVJTSVMCSF-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP COc1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1O ZINC001203599179 939695405 /nfs/dbraw/zinc/69/54/05/939695405.db2.gz BPGZBVJTSVMCSF-OCCSQVGLSA-N 2 2 276.380 1.927 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001205725851 939927466 /nfs/dbraw/zinc/92/74/66/939927466.db2.gz MFRMUOULDLLYDU-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001205725851 939927469 /nfs/dbraw/zinc/92/74/69/939927469.db2.gz MFRMUOULDLLYDU-AWEZNQCLSA-N 2 2 286.322 1.346 20 10 CDCDLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205807390 939939084 /nfs/dbraw/zinc/93/90/84/939939084.db2.gz ZZNNRFKIIXBOKP-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205807390 939939087 /nfs/dbraw/zinc/93/90/87/939939087.db2.gz ZZNNRFKIIXBOKP-AAEUAGOBSA-N 2 2 264.369 1.960 20 10 CDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000273382190 365490950 /nfs/dbraw/zinc/49/09/50/365490950.db2.gz IOAAXIHIHLHZJW-WCQYABFASA-N 2 2 282.359 1.639 20 10 CDCDLP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000289325943 369544245 /nfs/dbraw/zinc/54/42/45/369544245.db2.gz HABVBELQOACRMW-CQSZACIVSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000289325943 369544248 /nfs/dbraw/zinc/54/42/48/369544248.db2.gz HABVBELQOACRMW-CQSZACIVSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289325943 369544249 /nfs/dbraw/zinc/54/42/49/369544249.db2.gz HABVBELQOACRMW-CQSZACIVSA-N 2 2 264.369 1.279 20 10 CDCDLP C[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289325943 369544252 /nfs/dbraw/zinc/54/42/52/369544252.db2.gz HABVBELQOACRMW-CQSZACIVSA-N 2 2 264.369 1.279 20 10 CDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000273378289 292014122 /nfs/dbraw/zinc/01/41/22/292014122.db2.gz HRPUQLLCJXQRFP-NSHDSACASA-N 2 2 280.368 1.781 20 10 CDCDLP CCC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071314833 176121305 /nfs/dbraw/zinc/12/13/05/176121305.db2.gz OVAIDFZMECXCAT-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP CCC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071314833 176121306 /nfs/dbraw/zinc/12/13/06/176121306.db2.gz OVAIDFZMECXCAT-ZDUSSCGKSA-N 2 2 264.369 1.975 20 10 CDCDLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc2c1OCC2 ZINC000252667603 334384535 /nfs/dbraw/zinc/38/45/35/334384535.db2.gz MFXPTDRNEQZZAP-HOTGVXAUSA-N 2 2 288.391 1.574 20 10 CDCDLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc2c1OCC2 ZINC000252667603 334384537 /nfs/dbraw/zinc/38/45/37/334384537.db2.gz MFXPTDRNEQZZAP-HOTGVXAUSA-N 2 2 288.391 1.574 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784874 576671433 /nfs/dbraw/zinc/67/14/33/576671433.db2.gz BEYUKHFKVFCBPG-XPTSAGLGSA-N 2 2 286.322 1.388 20 10 CDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)cc(F)c1O ZINC000762784874 576671434 /nfs/dbraw/zinc/67/14/34/576671434.db2.gz BEYUKHFKVFCBPG-XPTSAGLGSA-N 2 2 286.322 1.388 20 10 CDCDLP