smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000268887360 443137247 /nfs/dbraw/zinc/13/72/47/443137247.db2.gz ZEOXDTYZGWVDTO-SFHVURJKSA-N 2 2 348.491 1.274 20 10 EDCDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271186224 443494967 /nfs/dbraw/zinc/49/49/67/443494967.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 2 2 337.851 1.784 20 10 EDCDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271186224 443494971 /nfs/dbraw/zinc/49/49/71/443494971.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 2 2 337.851 1.784 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000754052175 579895010 /nfs/dbraw/zinc/89/50/10/579895010.db2.gz XMBYASDSPZRZIY-AOIWGVFYSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000754052175 579895011 /nfs/dbraw/zinc/89/50/11/579895011.db2.gz XMBYASDSPZRZIY-AOIWGVFYSA-N 2 2 347.503 1.908 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000762787443 580083186 /nfs/dbraw/zinc/08/31/86/580083186.db2.gz MNRMFESAJOQIBC-IINYFYTJSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000762787443 580083187 /nfs/dbraw/zinc/08/31/87/580083187.db2.gz MNRMFESAJOQIBC-IINYFYTJSA-N 2 2 329.238 1.872 20 10 EDCDLP CN(C)C(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775652840 580396410 /nfs/dbraw/zinc/39/64/10/580396410.db2.gz VZAMEPHQIHAOET-UHFFFAOYSA-N 2 2 345.491 1.238 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNc3nc(N)cc(C)[nH+]3)CC2)cc1 ZINC000892083401 590790507 /nfs/dbraw/zinc/79/05/07/590790507.db2.gz GWTFGGYWMNOECX-UHFFFAOYSA-N 2 2 342.447 1.610 20 10 EDCDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895687853 591249258 /nfs/dbraw/zinc/24/92/58/591249258.db2.gz CTRGIUGMPMCMHG-QGZVFWFLSA-N 2 2 337.439 1.418 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCNC(=O)O4)cc2)CC1 ZINC000897751754 591643237 /nfs/dbraw/zinc/64/32/37/591643237.db2.gz SURFUFXCMBXIDW-UHFFFAOYSA-N 2 2 330.432 1.123 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000815163881 593618769 /nfs/dbraw/zinc/61/87/69/593618769.db2.gz RWTGYYKLLOINNH-NUJGCVRESA-N 2 2 333.476 1.518 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000815163881 593618771 /nfs/dbraw/zinc/61/87/71/593618771.db2.gz RWTGYYKLLOINNH-NUJGCVRESA-N 2 2 333.476 1.518 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000844217434 595304699 /nfs/dbraw/zinc/30/46/99/595304699.db2.gz ILGMWUZIPSVAOB-UHFFFAOYSA-N 2 2 344.503 1.927 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000844217434 595304701 /nfs/dbraw/zinc/30/47/01/595304701.db2.gz ILGMWUZIPSVAOB-UHFFFAOYSA-N 2 2 344.503 1.927 20 10 EDCDLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000873147515 597211986 /nfs/dbraw/zinc/21/19/86/597211986.db2.gz WCGALPUVRGVQFE-KRWDZBQOSA-N 2 2 330.432 1.096 20 10 EDCDLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000873147515 597211991 /nfs/dbraw/zinc/21/19/91/597211991.db2.gz WCGALPUVRGVQFE-KRWDZBQOSA-N 2 2 330.432 1.096 20 10 EDCDLP COCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278878254 443471186 /nfs/dbraw/zinc/47/11/86/443471186.db2.gz NQOGZDFEUFGUHG-UHFFFAOYSA-N 2 2 339.392 1.509 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000273359342 443567173 /nfs/dbraw/zinc/56/71/73/443567173.db2.gz ADUAWFYOSJYAMK-ZIAGYGMSSA-N 2 2 336.432 1.798 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000891487749 591090819 /nfs/dbraw/zinc/09/08/19/591090819.db2.gz FSTPJVNJELEMHN-OKILXGFUSA-N 2 2 332.448 1.701 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911665155 592973657 /nfs/dbraw/zinc/97/36/57/592973657.db2.gz AKGRKTKHZNIIQB-YOEHRIQHSA-N 2 2 327.432 1.328 20 10 EDCDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146873 593264469 /nfs/dbraw/zinc/26/44/69/593264469.db2.gz YPEPNWDWLUPAES-BLLLJJGKSA-N 2 2 325.403 1.841 20 10 EDCDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146873 593264470 /nfs/dbraw/zinc/26/44/70/593264470.db2.gz YPEPNWDWLUPAES-BLLLJJGKSA-N 2 2 325.403 1.841 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000815163877 593618880 /nfs/dbraw/zinc/61/88/80/593618880.db2.gz RWTGYYKLLOINNH-BQFCYCMXSA-N 2 2 333.476 1.518 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000815163877 593618881 /nfs/dbraw/zinc/61/88/81/593618881.db2.gz RWTGYYKLLOINNH-BQFCYCMXSA-N 2 2 333.476 1.518 20 10 EDCDLP CN(C)c1ccc(/C=C/C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846012438 595121578 /nfs/dbraw/zinc/12/15/78/595121578.db2.gz AWIWQAGUQVRNDT-AATRIKPKSA-N 2 2 330.476 1.472 20 10 EDCDLP CN(C)c1ccc(/C=C/C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846012438 595121580 /nfs/dbraw/zinc/12/15/80/595121580.db2.gz AWIWQAGUQVRNDT-AATRIKPKSA-N 2 2 330.476 1.472 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000843118178 595291228 /nfs/dbraw/zinc/29/12/28/595291228.db2.gz BADUEQQGSDODGZ-UHFFFAOYSA-N 2 2 327.432 1.775 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852865333 595584959 /nfs/dbraw/zinc/58/49/59/595584959.db2.gz ZKRCOSAXVZEPPT-SJORKVTESA-N 2 2 333.432 1.144 20 10 EDCDLP Oc1cccc(Br)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000858106765 595701800 /nfs/dbraw/zinc/70/18/00/595701800.db2.gz QYDLEIXOGLBWSH-NSHDSACASA-N 2 2 329.238 1.701 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC(C)(C)F)CC2)cc1 ZINC000872217120 596839864 /nfs/dbraw/zinc/83/98/64/596839864.db2.gz NQHHBEWBILMSCR-MRXNPFEDSA-N 2 2 339.455 1.516 20 10 EDCDLP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)CC1 ZINC000882994181 597610499 /nfs/dbraw/zinc/61/04/99/597610499.db2.gz VOZYGHRMLWLTSJ-AWEZNQCLSA-N 2 2 325.403 1.929 20 10 EDCDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883371087 597725564 /nfs/dbraw/zinc/72/55/64/597725564.db2.gz YOSDZKRCIRXOQA-IRXDYDNUSA-N 2 2 333.476 1.839 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC(N)=O)CC2)cc1 ZINC000102560428 237043034 /nfs/dbraw/zinc/04/30/34/237043034.db2.gz ZHERSOQGTSYRLE-HNNXBMFYSA-N 2 2 334.464 1.061 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3C[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000754048488 579894759 /nfs/dbraw/zinc/89/47/59/579894759.db2.gz GDCHFDVNUMHVLI-LNLFQRSKSA-N 2 2 347.503 1.766 20 10 EDCDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775633240 580395735 /nfs/dbraw/zinc/39/57/35/580395735.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 3 2 346.519 1.327 20 10 EDCDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775633240 580395736 /nfs/dbraw/zinc/39/57/36/580395736.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 3 2 346.519 1.327 20 10 EDCDLP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(O)c1OC ZINC000895456207 591763271 /nfs/dbraw/zinc/76/32/71/591763271.db2.gz JWMKNSCRNQHRNL-HNNXBMFYSA-N 2 2 336.432 1.440 20 10 EDCDLP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(O)c1OC ZINC000895456207 591763272 /nfs/dbraw/zinc/76/32/72/591763272.db2.gz JWMKNSCRNQHRNL-HNNXBMFYSA-N 2 2 336.432 1.440 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817897417 593646618 /nfs/dbraw/zinc/64/66/18/593646618.db2.gz OMISIKXXBYUZQI-XLIONFOSSA-N 3 2 346.519 1.924 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841779250 594951152 /nfs/dbraw/zinc/95/11/52/594951152.db2.gz OOIVFQTVXPRYID-OAHLLOKOSA-N 2 2 346.475 1.963 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000854230798 596008708 /nfs/dbraw/zinc/00/87/08/596008708.db2.gz YYMIMCBAGPDIJS-PMACEKPBSA-N 2 2 345.487 1.504 20 10 EDCDLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000868290304 596769650 /nfs/dbraw/zinc/76/96/50/596769650.db2.gz LSKWEDCNZVQVRZ-CABCVRRESA-N 2 2 346.475 1.921 20 10 EDCDLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000868290304 596769652 /nfs/dbraw/zinc/76/96/52/596769652.db2.gz LSKWEDCNZVQVRZ-CABCVRRESA-N 2 2 346.475 1.921 20 10 EDCDLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000876506587 597224334 /nfs/dbraw/zinc/22/43/34/597224334.db2.gz MANUHCGHTDYDSK-WBVHZDCISA-N 2 2 341.459 1.636 20 10 EDCDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883371088 597725529 /nfs/dbraw/zinc/72/55/29/597725529.db2.gz YOSDZKRCIRXOQA-SJORKVTESA-N 2 2 333.476 1.839 20 10 EDCDLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1O ZINC000093821102 237024184 /nfs/dbraw/zinc/02/41/84/237024184.db2.gz PZHLWLCMFRWIMY-INIZCTEOSA-N 2 2 347.459 1.529 20 10 EDCDLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1O ZINC000093821102 237024192 /nfs/dbraw/zinc/02/41/92/237024192.db2.gz PZHLWLCMFRWIMY-INIZCTEOSA-N 2 2 347.459 1.529 20 10 EDCDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000359955406 201119339 /nfs/dbraw/zinc/11/93/39/201119339.db2.gz BRVXSGPYGNQBTG-HOCLYGCPSA-N 2 2 337.439 1.588 20 10 EDCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372416152 250219043 /nfs/dbraw/zinc/21/90/43/250219043.db2.gz MSHQCKXDBRRSOK-LJQANCHMSA-N 2 2 332.492 1.201 20 10 EDCDLP CN(C)c1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372416152 250219045 /nfs/dbraw/zinc/21/90/45/250219045.db2.gz MSHQCKXDBRRSOK-LJQANCHMSA-N 2 2 332.492 1.201 20 10 EDCDLP COCC[NH2+]CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000378208046 250298839 /nfs/dbraw/zinc/29/88/39/250298839.db2.gz FIPMGRNITULYMK-UHFFFAOYSA-N 2 2 335.448 1.358 20 10 EDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790178 580083378 /nfs/dbraw/zinc/08/33/78/580083378.db2.gz XWLDAFWFIDESFO-RDTXWAMCSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790178 580083379 /nfs/dbraw/zinc/08/33/79/580083379.db2.gz XWLDAFWFIDESFO-RDTXWAMCSA-N 2 2 337.439 1.380 20 10 EDCDLP COc1ccc(N2CCC([NH2+]CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000765417333 580141686 /nfs/dbraw/zinc/14/16/86/580141686.db2.gz QGROVEWZTJDTKX-UHFFFAOYSA-N 2 2 346.475 1.028 20 10 EDCDLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715486 580398346 /nfs/dbraw/zinc/39/83/46/580398346.db2.gz ZFAARJAKKYDSFY-SYJLOODJSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715486 580398347 /nfs/dbraw/zinc/39/83/47/580398347.db2.gz ZFAARJAKKYDSFY-SYJLOODJSA-N 2 2 335.517 1.780 20 10 EDCDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775834931 580402185 /nfs/dbraw/zinc/40/21/85/580402185.db2.gz WBNYEIIKCPZREQ-JKSUJKDBSA-N 2 2 332.492 1.956 20 10 EDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888638 593645476 /nfs/dbraw/zinc/64/54/76/593645476.db2.gz NWQDIOAHCBSASC-ZBFHGGJFSA-N 2 2 337.439 1.519 20 10 EDCDLP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817945281 593650965 /nfs/dbraw/zinc/65/09/65/593650965.db2.gz YTWKEZFFBSIESB-SNVBAGLBSA-N 2 2 346.244 1.850 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000834851113 595230525 /nfs/dbraw/zinc/23/05/25/595230525.db2.gz UTIVUMHCFPOOSM-DZGCQCFKSA-N 2 2 336.432 1.676 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000834851113 595230528 /nfs/dbraw/zinc/23/05/28/595230528.db2.gz UTIVUMHCFPOOSM-DZGCQCFKSA-N 2 2 336.432 1.676 20 10 EDCDLP Oc1c(Br)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125123 595293260 /nfs/dbraw/zinc/29/32/60/595293260.db2.gz WSWUFUVZDAVAMQ-ZDUSSCGKSA-N 2 2 340.265 1.634 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000844221448 595305908 /nfs/dbraw/zinc/30/59/08/595305908.db2.gz MXHZMFGVOVLXJF-JJTKIYQPSA-N 2 2 344.503 1.926 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000844221448 595305910 /nfs/dbraw/zinc/30/59/10/595305910.db2.gz MXHZMFGVOVLXJF-JJTKIYQPSA-N 2 2 344.503 1.926 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(F)c1O ZINC000361053105 250169759 /nfs/dbraw/zinc/16/97/59/250169759.db2.gz PYQDPYDZCXKAMA-GOEBONIOSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(F)c1O ZINC000361053105 250169762 /nfs/dbraw/zinc/16/97/62/250169762.db2.gz PYQDPYDZCXKAMA-GOEBONIOSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(F)c1O ZINC000361053105 250169764 /nfs/dbraw/zinc/16/97/64/250169764.db2.gz PYQDPYDZCXKAMA-GOEBONIOSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(F)c1O ZINC000361053105 250169767 /nfs/dbraw/zinc/16/97/67/250169767.db2.gz PYQDPYDZCXKAMA-GOEBONIOSA-N 2 2 337.439 1.368 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000069796766 442043202 /nfs/dbraw/zinc/04/32/02/442043202.db2.gz NTCCKQGKRCBCLM-AWEZNQCLSA-N 2 2 334.416 1.665 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000069796766 442043210 /nfs/dbraw/zinc/04/32/10/442043210.db2.gz NTCCKQGKRCBCLM-AWEZNQCLSA-N 2 2 334.416 1.665 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000079436706 442048846 /nfs/dbraw/zinc/04/88/46/442048846.db2.gz XKBHPBXVRCSUQN-KRWDZBQOSA-N 2 2 349.450 1.946 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000079436706 442048849 /nfs/dbraw/zinc/04/88/49/442048849.db2.gz XKBHPBXVRCSUQN-KRWDZBQOSA-N 2 2 349.450 1.946 20 10 EDCDLP C[NH+]1CCC(CNC(=O)c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000189444556 442955056 /nfs/dbraw/zinc/95/50/56/442955056.db2.gz FIGGPXYEEUOOIA-UHFFFAOYSA-N 2 2 347.459 1.778 20 10 EDCDLP C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775645904 580396026 /nfs/dbraw/zinc/39/60/26/580396026.db2.gz TWOUYTJTUHLYFL-UHFFFAOYSA-N 2 2 340.475 1.608 20 10 EDCDLP C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775645904 580396027 /nfs/dbraw/zinc/39/60/27/580396027.db2.gz TWOUYTJTUHLYFL-UHFFFAOYSA-N 2 2 340.475 1.608 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)NCc2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000892765280 591166901 /nfs/dbraw/zinc/16/69/01/591166901.db2.gz RUAGXLCDAREJGB-MRXNPFEDSA-N 2 2 344.463 1.588 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000905704346 592616793 /nfs/dbraw/zinc/61/67/93/592616793.db2.gz NGMNOJOJUQXNCI-SLFFLAALSA-N 2 2 349.519 1.857 20 10 EDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982368 593653375 /nfs/dbraw/zinc/65/33/75/593653375.db2.gz CUOXVIRPRBLLPO-UKRRQHHQSA-N 2 2 339.867 1.816 20 10 EDCDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819963 594957980 /nfs/dbraw/zinc/95/79/80/594957980.db2.gz HEIMBOYUANOSBO-KRWDZBQOSA-N 2 2 345.491 1.279 20 10 EDCDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819963 594957981 /nfs/dbraw/zinc/95/79/81/594957981.db2.gz HEIMBOYUANOSBO-KRWDZBQOSA-N 2 2 345.491 1.279 20 10 EDCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843063402 595277623 /nfs/dbraw/zinc/27/76/23/595277623.db2.gz AXEAECVFJWFJBS-GOSISDBHSA-N 2 2 330.476 1.457 20 10 EDCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843063402 595277625 /nfs/dbraw/zinc/27/76/25/595277625.db2.gz AXEAECVFJWFJBS-GOSISDBHSA-N 2 2 330.476 1.457 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000844162681 595287825 /nfs/dbraw/zinc/28/78/25/595287825.db2.gz LYULZDGBJBMAMS-KRWDZBQOSA-N 2 2 337.427 1.759 20 10 EDCDLP COc1cc(Br)cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843120425 595291818 /nfs/dbraw/zinc/29/18/18/595291818.db2.gz KGIFTDAFJOGAQU-LBPRGKRZSA-N 2 2 344.253 1.238 20 10 EDCDLP COc1cc(Br)cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843120425 595291820 /nfs/dbraw/zinc/29/18/20/595291820.db2.gz KGIFTDAFJOGAQU-LBPRGKRZSA-N 2 2 344.253 1.238 20 10 EDCDLP COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000854216935 596005551 /nfs/dbraw/zinc/00/55/51/596005551.db2.gz HLXXEIZFYGLBNT-SNRMKQJTSA-N 2 2 331.460 1.631 20 10 EDCDLP COc1cc(C)cc(C[NH+]2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000872638120 597003795 /nfs/dbraw/zinc/00/37/95/597003795.db2.gz YACLFAMFXSANJA-IAGOWNOFSA-N 3 2 335.492 1.880 20 10 EDCDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1O ZINC000877665125 597546004 /nfs/dbraw/zinc/54/60/04/597546004.db2.gz IDCHIILTSPDIPV-ZDUSSCGKSA-N 2 2 328.840 1.989 20 10 EDCDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1O ZINC000877665125 597546005 /nfs/dbraw/zinc/54/60/05/597546005.db2.gz IDCHIILTSPDIPV-ZDUSSCGKSA-N 2 2 328.840 1.989 20 10 EDCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000279983308 443652855 /nfs/dbraw/zinc/65/28/55/443652855.db2.gz REQMSAXPUUNRLX-GJZGRUSLSA-N 2 2 348.422 1.837 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000778188143 580458247 /nfs/dbraw/zinc/45/82/47/580458247.db2.gz RZLBOCYXUWAAHH-KRWDZBQOSA-N 3 2 325.460 1.740 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051386 579895031 /nfs/dbraw/zinc/89/50/31/579895031.db2.gz UEKSJZCEANYSKN-AEFFLSMTSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051386 579895032 /nfs/dbraw/zinc/89/50/32/579895032.db2.gz UEKSJZCEANYSKN-AEFFLSMTSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000779217438 580481372 /nfs/dbraw/zinc/48/13/72/580481372.db2.gz HLCAQVYSESIQLL-HKUYNNGSSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000779217438 580481373 /nfs/dbraw/zinc/48/13/73/580481373.db2.gz HLCAQVYSESIQLL-HKUYNNGSSA-N 2 2 347.503 1.910 20 10 EDCDLP CN(C)c1ccc(C[N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)cc1 ZINC000783976827 580609811 /nfs/dbraw/zinc/60/98/11/580609811.db2.gz WCQIZFLQOZNSPO-MRXNPFEDSA-N 2 2 341.459 1.892 20 10 EDCDLP CN(C)c1ccc(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)cc1 ZINC000783976827 580609812 /nfs/dbraw/zinc/60/98/12/580609812.db2.gz WCQIZFLQOZNSPO-MRXNPFEDSA-N 2 2 341.459 1.892 20 10 EDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517386 592009121 /nfs/dbraw/zinc/00/91/21/592009121.db2.gz LJGLEOHHSPEUIT-SUMDDJOVSA-N 2 2 334.508 1.712 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)[NH+](C)C)cc1 ZINC000902516809 592009557 /nfs/dbraw/zinc/00/95/57/592009557.db2.gz GXMQFQKWJGACSL-SQIBXOBRSA-N 3 2 346.519 1.697 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484859 592177666 /nfs/dbraw/zinc/17/76/66/592177666.db2.gz XDNZIJRRMSZKDF-QGZVFWFLSA-N 2 2 330.476 1.633 20 10 EDCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1O ZINC000824584272 594042716 /nfs/dbraw/zinc/04/27/16/594042716.db2.gz ZWWBOMIWOWVVQU-AWEZNQCLSA-N 2 2 328.840 1.991 20 10 EDCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1O ZINC000824584272 594042718 /nfs/dbraw/zinc/04/27/18/594042718.db2.gz ZWWBOMIWOWVVQU-AWEZNQCLSA-N 2 2 328.840 1.991 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841778480 594950452 /nfs/dbraw/zinc/95/04/52/594950452.db2.gz BWUZALYJNNTQHF-UHFFFAOYSA-N 2 2 332.448 1.715 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000834851118 595230283 /nfs/dbraw/zinc/23/02/83/595230283.db2.gz UTIVUMHCFPOOSM-ZFWWWQNUSA-N 2 2 336.432 1.676 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000834851118 595230285 /nfs/dbraw/zinc/23/02/85/595230285.db2.gz UTIVUMHCFPOOSM-ZFWWWQNUSA-N 2 2 336.432 1.676 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000844221880 595306971 /nfs/dbraw/zinc/30/69/71/595306971.db2.gz XLKIOOPEIYQGHY-IEBWSBKVSA-N 2 2 344.503 1.833 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000844221880 595306973 /nfs/dbraw/zinc/30/69/73/595306973.db2.gz XLKIOOPEIYQGHY-IEBWSBKVSA-N 2 2 344.503 1.833 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000844224632 595308628 /nfs/dbraw/zinc/30/86/28/595308628.db2.gz RYFBTTYWYFSNPE-IBGZPJMESA-N 2 2 330.476 1.444 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000844224632 595308630 /nfs/dbraw/zinc/30/86/30/595308630.db2.gz RYFBTTYWYFSNPE-IBGZPJMESA-N 2 2 330.476 1.444 20 10 EDCDLP C[C@H](C[NH2+]Cc1c(O)cccc1Br)N1CC[NH+](C)CC1 ZINC000858126941 595706617 /nfs/dbraw/zinc/70/66/17/595706617.db2.gz NZDBVGWORBJKQN-GFCCVEGCSA-N 2 2 342.281 1.880 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000264810944 443435360 /nfs/dbraw/zinc/43/53/60/443435360.db2.gz CCRTXLWYATZROE-SFHVURJKSA-N 2 2 346.475 1.028 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000264810944 443435361 /nfs/dbraw/zinc/43/53/61/443435361.db2.gz CCRTXLWYATZROE-SFHVURJKSA-N 2 2 346.475 1.028 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000273413750 443571470 /nfs/dbraw/zinc/57/14/70/443571470.db2.gz QGLIZWFLYSKQQT-ZDUSSCGKSA-N 2 2 336.432 1.676 20 10 EDCDLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)CC1 ZINC000371424644 446847737 /nfs/dbraw/zinc/84/77/37/446847737.db2.gz IJWRCHSFBXOMSU-HNNXBMFYSA-N 2 2 339.867 1.494 20 10 EDCDLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)CC1 ZINC000371424644 446847741 /nfs/dbraw/zinc/84/77/41/446847741.db2.gz IJWRCHSFBXOMSU-HNNXBMFYSA-N 2 2 339.867 1.494 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3C4CCC3CC4)CC2)cc1 ZINC000754008289 579893768 /nfs/dbraw/zinc/89/37/68/579893768.db2.gz FQKHANLLVMOQKS-ACBHZAAOSA-N 2 2 345.487 1.805 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000756552331 579952337 /nfs/dbraw/zinc/95/23/37/579952337.db2.gz ZUHJGXDKWCRRAM-NWANDNLSSA-N 2 2 334.416 1.693 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000756552331 579952338 /nfs/dbraw/zinc/95/23/38/579952338.db2.gz ZUHJGXDKWCRRAM-NWANDNLSSA-N 2 2 334.416 1.693 20 10 EDCDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000806134989 590787833 /nfs/dbraw/zinc/78/78/33/590787833.db2.gz PEDFBWPPSGPKPM-AWEZNQCLSA-N 2 2 325.840 1.860 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)NCc2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000892765279 591166735 /nfs/dbraw/zinc/16/67/35/591166735.db2.gz RUAGXLCDAREJGB-INIZCTEOSA-N 2 2 344.463 1.588 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917979 592390116 /nfs/dbraw/zinc/39/01/16/592390116.db2.gz PMKAGRLCIGQFGD-WMZOPIPTSA-N 3 2 343.479 1.058 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934901 593650304 /nfs/dbraw/zinc/65/03/04/593650304.db2.gz LALDZUKANKGLKY-WBMJQRKESA-N 2 2 325.403 1.889 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000841044234 594843579 /nfs/dbraw/zinc/84/35/79/594843579.db2.gz UODBEOPKCDQOOS-SFHVURJKSA-N 2 2 340.475 1.932 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000841779001 594950531 /nfs/dbraw/zinc/95/05/31/594950531.db2.gz KEAPNPKBLAQKRG-AWEZNQCLSA-N 2 2 332.448 1.654 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000841779135 594951125 /nfs/dbraw/zinc/95/11/25/594951125.db2.gz LJWJGABGTKPEBC-KDOFPFPSSA-N 2 2 344.459 1.667 20 10 EDCDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C ZINC000850058484 595730367 /nfs/dbraw/zinc/73/03/67/595730367.db2.gz DAAKGUWTHKEHOT-INIZCTEOSA-N 2 2 341.459 1.720 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858224327 595735734 /nfs/dbraw/zinc/73/57/34/595735734.db2.gz BTWWWLBKWSUPHO-LBPRGKRZSA-N 2 2 329.803 1.614 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858224327 595735737 /nfs/dbraw/zinc/73/57/37/595735737.db2.gz BTWWWLBKWSUPHO-LBPRGKRZSA-N 2 2 329.803 1.614 20 10 EDCDLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1Cn1cccn1 ZINC000873094442 597190815 /nfs/dbraw/zinc/19/08/15/597190815.db2.gz IUNSRRWITOPUMC-GOSISDBHSA-N 2 2 332.448 1.342 20 10 EDCDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000373434278 250238241 /nfs/dbraw/zinc/23/82/41/250238241.db2.gz CDKBHNRKWSFHHQ-QGZVFWFLSA-N 2 2 333.432 1.111 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1O ZINC000378436734 447427922 /nfs/dbraw/zinc/42/79/22/447427922.db2.gz DBNDUSKVAANUHR-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1O ZINC000378436734 447427930 /nfs/dbraw/zinc/42/79/30/447427930.db2.gz DBNDUSKVAANUHR-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000378436734 447427936 /nfs/dbraw/zinc/42/79/36/447427936.db2.gz DBNDUSKVAANUHR-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000378436734 447427941 /nfs/dbraw/zinc/42/79/41/447427941.db2.gz DBNDUSKVAANUHR-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP C[C@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000160379677 441875176 /nfs/dbraw/zinc/87/51/76/441875176.db2.gz OTWBEODKFMHKTR-HNNXBMFYSA-N 2 2 332.492 1.956 20 10 EDCDLP COc1cccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1O ZINC000367880710 446603226 /nfs/dbraw/zinc/60/32/26/446603226.db2.gz VJXDJHFKJOTAIO-UHFFFAOYSA-N 2 2 333.432 1.139 20 10 EDCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756548114 579952186 /nfs/dbraw/zinc/95/21/86/579952186.db2.gz IMXFLAZYPDXVKL-NWDGAFQWSA-N 2 2 341.402 1.908 20 10 EDCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756548114 579952187 /nfs/dbraw/zinc/95/21/87/579952187.db2.gz IMXFLAZYPDXVKL-NWDGAFQWSA-N 2 2 341.402 1.908 20 10 EDCDLP COCCN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775645017 580396092 /nfs/dbraw/zinc/39/60/92/580396092.db2.gz AXMCLNWJMTVUOF-UHFFFAOYSA-N 2 2 332.492 1.202 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH+]3CC(C(C)C)C3)CC2)cc1 ZINC000795542766 580928044 /nfs/dbraw/zinc/92/80/44/580928044.db2.gz AJQMCGOYFFSIDV-LJQANCHMSA-N 2 2 347.503 1.766 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCC[C@H]3C)CC2)cc1 ZINC000800392749 581052161 /nfs/dbraw/zinc/05/21/61/581052161.db2.gz YTYAQHMVSURSNR-POAQFYNOSA-N 2 2 347.503 1.956 20 10 EDCDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000894015129 591170706 /nfs/dbraw/zinc/17/07/06/591170706.db2.gz ZEDPWXKPXFHYBQ-HNNXBMFYSA-N 2 2 325.403 1.882 20 10 EDCDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000894015129 591170707 /nfs/dbraw/zinc/17/07/07/591170707.db2.gz ZEDPWXKPXFHYBQ-HNNXBMFYSA-N 2 2 325.403 1.882 20 10 EDCDLP COc1cc(C)cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000894255190 591250276 /nfs/dbraw/zinc/25/02/76/591250276.db2.gz BMODOHQKOAFYCB-KRWDZBQOSA-N 2 2 349.475 1.205 20 10 EDCDLP CCc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000895684819 591252491 /nfs/dbraw/zinc/25/24/91/591252491.db2.gz HBEIKMFKIVEYLJ-LJQANCHMSA-N 2 2 347.503 1.841 20 10 EDCDLP Cn1c[nH+]c(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000896444186 591468064 /nfs/dbraw/zinc/46/80/64/591468064.db2.gz HJRCVLUXJRUSMZ-UHFFFAOYSA-N 2 2 342.447 1.171 20 10 EDCDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@]2(C)C1 ZINC000897621791 591591712 /nfs/dbraw/zinc/59/17/12/591591712.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 3 2 328.504 1.822 20 10 EDCDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@]2(C)C1 ZINC000897621791 591591718 /nfs/dbraw/zinc/59/17/18/591591718.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 3 2 328.504 1.822 20 10 EDCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519461 592009757 /nfs/dbraw/zinc/00/97/57/592009757.db2.gz ZNXANWYBOYGACZ-FGTMMUONSA-N 2 2 348.491 1.239 20 10 EDCDLP CC[C@@H](NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817895189 593646404 /nfs/dbraw/zinc/64/64/04/593646404.db2.gz SBZZIEAOAXAKQS-UXHICEINSA-N 2 2 346.519 1.937 20 10 EDCDLP Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000840919216 594827918 /nfs/dbraw/zinc/82/79/18/594827918.db2.gz YGRABDYZBHYOCS-IBGZPJMESA-N 2 2 344.503 1.799 20 10 EDCDLP Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000840919216 594827920 /nfs/dbraw/zinc/82/79/20/594827920.db2.gz YGRABDYZBHYOCS-IBGZPJMESA-N 2 2 344.503 1.799 20 10 EDCDLP CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852912914 595612029 /nfs/dbraw/zinc/61/20/29/595612029.db2.gz HXFCMVONYPQUMV-GOSISDBHSA-N 2 2 330.476 1.438 20 10 EDCDLP CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852912914 595612032 /nfs/dbraw/zinc/61/20/32/595612032.db2.gz HXFCMVONYPQUMV-GOSISDBHSA-N 2 2 330.476 1.438 20 10 EDCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(F)c1O ZINC000858469260 595804099 /nfs/dbraw/zinc/80/40/99/595804099.db2.gz RVVPERBUAKPBSG-HZMBPMFUSA-N 2 2 327.375 1.661 20 10 EDCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(F)c1O ZINC000858469260 595804102 /nfs/dbraw/zinc/80/41/02/595804102.db2.gz RVVPERBUAKPBSG-HZMBPMFUSA-N 2 2 327.375 1.661 20 10 EDCDLP CCn1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000877011457 597410997 /nfs/dbraw/zinc/41/09/97/597410997.db2.gz COVYQLRJDJHFPG-UHFFFAOYSA-N 2 2 346.454 1.869 20 10 EDCDLP CCOc1ccc(O)c(C[NH+]2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877669291 597546341 /nfs/dbraw/zinc/54/63/41/597546341.db2.gz BUOXZYQIZJGXIQ-IAGOWNOFSA-N 3 2 335.492 1.962 20 10 EDCDLP COc1cccc(O)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371823 597726274 /nfs/dbraw/zinc/72/62/74/597726274.db2.gz BBUADZUHQZJXBR-INIZCTEOSA-N 2 2 349.475 1.287 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000089926310 441596401 /nfs/dbraw/zinc/59/64/01/441596401.db2.gz VGCXJQPJKPFFBU-UHFFFAOYSA-N 2 2 332.379 1.790 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193643805 442763086 /nfs/dbraw/zinc/76/30/86/442763086.db2.gz PUZAOTGRDNLQSW-CALCHBBNSA-N 2 2 330.476 1.204 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193643805 442763088 /nfs/dbraw/zinc/76/30/88/442763088.db2.gz PUZAOTGRDNLQSW-CALCHBBNSA-N 2 2 330.476 1.204 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193643805 442763089 /nfs/dbraw/zinc/76/30/89/442763089.db2.gz PUZAOTGRDNLQSW-CALCHBBNSA-N 2 2 330.476 1.204 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193643805 442763091 /nfs/dbraw/zinc/76/30/91/442763091.db2.gz PUZAOTGRDNLQSW-CALCHBBNSA-N 2 2 330.476 1.204 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1F ZINC000271192637 443494639 /nfs/dbraw/zinc/49/46/39/443494639.db2.gz QWGALTBRXZAFSZ-GOSISDBHSA-N 2 2 348.466 1.630 20 10 EDCDLP CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369452186 446122630 /nfs/dbraw/zinc/12/26/30/446122630.db2.gz NNXZDDQAJLXUAC-GOSISDBHSA-N 2 2 349.475 1.239 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000365834175 446361284 /nfs/dbraw/zinc/36/12/84/446361284.db2.gz BEHGSEZVHXVBFI-GOSISDBHSA-N 2 2 330.476 1.667 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000365834175 446361290 /nfs/dbraw/zinc/36/12/90/446361290.db2.gz BEHGSEZVHXVBFI-GOSISDBHSA-N 2 2 330.476 1.667 20 10 EDCDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422012 446845359 /nfs/dbraw/zinc/84/53/59/446845359.db2.gz CQBPJLXHCHURDH-GOSISDBHSA-N 2 2 349.475 1.239 20 10 EDCDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422012 446845362 /nfs/dbraw/zinc/84/53/62/446845362.db2.gz CQBPJLXHCHURDH-GOSISDBHSA-N 2 2 349.475 1.239 20 10 EDCDLP COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775701713 580397742 /nfs/dbraw/zinc/39/77/42/580397742.db2.gz WCUSPRSYNPXNAR-GOSISDBHSA-N 2 2 347.459 1.202 20 10 EDCDLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775701713 580397743 /nfs/dbraw/zinc/39/77/43/580397743.db2.gz WCUSPRSYNPXNAR-GOSISDBHSA-N 2 2 347.459 1.202 20 10 EDCDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000894015130 591171289 /nfs/dbraw/zinc/17/12/89/591171289.db2.gz ZEDPWXKPXFHYBQ-OAHLLOKOSA-N 2 2 325.403 1.882 20 10 EDCDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000894015130 591171291 /nfs/dbraw/zinc/17/12/91/591171291.db2.gz ZEDPWXKPXFHYBQ-OAHLLOKOSA-N 2 2 325.403 1.882 20 10 EDCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814181167 593577927 /nfs/dbraw/zinc/57/79/27/593577927.db2.gz XAGCFAIRXQGOMV-QGZVFWFLSA-N 2 2 331.460 1.964 20 10 EDCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814181167 593577928 /nfs/dbraw/zinc/57/79/28/593577928.db2.gz XAGCFAIRXQGOMV-QGZVFWFLSA-N 2 2 331.460 1.964 20 10 EDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817893344 593646058 /nfs/dbraw/zinc/64/60/58/593646058.db2.gz YKAZOKZYJQRWIP-NUJGCVRESA-N 2 2 333.476 1.941 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895652 593646424 /nfs/dbraw/zinc/64/64/24/593646424.db2.gz WOYYTWRTQUZEJD-LPHOPBHVSA-N 2 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895652 593646426 /nfs/dbraw/zinc/64/64/26/593646426.db2.gz WOYYTWRTQUZEJD-LPHOPBHVSA-N 2 2 332.492 1.405 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843357144 595086500 /nfs/dbraw/zinc/08/65/00/595086500.db2.gz DVJPSWIMQHNHIO-KRWDZBQOSA-N 2 2 344.434 1.948 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843357144 595086505 /nfs/dbraw/zinc/08/65/05/595086505.db2.gz DVJPSWIMQHNHIO-KRWDZBQOSA-N 2 2 344.434 1.948 20 10 EDCDLP Cc1ccc(O)c(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000875428457 597424443 /nfs/dbraw/zinc/42/44/43/597424443.db2.gz IXJPCLDQGLQXSU-UHFFFAOYSA-N 2 2 334.464 1.526 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492171 250187069 /nfs/dbraw/zinc/18/70/69/250187069.db2.gz LYPCFMHCAAJFEL-CHWSQXEVSA-N 2 2 337.376 1.262 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492171 250187075 /nfs/dbraw/zinc/18/70/75/250187075.db2.gz LYPCFMHCAAJFEL-CHWSQXEVSA-N 2 2 337.376 1.262 20 10 EDCDLP COC(=O)c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894097158 591192931 /nfs/dbraw/zinc/19/29/31/591192931.db2.gz DAOGEGIXGYNFJX-VXGBXAGGSA-N 2 2 331.391 1.755 20 10 EDCDLP C[NH+]1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839146513 593264546 /nfs/dbraw/zinc/26/45/46/593264546.db2.gz KLTZEYIWTUFERV-UHFFFAOYSA-N 2 2 325.403 1.985 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895654 593646296 /nfs/dbraw/zinc/64/62/96/593646296.db2.gz WOYYTWRTQUZEJD-QFBILLFUSA-N 2 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895654 593646298 /nfs/dbraw/zinc/64/62/98/593646298.db2.gz WOYYTWRTQUZEJD-QFBILLFUSA-N 2 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897893 593646958 /nfs/dbraw/zinc/64/69/58/593646958.db2.gz XMRUDEBHGKHHRL-MRXNPFEDSA-N 3 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CCCC3CC3)CC2)cc1 ZINC000819086987 593738284 /nfs/dbraw/zinc/73/82/84/593738284.db2.gz AJLCABVXGITKTM-IBGZPJMESA-N 2 2 347.503 1.958 20 10 EDCDLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843047929 595272662 /nfs/dbraw/zinc/27/26/62/595272662.db2.gz CAHZPBZYDPPNCT-JTQLQIEISA-N 2 2 329.803 1.472 20 10 EDCDLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843047929 595272666 /nfs/dbraw/zinc/27/26/66/595272666.db2.gz CAHZPBZYDPPNCT-JTQLQIEISA-N 2 2 329.803 1.472 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664462 237026902 /nfs/dbraw/zinc/02/69/02/237026902.db2.gz GNZSCFJUNLQHSK-IBGZPJMESA-N 2 2 345.487 1.677 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664462 237026912 /nfs/dbraw/zinc/02/69/12/237026912.db2.gz GNZSCFJUNLQHSK-IBGZPJMESA-N 2 2 345.487 1.677 20 10 EDCDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000363704629 445871277 /nfs/dbraw/zinc/87/12/77/445871277.db2.gz HQYASNGZPPHQRZ-AEFFLSMTSA-N 2 2 333.476 1.839 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC3(C)C)CC2)cc1 ZINC000754066928 579895384 /nfs/dbraw/zinc/89/53/84/579895384.db2.gz NBLDDAWLXRTPRN-QGZVFWFLSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC3(C)C)CC2)cc1 ZINC000754066928 579895385 /nfs/dbraw/zinc/89/53/85/579895385.db2.gz NBLDDAWLXRTPRN-QGZVFWFLSA-N 2 2 333.476 1.662 20 10 EDCDLP CN(C)c1noc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000789555595 580749290 /nfs/dbraw/zinc/74/92/90/580749290.db2.gz LWSONNWKXIGOMH-UHFFFAOYSA-N 2 2 330.436 1.177 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000800392750 581052176 /nfs/dbraw/zinc/05/21/76/581052176.db2.gz YTYAQHMVSURSNR-YVWKXTFCSA-N 2 2 347.503 1.956 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000891487313 591089785 /nfs/dbraw/zinc/08/97/85/591089785.db2.gz CNRJDILXLKPQHV-KGLIPLIRSA-N 2 2 332.448 1.795 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3CC(C4CC4)C3)CC2)cc1 ZINC000812312752 593495788 /nfs/dbraw/zinc/49/57/88/593495788.db2.gz FTUMBKXAFMPYIU-IBGZPJMESA-N 2 2 345.487 1.520 20 10 EDCDLP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000827118331 594643996 /nfs/dbraw/zinc/64/39/96/594643996.db2.gz CAQFLLSHTHHHHK-FQEVSTJZSA-N 2 2 344.503 1.345 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@H]4CCOC4)CC3)cc2)CC1 ZINC000827118331 594643998 /nfs/dbraw/zinc/64/39/98/594643998.db2.gz CAQFLLSHTHHHHK-FQEVSTJZSA-N 2 2 344.503 1.345 20 10 EDCDLP COCC[NH2+]CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841047538 594844246 /nfs/dbraw/zinc/84/42/46/594844246.db2.gz DSIVCPDTTHPENU-UHFFFAOYSA-N 2 2 336.436 1.911 20 10 EDCDLP CCn1nncc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000841861930 594967357 /nfs/dbraw/zinc/96/73/57/594967357.db2.gz RAEVCCJRYSVMIY-UHFFFAOYSA-N 2 2 346.454 1.869 20 10 EDCDLP COc1cc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000843119618 595291392 /nfs/dbraw/zinc/29/13/92/595291392.db2.gz VUUJVNQZJFIXJO-LJQANCHMSA-N 2 2 349.475 1.834 20 10 EDCDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000857304939 596209722 /nfs/dbraw/zinc/20/97/22/596209722.db2.gz VLEJIUVGEAAVOT-NSHDSACASA-N 2 2 327.400 1.239 20 10 EDCDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000857304939 596209724 /nfs/dbraw/zinc/20/97/24/596209724.db2.gz VLEJIUVGEAAVOT-NSHDSACASA-N 2 2 327.400 1.239 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC000872250272 596853352 /nfs/dbraw/zinc/85/33/52/596853352.db2.gz HIEMFVQXVVOSBI-HKUYNNGSSA-N 2 2 345.487 1.710 20 10 EDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1C ZINC000883372044 597726342 /nfs/dbraw/zinc/72/63/42/597726342.db2.gz JVGBQMZYFCMXAR-LJQANCHMSA-N 2 2 347.503 1.895 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000180032847 698526467 /nfs/dbraw/zinc/52/64/67/698526467.db2.gz JPYIKQBFOHXUMU-UHFFFAOYSA-N 2 2 333.432 1.141 20 10 EDCDLP COc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219808 /nfs/dbraw/zinc/21/98/08/250219808.db2.gz ZSHDFPLDGXZGKP-NVXWUHKLSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219811 /nfs/dbraw/zinc/21/98/11/250219811.db2.gz ZSHDFPLDGXZGKP-NVXWUHKLSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219813 /nfs/dbraw/zinc/21/98/13/250219813.db2.gz ZSHDFPLDGXZGKP-NVXWUHKLSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219816 /nfs/dbraw/zinc/21/98/16/250219816.db2.gz ZSHDFPLDGXZGKP-NVXWUHKLSA-N 2 2 349.475 1.238 20 10 EDCDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103991 579943558 /nfs/dbraw/zinc/94/35/58/579943558.db2.gz XRUFCIJKCVOCDI-KYJSFNMBSA-N 2 2 330.476 1.428 20 10 EDCDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103991 579943559 /nfs/dbraw/zinc/94/35/59/579943559.db2.gz XRUFCIJKCVOCDI-KYJSFNMBSA-N 2 2 330.476 1.428 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073607 579997949 /nfs/dbraw/zinc/99/79/49/579997949.db2.gz YZXPJVCOVFRUPC-UYAOXDASSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073607 579997950 /nfs/dbraw/zinc/99/79/50/579997950.db2.gz YZXPJVCOVFRUPC-UYAOXDASSA-N 2 2 347.503 1.908 20 10 EDCDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1C ZINC000840884662 594823649 /nfs/dbraw/zinc/82/36/49/594823649.db2.gz PCYBGLFOSACEHX-UHFFFAOYSA-N 2 2 329.448 1.613 20 10 EDCDLP COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840957692 594832888 /nfs/dbraw/zinc/83/28/88/594832888.db2.gz MEUZKWQDCQDJSS-SFHVURJKSA-N 2 2 331.460 1.870 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000877429562 597514193 /nfs/dbraw/zinc/51/41/93/597514193.db2.gz KKRBTOZDIJOSSC-MRXNPFEDSA-N 2 2 326.444 1.949 20 10 EDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000264215683 443255794 /nfs/dbraw/zinc/25/57/94/443255794.db2.gz NUGRUUICXJDGSX-UHFFFAOYSA-N 2 2 349.431 1.107 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1F ZINC000271192638 443495112 /nfs/dbraw/zinc/49/51/12/443495112.db2.gz QWGALTBRXZAFSZ-SFHVURJKSA-N 2 2 348.466 1.630 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292923644 443879984 /nfs/dbraw/zinc/87/99/84/443879984.db2.gz ILLJYRHMYKHQTH-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292923644 443879988 /nfs/dbraw/zinc/87/99/88/443879988.db2.gz ILLJYRHMYKHQTH-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292923644 443879991 /nfs/dbraw/zinc/87/99/91/443879991.db2.gz ILLJYRHMYKHQTH-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292923644 443879993 /nfs/dbraw/zinc/87/99/93/443879993.db2.gz ILLJYRHMYKHQTH-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297972328 444372892 /nfs/dbraw/zinc/37/28/92/444372892.db2.gz ZXAOYQMQHZXHSW-JKSUJKDBSA-N 2 2 331.460 1.912 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC=CCC3)CC2)cc1 ZINC000754260633 579899778 /nfs/dbraw/zinc/89/97/78/579899778.db2.gz CDYPFQUBHYYPLI-SFHVURJKSA-N 2 2 331.460 1.440 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC=CCC3)CC2)cc1 ZINC000754260633 579899779 /nfs/dbraw/zinc/89/97/79/579899779.db2.gz CDYPFQUBHYYPLI-SFHVURJKSA-N 2 2 331.460 1.440 20 10 EDCDLP COCC[N@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699901 580397672 /nfs/dbraw/zinc/39/76/72/580397672.db2.gz JMHBSKMJDJUSGV-UHFFFAOYSA-N 2 2 335.448 1.060 20 10 EDCDLP COCC[N@@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699901 580397673 /nfs/dbraw/zinc/39/76/73/580397673.db2.gz JMHBSKMJDJUSGV-UHFFFAOYSA-N 2 2 335.448 1.060 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C/C=C\Cl)CC2)cc1 ZINC000905708687 592618997 /nfs/dbraw/zinc/61/89/97/592618997.db2.gz RPXXBOAUMSUIGA-AKDFZNLCSA-N 2 2 339.867 1.520 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817892458 593646091 /nfs/dbraw/zinc/64/60/91/593646091.db2.gz AEGASODEPWMWSR-APWZRJJASA-N 2 2 332.492 1.547 20 10 EDCDLP COc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147111 595156651 /nfs/dbraw/zinc/15/66/51/595156651.db2.gz TUINKLRVJNANAX-GOEBONIOSA-N 2 2 349.475 1.994 20 10 EDCDLP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147111 595156654 /nfs/dbraw/zinc/15/66/54/595156654.db2.gz TUINKLRVJNANAX-GOEBONIOSA-N 2 2 349.475 1.994 20 10 EDCDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1C ZINC000850134725 595750053 /nfs/dbraw/zinc/75/00/53/595750053.db2.gz DFJGMFGZULSUTN-UHFFFAOYSA-N 2 2 348.472 1.253 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882985061 597607029 /nfs/dbraw/zinc/60/70/29/597607029.db2.gz FMCJZXXZDXKFIG-LLVKDONJSA-N 2 2 327.375 1.347 20 10 EDCDLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1C ZINC000939400502 699549679 /nfs/dbraw/zinc/54/96/79/699549679.db2.gz OMYHVMFXIHMLNS-HOCLYGCPSA-N 2 2 342.443 1.906 20 10 EDCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160294663 441871420 /nfs/dbraw/zinc/87/14/20/441871420.db2.gz OBSHHUCQHDTDMV-AWEZNQCLSA-N 2 2 336.432 1.564 20 10 EDCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160294663 441871423 /nfs/dbraw/zinc/87/14/23/441871423.db2.gz OBSHHUCQHDTDMV-AWEZNQCLSA-N 2 2 336.432 1.564 20 10 EDCDLP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817894031 593646362 /nfs/dbraw/zinc/64/63/62/593646362.db2.gz WXDMWEZYPMDNPG-WMLDXEAASA-N 2 2 337.489 1.152 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3CC3(C)C)CC2)cc1 ZINC000819060085 593736597 /nfs/dbraw/zinc/73/65/97/593736597.db2.gz MYVXFWJTCNMDPP-AEFFLSMTSA-N 2 2 347.503 1.814 20 10 EDCDLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559055 594038371 /nfs/dbraw/zinc/03/83/71/594038371.db2.gz DGULZOHTYSGOOE-LJQANCHMSA-N 2 2 333.476 1.460 20 10 EDCDLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559055 594038373 /nfs/dbraw/zinc/03/83/73/594038373.db2.gz DGULZOHTYSGOOE-LJQANCHMSA-N 2 2 333.476 1.460 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000844224873 595308677 /nfs/dbraw/zinc/30/86/77/595308677.db2.gz KCUSQLDPYKYTPB-IBGZPJMESA-N 2 2 330.476 1.444 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000844224873 595308680 /nfs/dbraw/zinc/30/86/80/595308680.db2.gz KCUSQLDPYKYTPB-IBGZPJMESA-N 2 2 330.476 1.444 20 10 EDCDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875429087 597425294 /nfs/dbraw/zinc/42/52/94/597425294.db2.gz YDKCMAVJZXRIQQ-UHFFFAOYSA-N 2 2 332.448 1.443 20 10 EDCDLP COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000375964614 250283041 /nfs/dbraw/zinc/28/30/41/250283041.db2.gz OGHBQRXKOJZKAH-OAHLLOKOSA-N 2 2 347.459 1.501 20 10 EDCDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293653716 295153816 /nfs/dbraw/zinc/15/38/16/295153816.db2.gz OZCCMHHGANLRIT-CYBMUJFWSA-N 2 2 329.803 1.614 20 10 EDCDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293653716 295153817 /nfs/dbraw/zinc/15/38/17/295153817.db2.gz OZCCMHHGANLRIT-CYBMUJFWSA-N 2 2 329.803 1.614 20 10 EDCDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000186064043 443305065 /nfs/dbraw/zinc/30/50/65/443305065.db2.gz RIPFZFTZAMUXCN-HOTGVXAUSA-N 2 2 347.459 1.284 20 10 EDCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000186063525 443305366 /nfs/dbraw/zinc/30/53/66/443305366.db2.gz MFJYQTFVUSEQGZ-HOTGVXAUSA-N 2 2 347.459 1.284 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277221859 443940857 /nfs/dbraw/zinc/94/08/57/443940857.db2.gz NYKNGXZMLUTRKD-QGZVFWFLSA-N 2 2 332.492 1.785 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277221859 443940860 /nfs/dbraw/zinc/94/08/60/443940860.db2.gz NYKNGXZMLUTRKD-QGZVFWFLSA-N 2 2 332.492 1.785 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043833 579894606 /nfs/dbraw/zinc/89/46/06/579894606.db2.gz VXWQLPFVJTUNNC-AOIWGVFYSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043833 579894607 /nfs/dbraw/zinc/89/46/07/579894607.db2.gz VXWQLPFVJTUNNC-AOIWGVFYSA-N 2 2 347.503 1.908 20 10 EDCDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756535645 579951854 /nfs/dbraw/zinc/95/18/54/579951854.db2.gz NVTDMVFJNAEVAY-DZGCQCFKSA-N 2 2 336.432 1.940 20 10 EDCDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756535645 579951855 /nfs/dbraw/zinc/95/18/55/579951855.db2.gz NVTDMVFJNAEVAY-DZGCQCFKSA-N 2 2 336.432 1.940 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484858 592177460 /nfs/dbraw/zinc/17/74/60/592177460.db2.gz XDNZIJRRMSZKDF-KRWDZBQOSA-N 2 2 330.476 1.633 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000819309167 593749911 /nfs/dbraw/zinc/74/99/11/593749911.db2.gz LWBYPAYAMXNYKF-PKOBYXMFSA-N 2 2 347.503 1.956 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843369835 595090332 /nfs/dbraw/zinc/09/03/32/595090332.db2.gz WJBHJJQQLHRYQR-OAHLLOKOSA-N 2 2 349.406 1.130 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843369835 595090334 /nfs/dbraw/zinc/09/03/34/595090334.db2.gz WJBHJJQQLHRYQR-OAHLLOKOSA-N 2 2 349.406 1.130 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H]3C3CC3)CC2)cc1 ZINC000834383512 595107300 /nfs/dbraw/zinc/10/73/00/595107300.db2.gz UJXIZSOZTHGFFL-ICSRJNTNSA-N 2 2 345.487 1.662 20 10 EDCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858118151 595703272 /nfs/dbraw/zinc/70/32/72/595703272.db2.gz PYDVTNZLCIPKBF-UHFFFAOYSA-N 2 2 342.237 1.018 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000858170992 595719340 /nfs/dbraw/zinc/71/93/40/595719340.db2.gz RPKOBYOMXKDVPV-AWEZNQCLSA-N 2 2 327.419 1.967 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000858170992 595719344 /nfs/dbraw/zinc/71/93/44/595719344.db2.gz RPKOBYOMXKDVPV-AWEZNQCLSA-N 2 2 327.419 1.967 20 10 EDCDLP COc1ccc(N2CC[C@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000850346254 595814125 /nfs/dbraw/zinc/81/41/25/595814125.db2.gz DGQLWRIHQQNJMJ-AWEZNQCLSA-N 2 2 329.448 1.863 20 10 EDCDLP COc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010526 /nfs/dbraw/zinc/01/05/26/278010526.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010528 /nfs/dbraw/zinc/01/05/28/278010528.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010531 /nfs/dbraw/zinc/01/05/31/278010531.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010532 /nfs/dbraw/zinc/01/05/32/278010532.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 2 2 349.475 1.238 20 10 EDCDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(F)c3O)CC2)CC1 ZINC000289860461 444212382 /nfs/dbraw/zinc/21/23/82/444212382.db2.gz QOKCYFUYZVBNSE-UHFFFAOYSA-N 2 2 335.423 1.517 20 10 EDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000756555750 579060671 /nfs/dbraw/zinc/06/06/71/579060671.db2.gz LYPJAGNNMGJTDD-WPRPVWTQSA-N 2 2 335.217 1.867 20 10 EDCDLP C=C/C=C/CC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000905423827 592531066 /nfs/dbraw/zinc/53/10/66/592531066.db2.gz RZFKTVINRBMWIF-VZSQWMKGSA-N 2 2 345.487 1.900 20 10 EDCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C)cn3)cc2F)CC1 ZINC000808387965 593256380 /nfs/dbraw/zinc/25/63/80/593256380.db2.gz ZKGQVNVCKJPPFU-UHFFFAOYSA-N 2 2 331.439 1.991 20 10 EDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817893341 593645904 /nfs/dbraw/zinc/64/59/04/593645904.db2.gz YKAZOKZYJQRWIP-JFIYKMOQSA-N 2 2 333.476 1.941 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941885 593650851 /nfs/dbraw/zinc/65/08/51/593650851.db2.gz LMVIFDQTNGSQNR-IXDOHACOSA-N 2 2 339.505 1.698 20 10 EDCDLP CCC1(C[NH2+]C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000819138225 593740898 /nfs/dbraw/zinc/74/08/98/593740898.db2.gz ISZHQONRRIHSHR-SFHVURJKSA-N 2 2 347.503 1.958 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842659908 595162441 /nfs/dbraw/zinc/16/24/41/595162441.db2.gz FGEYQHYQXLMKET-DLBZAZTESA-N 2 2 333.476 1.974 20 10 EDCDLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217144 595304670 /nfs/dbraw/zinc/30/46/70/595304670.db2.gz DYKPQTXONJZGMF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217144 595304672 /nfs/dbraw/zinc/30/46/72/595304672.db2.gz DYKPQTXONJZGMF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000844220447 595305797 /nfs/dbraw/zinc/30/57/97/595305797.db2.gz XAVWWILGOBARIM-MAUKXSAKSA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000844220447 595305799 /nfs/dbraw/zinc/30/57/99/595305799.db2.gz XAVWWILGOBARIM-MAUKXSAKSA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000844220735 595306217 /nfs/dbraw/zinc/30/62/17/595306217.db2.gz MBAZHZIZZKEUCB-IBGZPJMESA-N 2 2 346.475 1.061 20 10 EDCDLP C[NH+](C)CCN1CC[N@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000844713742 595381383 /nfs/dbraw/zinc/38/13/83/595381383.db2.gz FSKXUAOHFJERDF-UHFFFAOYSA-N 2 2 328.416 1.146 20 10 EDCDLP C[NH+](C)CCN1CC[N@@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000844713742 595381385 /nfs/dbraw/zinc/38/13/85/595381385.db2.gz FSKXUAOHFJERDF-UHFFFAOYSA-N 2 2 328.416 1.146 20 10 EDCDLP CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852912917 595611854 /nfs/dbraw/zinc/61/18/54/595611854.db2.gz HXFCMVONYPQUMV-SFHVURJKSA-N 2 2 330.476 1.438 20 10 EDCDLP CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852912917 595611858 /nfs/dbraw/zinc/61/18/58/595611858.db2.gz HXFCMVONYPQUMV-SFHVURJKSA-N 2 2 330.476 1.438 20 10 EDCDLP COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000854216934 596005628 /nfs/dbraw/zinc/00/56/28/596005628.db2.gz HLXXEIZFYGLBNT-KFKAGJAMSA-N 2 2 331.460 1.631 20 10 EDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230410 596008701 /nfs/dbraw/zinc/00/87/01/596008701.db2.gz OXRTXIPZDVGDKE-WBVHZDCISA-N 2 2 333.476 1.504 20 10 EDCDLP COc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000877911244 597563631 /nfs/dbraw/zinc/56/36/31/597563631.db2.gz CPDLEGHZORQLOP-UHFFFAOYSA-N 2 2 346.475 1.028 20 10 EDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273581615 443582387 /nfs/dbraw/zinc/58/23/87/443582387.db2.gz MWZNBHADDSNVHG-PBHICJAKSA-N 2 2 349.475 1.994 20 10 EDCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273581615 443582391 /nfs/dbraw/zinc/58/23/91/443582391.db2.gz MWZNBHADDSNVHG-PBHICJAKSA-N 2 2 349.475 1.994 20 10 EDCDLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428374 444140329 /nfs/dbraw/zinc/14/03/29/444140329.db2.gz XFNZADVUHBPGCT-MSOLQXFVSA-N 2 2 334.460 1.828 20 10 EDCDLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428374 444140332 /nfs/dbraw/zinc/14/03/32/444140332.db2.gz XFNZADVUHBPGCT-MSOLQXFVSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428374 444140335 /nfs/dbraw/zinc/14/03/35/444140335.db2.gz XFNZADVUHBPGCT-MSOLQXFVSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428374 444140339 /nfs/dbraw/zinc/14/03/39/444140339.db2.gz XFNZADVUHBPGCT-MSOLQXFVSA-N 2 2 334.460 1.828 20 10 EDCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000781635332 580553579 /nfs/dbraw/zinc/55/35/79/580553579.db2.gz GCSXJOLHWATCRR-AWEZNQCLSA-N 2 2 331.254 1.865 20 10 EDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893999850 591164101 /nfs/dbraw/zinc/16/41/01/591164101.db2.gz UAAIZGKFUAZKGJ-UHFFFAOYSA-N 2 2 341.402 1.656 20 10 EDCDLP COc1c(N)[nH+]cnc1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897522713 591523271 /nfs/dbraw/zinc/52/32/71/591523271.db2.gz NTJCAQGZOZOESE-AWEZNQCLSA-N 2 2 330.436 1.848 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000905704343 592616922 /nfs/dbraw/zinc/61/69/22/592616922.db2.gz NGMNOJOJUQXNCI-HSALFYBXSA-N 2 2 349.519 1.857 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]Cc3ccoc3)CC2)cc1 ZINC000818974488 593731509 /nfs/dbraw/zinc/73/15/09/593731509.db2.gz AZGRXRBVJKZTHF-GOSISDBHSA-N 2 2 345.443 1.561 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC3(C)CC3)CC2)cc1 ZINC000819129467 593740495 /nfs/dbraw/zinc/74/04/95/593740495.db2.gz JMHZJUFAXVHBIF-QGZVFWFLSA-N 2 2 333.476 1.568 20 10 EDCDLP COc1cc(Br)cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841101555 594851219 /nfs/dbraw/zinc/85/12/19/594851219.db2.gz YINNAVNLRJLWSW-LBPRGKRZSA-N 2 2 345.237 1.713 20 10 EDCDLP COc1cc(Br)cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841101555 594851220 /nfs/dbraw/zinc/85/12/20/594851220.db2.gz YINNAVNLRJLWSW-LBPRGKRZSA-N 2 2 345.237 1.713 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000841778728 594950484 /nfs/dbraw/zinc/95/04/84/594950484.db2.gz FDONUKFVNJNLIZ-AWEZNQCLSA-N 2 2 332.448 1.667 20 10 EDCDLP COc1ccc(N(C)CC[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000846225259 595178652 /nfs/dbraw/zinc/17/86/52/595178652.db2.gz KDRLCOBSPSLERX-UHFFFAOYSA-N 2 2 333.436 1.840 20 10 EDCDLP COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000846225259 595178656 /nfs/dbraw/zinc/17/86/56/595178656.db2.gz KDRLCOBSPSLERX-UHFFFAOYSA-N 2 2 333.436 1.840 20 10 EDCDLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217145 595304792 /nfs/dbraw/zinc/30/47/92/595304792.db2.gz DYKPQTXONJZGMF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217145 595304793 /nfs/dbraw/zinc/30/47/93/595304793.db2.gz DYKPQTXONJZGMF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1C[NH2+]CCO1 ZINC000852747187 596237585 /nfs/dbraw/zinc/23/75/85/596237585.db2.gz YQYRRTFTTIPCMU-CYBMUJFWSA-N 2 2 329.238 1.965 20 10 EDCDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1C[NH2+]CCO1 ZINC000852747187 596237586 /nfs/dbraw/zinc/23/75/86/596237586.db2.gz YQYRRTFTTIPCMU-CYBMUJFWSA-N 2 2 329.238 1.965 20 10 EDCDLP COc1nccnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283528 597699826 /nfs/dbraw/zinc/69/98/26/597699826.db2.gz ISXYJBCSYMVEGV-UHFFFAOYSA-N 2 2 327.432 1.527 20 10 EDCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000225813374 443120198 /nfs/dbraw/zinc/12/01/98/443120198.db2.gz CFWOVAJYZKSYII-ZDUSSCGKSA-N 2 2 328.254 1.490 20 10 EDCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000225813374 443120201 /nfs/dbraw/zinc/12/02/01/443120201.db2.gz CFWOVAJYZKSYII-ZDUSSCGKSA-N 2 2 328.254 1.490 20 10 EDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000186063507 443305244 /nfs/dbraw/zinc/30/52/44/443305244.db2.gz MFJYQTFVUSEQGZ-CVEARBPZSA-N 2 2 347.459 1.284 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566872 443363832 /nfs/dbraw/zinc/36/38/32/443363832.db2.gz CAPVMQGDDKFQRJ-CYBMUJFWSA-N 2 2 339.392 1.245 20 10 EDCDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000299215104 443985149 /nfs/dbraw/zinc/98/51/49/443985149.db2.gz HVJUDELAWKRSHL-YJBOKZPZSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000299215104 443985151 /nfs/dbraw/zinc/98/51/51/443985151.db2.gz HVJUDELAWKRSHL-YJBOKZPZSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215104 443985154 /nfs/dbraw/zinc/98/51/54/443985154.db2.gz HVJUDELAWKRSHL-YJBOKZPZSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215104 443985157 /nfs/dbraw/zinc/98/51/57/443985157.db2.gz HVJUDELAWKRSHL-YJBOKZPZSA-N 2 2 332.492 1.783 20 10 EDCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn(C)n3)cc2F)CC1 ZINC000293457877 444022992 /nfs/dbraw/zinc/02/29/92/444022992.db2.gz CYKIXSSOZXDAII-UHFFFAOYSA-N 2 2 332.427 1.386 20 10 EDCDLP C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365684996 446299966 /nfs/dbraw/zinc/29/99/66/446299966.db2.gz ZDIZLAKSHOCUNC-CYBMUJFWSA-N 2 2 333.432 1.338 20 10 EDCDLP C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365684996 446299969 /nfs/dbraw/zinc/29/99/69/446299969.db2.gz ZDIZLAKSHOCUNC-CYBMUJFWSA-N 2 2 333.432 1.338 20 10 EDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000371381896 446821836 /nfs/dbraw/zinc/82/18/36/446821836.db2.gz GNPVGFSECBDDER-SFHVURJKSA-N 2 2 333.476 1.457 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000754048956 579894842 /nfs/dbraw/zinc/89/48/42/579894842.db2.gz GUPFXMFPTHLTOW-GOSISDBHSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000754048956 579894843 /nfs/dbraw/zinc/89/48/43/579894843.db2.gz GUPFXMFPTHLTOW-GOSISDBHSA-N 2 2 347.503 1.910 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000756552330 579952307 /nfs/dbraw/zinc/95/23/07/579952307.db2.gz ZUHJGXDKWCRRAM-CFVMTHIKSA-N 2 2 334.416 1.693 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000756552330 579952308 /nfs/dbraw/zinc/95/23/08/579952308.db2.gz ZUHJGXDKWCRRAM-CFVMTHIKSA-N 2 2 334.416 1.693 20 10 EDCDLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000769532753 580239376 /nfs/dbraw/zinc/23/93/76/580239376.db2.gz MJSGIILRFWCMDK-QGZVFWFLSA-N 2 2 347.459 1.529 20 10 EDCDLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(O)c1 ZINC000769532753 580239377 /nfs/dbraw/zinc/23/93/77/580239377.db2.gz MJSGIILRFWCMDK-QGZVFWFLSA-N 2 2 347.459 1.529 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)CCc2[nH]cc[nH+]2)[NH+](C)C)cc1 ZINC000891248334 591017189 /nfs/dbraw/zinc/01/71/89/591017189.db2.gz KTTRZFLFDMEIRS-INIZCTEOSA-N 2 2 329.448 1.827 20 10 EDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000817888736 593645620 /nfs/dbraw/zinc/64/56/20/593645620.db2.gz JSWIUQUBVCZQLG-UWWQBHOKSA-N 2 2 330.476 1.618 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000827700669 594260218 /nfs/dbraw/zinc/26/02/18/594260218.db2.gz WQIISHYXAGHJSS-HNNXBMFYSA-N 2 2 336.432 1.440 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000827700669 594260220 /nfs/dbraw/zinc/26/02/20/594260220.db2.gz WQIISHYXAGHJSS-HNNXBMFYSA-N 2 2 336.432 1.440 20 10 EDCDLP COC[C@@]1(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)CC[NH2+]C1 ZINC000828353541 594398731 /nfs/dbraw/zinc/39/87/31/594398731.db2.gz RHFPBGNCPBPXGV-LJQANCHMSA-N 2 2 347.459 1.406 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843388504 595097076 /nfs/dbraw/zinc/09/70/76/595097076.db2.gz POKTVRBRMNEETB-AWEZNQCLSA-N 2 2 336.407 1.921 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843388504 595097078 /nfs/dbraw/zinc/09/70/78/595097078.db2.gz POKTVRBRMNEETB-AWEZNQCLSA-N 2 2 336.407 1.921 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC3=[NH+]CCCN3C)CC2)cc1 ZINC000849111450 595483661 /nfs/dbraw/zinc/48/36/61/595483661.db2.gz OHTUWIWYTVHBDU-UHFFFAOYSA-N 2 2 331.464 1.098 20 10 EDCDLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858548379 595824990 /nfs/dbraw/zinc/82/49/90/595824990.db2.gz MHNCHTNADZURCA-GDBMZVCRSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858548379 595824993 /nfs/dbraw/zinc/82/49/93/595824993.db2.gz MHNCHTNADZURCA-GDBMZVCRSA-N 2 2 337.439 1.380 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC3CC=CC3)CC2)cc1 ZINC000863570148 596621374 /nfs/dbraw/zinc/62/13/74/596621374.db2.gz DNAAWVULOFLVFC-LJQANCHMSA-N 2 2 345.487 1.734 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960857 441212764 /nfs/dbraw/zinc/21/27/64/441212764.db2.gz NUENXJCMQCGARK-MRXNPFEDSA-N 2 2 341.459 1.972 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960857 441212766 /nfs/dbraw/zinc/21/27/66/441212766.db2.gz NUENXJCMQCGARK-MRXNPFEDSA-N 2 2 341.459 1.972 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808172 441954234 /nfs/dbraw/zinc/95/42/34/441954234.db2.gz LGLKEPHRORNWLG-GOSISDBHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808172 441954242 /nfs/dbraw/zinc/95/42/42/441954242.db2.gz LGLKEPHRORNWLG-GOSISDBHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179163711 442586762 /nfs/dbraw/zinc/58/67/62/442586762.db2.gz OKGFBVTVEQJZGO-UHFFFAOYSA-N 2 2 343.475 1.930 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179163711 442586765 /nfs/dbraw/zinc/58/67/65/442586765.db2.gz OKGFBVTVEQJZGO-UHFFFAOYSA-N 2 2 343.475 1.930 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000273409666 443571983 /nfs/dbraw/zinc/57/19/83/443571983.db2.gz PJHDXQZPSCZERZ-UKRRQHHQSA-N 2 2 336.432 1.676 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(F)cc1O ZINC000375503839 446854255 /nfs/dbraw/zinc/85/42/55/446854255.db2.gz ZLGTUKJFBAUTEG-OMXAPOSASA-N 2 2 332.379 1.935 20 10 EDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093045986 528084852 /nfs/dbraw/zinc/08/48/52/528084852.db2.gz IWAMTPYMYPRHHV-UHFFFAOYSA-N 2 2 335.448 1.387 20 10 EDCDLP Oc1ccccc1C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000749296209 579720852 /nfs/dbraw/zinc/72/08/52/579720852.db2.gz GQOIPCZSSZZEEP-MSOLQXFVSA-N 2 2 334.460 1.830 20 10 EDCDLP Oc1ccccc1C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000749296209 579720854 /nfs/dbraw/zinc/72/08/54/579720854.db2.gz GQOIPCZSSZZEEP-MSOLQXFVSA-N 2 2 334.460 1.830 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000754023395 579894175 /nfs/dbraw/zinc/89/41/75/579894175.db2.gz ALTDAOFVUHWKDJ-SJLPKXTDSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000754023395 579894176 /nfs/dbraw/zinc/89/41/76/579894176.db2.gz ALTDAOFVUHWKDJ-SJLPKXTDSA-N 2 2 333.476 1.520 20 10 EDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790177 580083423 /nfs/dbraw/zinc/08/34/23/580083423.db2.gz XWLDAFWFIDESFO-KSSFIOAISA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790177 580083424 /nfs/dbraw/zinc/08/34/24/580083424.db2.gz XWLDAFWFIDESFO-KSSFIOAISA-N 2 2 337.439 1.380 20 10 EDCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775639476 580395836 /nfs/dbraw/zinc/39/58/36/580395836.db2.gz WUAPLMFITAJEEY-QGZVFWFLSA-N 2 2 337.489 1.057 20 10 EDCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775639476 580395837 /nfs/dbraw/zinc/39/58/37/580395837.db2.gz WUAPLMFITAJEEY-QGZVFWFLSA-N 2 2 337.489 1.057 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000775647623 580396212 /nfs/dbraw/zinc/39/62/12/580396212.db2.gz ZLFWSHLBTRORQK-UHFFFAOYSA-N 2 2 342.487 1.493 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)c1 ZINC000897575124 591561309 /nfs/dbraw/zinc/56/13/09/591561309.db2.gz QHKJZVANUTTXOW-UHFFFAOYSA-N 2 2 340.431 1.667 20 10 EDCDLP Cc1cccc(O)c1C[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000897573481 591561936 /nfs/dbraw/zinc/56/19/36/591561936.db2.gz KGPJNQNNZAINMW-UHFFFAOYSA-N 2 2 340.431 1.667 20 10 EDCDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c(O)c1OC ZINC000897229350 591779708 /nfs/dbraw/zinc/77/97/08/591779708.db2.gz UFRZYVAGLDQJPQ-HNNXBMFYSA-N 2 2 336.432 1.752 20 10 EDCDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c(O)c1OC ZINC000897229350 591779711 /nfs/dbraw/zinc/77/97/11/591779711.db2.gz UFRZYVAGLDQJPQ-HNNXBMFYSA-N 2 2 336.432 1.752 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483968 592177646 /nfs/dbraw/zinc/17/76/46/592177646.db2.gz NDDAZYGMGXHMCH-SFHVURJKSA-N 2 2 344.503 1.975 20 10 EDCDLP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1N1CCOCC1 ZINC000817889701 593645391 /nfs/dbraw/zinc/64/53/91/593645391.db2.gz VATPQRRMIPGIHB-RTBURBONSA-N 2 2 349.450 1.519 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000819087590 593738194 /nfs/dbraw/zinc/73/81/94/593738194.db2.gz LUYIBFSRZMROFK-PKOBYXMFSA-N 2 2 345.487 1.876 20 10 EDCDLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000371665322 446946069 /nfs/dbraw/zinc/94/60/69/446946069.db2.gz LTPLKDQEXGZSCG-ZDUSSCGKSA-N 2 2 333.432 1.305 20 10 EDCDLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000371665322 446946072 /nfs/dbraw/zinc/94/60/72/446946072.db2.gz LTPLKDQEXGZSCG-ZDUSSCGKSA-N 2 2 333.432 1.305 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)C3CCC3)CC2)cc1 ZINC000754051971 579894988 /nfs/dbraw/zinc/89/49/88/579894988.db2.gz WXHUNXJHBDSVCO-SFHVURJKSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CCC3)CC2)cc1 ZINC000754051971 579894989 /nfs/dbraw/zinc/89/49/89/579894989.db2.gz WXHUNXJHBDSVCO-SFHVURJKSA-N 2 2 333.476 1.662 20 10 EDCDLP CO[C@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000898449686 591353075 /nfs/dbraw/zinc/35/30/75/591353075.db2.gz JETNFOVJEHQDNK-BHIYHBOVSA-N 2 2 335.492 1.996 20 10 EDCDLP C[C@H](O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000825098173 594129820 /nfs/dbraw/zinc/12/98/20/594129820.db2.gz BVQYGHLKMSVWBM-AWEZNQCLSA-N 2 2 327.419 1.886 20 10 EDCDLP C[C@H](O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000825098173 594129821 /nfs/dbraw/zinc/12/98/21/594129821.db2.gz BVQYGHLKMSVWBM-AWEZNQCLSA-N 2 2 327.419 1.886 20 10 EDCDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835037584 595251156 /nfs/dbraw/zinc/25/11/56/595251156.db2.gz QHAQAMPABHVXHC-AATRIKPKSA-N 2 2 344.503 1.908 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848393300 595372821 /nfs/dbraw/zinc/37/28/21/595372821.db2.gz YAJXVXBESSYTJL-GOEBONIOSA-N 2 2 327.432 1.328 20 10 EDCDLP CCOCc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1OC ZINC000863648725 596644642 /nfs/dbraw/zinc/64/46/42/596644642.db2.gz FUUFNQIKPRNBTD-UHFFFAOYSA-N 2 2 332.404 1.476 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1C ZINC000939856556 699995409 /nfs/dbraw/zinc/99/54/09/699995409.db2.gz OHFLXLVGXPCLRM-DOTOQJQBSA-N 2 2 342.443 1.837 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252653403 249319605 /nfs/dbraw/zinc/31/96/05/249319605.db2.gz YTRGFEOQRNFBGF-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252653403 249319608 /nfs/dbraw/zinc/31/96/08/249319608.db2.gz YTRGFEOQRNFBGF-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252653403 249319612 /nfs/dbraw/zinc/31/96/12/249319612.db2.gz YTRGFEOQRNFBGF-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000252653403 249319614 /nfs/dbraw/zinc/31/96/14/249319614.db2.gz YTRGFEOQRNFBGF-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492174 250187271 /nfs/dbraw/zinc/18/72/71/250187271.db2.gz LYPCFMHCAAJFEL-STQMWFEESA-N 2 2 337.376 1.262 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492174 250187274 /nfs/dbraw/zinc/18/72/74/250187274.db2.gz LYPCFMHCAAJFEL-STQMWFEESA-N 2 2 337.376 1.262 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808208 441954323 /nfs/dbraw/zinc/95/43/23/441954323.db2.gz LGLKEPHRORNWLG-SFHVURJKSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808208 441954332 /nfs/dbraw/zinc/95/43/32/441954332.db2.gz LGLKEPHRORNWLG-SFHVURJKSA-N 2 2 344.503 1.787 20 10 EDCDLP COc1c(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278279163 444127489 /nfs/dbraw/zinc/12/74/89/444127489.db2.gz SRALAVLTYQIMBM-UHFFFAOYSA-N 2 2 339.392 1.198 20 10 EDCDLP COc1c(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278279163 444127492 /nfs/dbraw/zinc/12/74/92/444127492.db2.gz SRALAVLTYQIMBM-UHFFFAOYSA-N 2 2 339.392 1.198 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000364110892 445896348 /nfs/dbraw/zinc/89/63/48/445896348.db2.gz SRWQLGYICADFRW-UHFFFAOYSA-N 2 2 333.432 1.139 20 10 EDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000756557937 579952521 /nfs/dbraw/zinc/95/25/21/579952521.db2.gz YOOQABPQHJLUPF-BDAKNGLRSA-N 2 2 335.217 1.867 20 10 EDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517385 592009249 /nfs/dbraw/zinc/00/92/49/592009249.db2.gz LJGLEOHHSPEUIT-HHXXYDBFSA-N 2 2 334.508 1.712 20 10 EDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893170 593646078 /nfs/dbraw/zinc/64/60/78/593646078.db2.gz FMAOWIJFDLXGSH-QFBILLFUSA-N 2 2 347.503 1.752 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817895649 593646355 /nfs/dbraw/zinc/64/63/55/593646355.db2.gz WOYYTWRTQUZEJD-APWZRJJASA-N 2 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817895649 593646357 /nfs/dbraw/zinc/64/63/57/593646357.db2.gz WOYYTWRTQUZEJD-APWZRJJASA-N 2 2 332.492 1.405 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CC[C@H]3C)CC2)cc1 ZINC000819311870 593750110 /nfs/dbraw/zinc/75/01/10/593750110.db2.gz PPOCYWUYMLSBIM-SUMDDJOVSA-N 2 2 333.476 1.566 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000841778729 594950708 /nfs/dbraw/zinc/95/07/08/594950708.db2.gz FDONUKFVNJNLIZ-CQSZACIVSA-N 2 2 332.448 1.667 20 10 EDCDLP Nc1nc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc(N)[nH+]1 ZINC000858406216 595787175 /nfs/dbraw/zinc/78/71/75/595787175.db2.gz ZPDUBWFYGORIAR-NSHDSACASA-N 2 2 349.826 1.472 20 10 EDCDLP Nc1nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc(N)[nH+]1 ZINC000858406216 595787177 /nfs/dbraw/zinc/78/71/77/595787177.db2.gz ZPDUBWFYGORIAR-NSHDSACASA-N 2 2 349.826 1.472 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000854230799 596008820 /nfs/dbraw/zinc/00/88/20/596008820.db2.gz YYMIMCBAGPDIJS-UXHICEINSA-N 2 2 345.487 1.504 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000852633400 596214474 /nfs/dbraw/zinc/21/44/74/596214474.db2.gz BHFLMRJNIHUCFE-LNLFQRSKSA-N 2 2 345.487 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000852633400 596214478 /nfs/dbraw/zinc/21/44/78/596214478.db2.gz BHFLMRJNIHUCFE-LNLFQRSKSA-N 2 2 345.487 1.520 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000877429561 597514089 /nfs/dbraw/zinc/51/40/89/597514089.db2.gz KKRBTOZDIJOSSC-INIZCTEOSA-N 2 2 326.444 1.949 20 10 EDCDLP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)CC1 ZINC000882994182 597610733 /nfs/dbraw/zinc/61/07/33/597610733.db2.gz VOZYGHRMLWLTSJ-CQSZACIVSA-N 2 2 325.403 1.929 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(F)c1O ZINC000361053106 250169679 /nfs/dbraw/zinc/16/96/79/250169679.db2.gz PYQDPYDZCXKAMA-HOCLYGCPSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(F)c1O ZINC000361053106 250169681 /nfs/dbraw/zinc/16/96/81/250169681.db2.gz PYQDPYDZCXKAMA-HOCLYGCPSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(F)c1O ZINC000361053106 250169683 /nfs/dbraw/zinc/16/96/83/250169683.db2.gz PYQDPYDZCXKAMA-HOCLYGCPSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(F)c1O ZINC000361053106 250169685 /nfs/dbraw/zinc/16/96/85/250169685.db2.gz PYQDPYDZCXKAMA-HOCLYGCPSA-N 2 2 337.439 1.368 20 10 EDCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273582396 443582656 /nfs/dbraw/zinc/58/26/56/443582656.db2.gz MWZNBHADDSNVHG-WMLDXEAASA-N 2 2 349.475 1.994 20 10 EDCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273582396 443582658 /nfs/dbraw/zinc/58/26/58/443582658.db2.gz MWZNBHADDSNVHG-WMLDXEAASA-N 2 2 349.475 1.994 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000754048961 579894833 /nfs/dbraw/zinc/89/48/33/579894833.db2.gz GUPFXMFPTHLTOW-SFHVURJKSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000754048961 579894834 /nfs/dbraw/zinc/89/48/34/579894834.db2.gz GUPFXMFPTHLTOW-SFHVURJKSA-N 2 2 347.503 1.910 20 10 EDCDLP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754056207 579895163 /nfs/dbraw/zinc/89/51/63/579895163.db2.gz ABDIQOOPSXKJEC-FUHWJXTLSA-N 2 2 335.492 1.908 20 10 EDCDLP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754056207 579895164 /nfs/dbraw/zinc/89/51/64/579895164.db2.gz ABDIQOOPSXKJEC-FUHWJXTLSA-N 2 2 335.492 1.908 20 10 EDCDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775005207 580380523 /nfs/dbraw/zinc/38/05/23/580380523.db2.gz QDMWYOQGLFLFCC-ZDUSSCGKSA-N 2 2 339.392 1.509 20 10 EDCDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775005207 580380524 /nfs/dbraw/zinc/38/05/24/580380524.db2.gz QDMWYOQGLFLFCC-ZDUSSCGKSA-N 2 2 339.392 1.509 20 10 EDCDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)CC1 ZINC000895460520 591766052 /nfs/dbraw/zinc/76/60/52/591766052.db2.gz HQSHVWJSUFALKC-UHFFFAOYSA-N 2 2 325.403 1.882 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831025417 594540402 /nfs/dbraw/zinc/54/04/02/594540402.db2.gz JTJSSPXQUAWWIE-SFHVURJKSA-N 2 2 332.448 1.715 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000841779233 594950890 /nfs/dbraw/zinc/95/08/90/594950890.db2.gz OFTOAGGZCDTYNN-UHFFFAOYSA-N 2 2 332.448 1.669 20 10 EDCDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000834759802 595205534 /nfs/dbraw/zinc/20/55/34/595205534.db2.gz FWTCIYFELMTBKL-LSDHHAIUSA-N 2 2 340.427 1.894 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000854230800 596008782 /nfs/dbraw/zinc/00/87/82/596008782.db2.gz YYMIMCBAGPDIJS-VQTJNVASSA-N 2 2 345.487 1.504 20 10 EDCDLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1O ZINC000877756608 597553374 /nfs/dbraw/zinc/55/33/74/597553374.db2.gz XMIKAVKWPRTZCG-MRXNPFEDSA-N 2 2 333.476 1.839 20 10 EDCDLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1O ZINC000877756608 597553375 /nfs/dbraw/zinc/55/33/75/597553375.db2.gz XMIKAVKWPRTZCG-MRXNPFEDSA-N 2 2 333.476 1.839 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113513811 237132185 /nfs/dbraw/zinc/13/21/85/237132185.db2.gz YNJDEZLHLDQAPF-KRWDZBQOSA-N 2 2 332.492 1.595 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113513811 237132194 /nfs/dbraw/zinc/13/21/94/237132194.db2.gz YNJDEZLHLDQAPF-KRWDZBQOSA-N 2 2 332.492 1.595 20 10 EDCDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768463467 580213930 /nfs/dbraw/zinc/21/39/30/580213930.db2.gz UOUQFHMQDVMQPT-QGZVFWFLSA-N 2 2 341.411 1.844 20 10 EDCDLP COc1c(O)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000775063169 580382041 /nfs/dbraw/zinc/38/20/41/580382041.db2.gz NOJWZMVOIMIQHR-UHFFFAOYSA-N 2 2 339.392 1.245 20 10 EDCDLP C[C@H]1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)S1=O ZINC000792192495 580813062 /nfs/dbraw/zinc/81/30/62/580813062.db2.gz OOEBBRGHXUBGQW-HOTGVXAUSA-N 2 2 335.517 1.780 20 10 EDCDLP COc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000796502032 580955074 /nfs/dbraw/zinc/95/50/74/580955074.db2.gz HMWNUHMWKAWMBZ-GOOCMWNKSA-N 2 2 347.459 1.574 20 10 EDCDLP COc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000796502032 580955075 /nfs/dbraw/zinc/95/50/75/580955075.db2.gz HMWNUHMWKAWMBZ-GOOCMWNKSA-N 2 2 347.459 1.574 20 10 EDCDLP CN(C)c1ccc(C[N@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000757649869 593384479 /nfs/dbraw/zinc/38/44/79/593384479.db2.gz KALRYFHEWBWXEL-UHFFFAOYSA-N 2 2 330.476 1.491 20 10 EDCDLP CN(C)c1ccc(C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000757649869 593384483 /nfs/dbraw/zinc/38/44/83/593384483.db2.gz KALRYFHEWBWXEL-UHFFFAOYSA-N 2 2 330.476 1.491 20 10 EDCDLP COc1ccc(N2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000849324581 595505973 /nfs/dbraw/zinc/50/59/73/595505973.db2.gz LYOLRQVKOGZZHO-SFHVURJKSA-N 2 2 335.492 1.908 20 10 EDCDLP COc1ccc(N2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000849324581 595505974 /nfs/dbraw/zinc/50/59/74/595505974.db2.gz LYOLRQVKOGZZHO-SFHVURJKSA-N 2 2 335.492 1.908 20 10 EDCDLP COc1ccc(N2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000849324581 595505975 /nfs/dbraw/zinc/50/59/75/595505975.db2.gz LYOLRQVKOGZZHO-SFHVURJKSA-N 2 2 335.492 1.908 20 10 EDCDLP COc1ccc(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000849324581 595505976 /nfs/dbraw/zinc/50/59/76/595505976.db2.gz LYOLRQVKOGZZHO-SFHVURJKSA-N 2 2 335.492 1.908 20 10 EDCDLP CC[NH+]1CCN(c2ccc(CNc3nc(C)[nH+]c(N)n3)cc2F)CC1 ZINC000865524751 596599836 /nfs/dbraw/zinc/59/98/36/596599836.db2.gz NZFDANPADDMNLV-UHFFFAOYSA-N 2 2 345.426 1.655 20 10 EDCDLP CC[NH+]1CCN(c2ccc(CNc3nc(N)nc(C)[nH+]3)cc2F)CC1 ZINC000865524751 596599840 /nfs/dbraw/zinc/59/98/40/596599840.db2.gz NZFDANPADDMNLV-UHFFFAOYSA-N 2 2 345.426 1.655 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113513813 237131772 /nfs/dbraw/zinc/13/17/72/237131772.db2.gz YNJDEZLHLDQAPF-QGZVFWFLSA-N 2 2 332.492 1.595 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113513813 237131782 /nfs/dbraw/zinc/13/17/82/237131782.db2.gz YNJDEZLHLDQAPF-QGZVFWFLSA-N 2 2 332.492 1.595 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000079436703 442048406 /nfs/dbraw/zinc/04/84/06/442048406.db2.gz XKBHPBXVRCSUQN-QGZVFWFLSA-N 2 2 349.450 1.946 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000079436703 442048414 /nfs/dbraw/zinc/04/84/14/442048414.db2.gz XKBHPBXVRCSUQN-QGZVFWFLSA-N 2 2 349.450 1.946 20 10 EDCDLP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269324 442463099 /nfs/dbraw/zinc/46/30/99/442463099.db2.gz XRSIIDOOPIKOMO-AWEZNQCLSA-N 2 2 325.840 1.688 20 10 EDCDLP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269324 442463107 /nfs/dbraw/zinc/46/31/07/442463107.db2.gz XRSIIDOOPIKOMO-AWEZNQCLSA-N 2 2 325.840 1.688 20 10 EDCDLP COc1cc(C)cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O ZINC000754731429 579910410 /nfs/dbraw/zinc/91/04/10/579910410.db2.gz BMRQWZJXIZKXMH-UHFFFAOYSA-N 2 2 347.459 1.449 20 10 EDCDLP CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000773765116 580345760 /nfs/dbraw/zinc/34/57/60/580345760.db2.gz GBBPIMAQRYIKOD-IBGZPJMESA-N 2 2 344.503 1.881 20 10 EDCDLP CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000773765116 580345761 /nfs/dbraw/zinc/34/57/61/580345761.db2.gz GBBPIMAQRYIKOD-IBGZPJMESA-N 2 2 344.503 1.881 20 10 EDCDLP COC(=O)C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775701715 580397746 /nfs/dbraw/zinc/39/77/46/580397746.db2.gz WCUSPRSYNPXNAR-SFHVURJKSA-N 2 2 347.459 1.202 20 10 EDCDLP COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775701715 580397747 /nfs/dbraw/zinc/39/77/47/580397747.db2.gz WCUSPRSYNPXNAR-SFHVURJKSA-N 2 2 347.459 1.202 20 10 EDCDLP O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CC[NH2+]CC1 ZINC000843047598 595273028 /nfs/dbraw/zinc/27/30/28/595273028.db2.gz YPYUUIDDHONNDX-AWEZNQCLSA-N 2 2 337.851 1.689 20 10 EDCDLP O=C([C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)N1CC[NH2+]CC1 ZINC000843047598 595273031 /nfs/dbraw/zinc/27/30/31/595273031.db2.gz YPYUUIDDHONNDX-AWEZNQCLSA-N 2 2 337.851 1.689 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154279 596815006 /nfs/dbraw/zinc/81/50/06/596815006.db2.gz UCLRWAMBWVYTMG-QFBILLFUSA-N 2 2 330.476 1.252 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154279 596815009 /nfs/dbraw/zinc/81/50/09/596815009.db2.gz UCLRWAMBWVYTMG-QFBILLFUSA-N 2 2 330.476 1.252 20 10 EDCDLP C[C@H](O)CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848348 /nfs/dbraw/zinc/84/83/48/580848348.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 2 2 346.519 1.325 20 10 EDCDLP C[C@H](O)CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848349 /nfs/dbraw/zinc/84/83/49/580848349.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 2 2 346.519 1.325 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502045 593472247 /nfs/dbraw/zinc/47/22/47/593472247.db2.gz HJFHQSIBOBUMRP-LJQANCHMSA-N 2 2 343.471 1.618 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502045 593472248 /nfs/dbraw/zinc/47/22/48/593472248.db2.gz HJFHQSIBOBUMRP-LJQANCHMSA-N 2 2 343.471 1.618 20 10 EDCDLP CCC1(C)C[NH+](C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000812313725 593495743 /nfs/dbraw/zinc/49/57/43/593495743.db2.gz ZGMIHAKLAPONTL-SFHVURJKSA-N 2 2 347.503 1.910 20 10 EDCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814181166 593577912 /nfs/dbraw/zinc/57/79/12/593577912.db2.gz XAGCFAIRXQGOMV-KRWDZBQOSA-N 2 2 331.460 1.964 20 10 EDCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814181166 593577913 /nfs/dbraw/zinc/57/79/13/593577913.db2.gz XAGCFAIRXQGOMV-KRWDZBQOSA-N 2 2 331.460 1.964 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000819249908 593746683 /nfs/dbraw/zinc/74/66/83/593746683.db2.gz OSFQQGVZOQSPMC-ZIFCJYIRSA-N 2 2 347.503 1.956 20 10 EDCDLP CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846662233 595295107 /nfs/dbraw/zinc/29/51/07/595295107.db2.gz OKTFXPBTCMBWDY-GOSISDBHSA-N 2 2 332.492 1.914 20 10 EDCDLP CCO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C[NH3+] ZINC000844903477 595410952 /nfs/dbraw/zinc/41/09/52/595410952.db2.gz CRNATSFOAYQSCK-DGCLKSJQSA-N 2 2 325.365 1.105 20 10 EDCDLP CCO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C[NH3+] ZINC000844903477 595410954 /nfs/dbraw/zinc/41/09/54/595410954.db2.gz CRNATSFOAYQSCK-DGCLKSJQSA-N 2 2 325.365 1.105 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3CC(C)C3)CC2)cc1 ZINC000857239402 596194869 /nfs/dbraw/zinc/19/48/69/596194869.db2.gz AJXPADBBFWYEOR-TVPLGVNVSA-N 2 2 347.503 1.814 20 10 EDCDLP Cc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862464875 596333338 /nfs/dbraw/zinc/33/33/38/596333338.db2.gz KVDZJFAUENHQTQ-AWEZNQCLSA-N 2 2 325.840 1.783 20 10 EDCDLP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000862464875 596333339 /nfs/dbraw/zinc/33/33/39/596333339.db2.gz KVDZJFAUENHQTQ-AWEZNQCLSA-N 2 2 325.840 1.783 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862465668 596333521 /nfs/dbraw/zinc/33/35/21/596333521.db2.gz SIJHWJGGUOEAOR-ZDUSSCGKSA-N 2 2 329.803 1.614 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862465668 596333524 /nfs/dbraw/zinc/33/35/24/596333524.db2.gz SIJHWJGGUOEAOR-ZDUSSCGKSA-N 2 2 329.803 1.614 20 10 EDCDLP CCN(CC)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1F ZINC000863647717 596644111 /nfs/dbraw/zinc/64/41/11/596644111.db2.gz CUUMNSDWELIATP-UHFFFAOYSA-N 2 2 333.411 1.916 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000877022403 597414214 /nfs/dbraw/zinc/41/42/14/597414214.db2.gz MURNTCONNWJNHI-ICSRJNTNSA-N 2 2 345.487 1.601 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000877022403 597414215 /nfs/dbraw/zinc/41/42/15/597414215.db2.gz MURNTCONNWJNHI-ICSRJNTNSA-N 2 2 345.487 1.601 20 10 EDCDLP CCOc1ccc(O)c(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000093046152 237016345 /nfs/dbraw/zinc/01/63/45/237016345.db2.gz ALZTXMHQEAMZEB-UHFFFAOYSA-N 2 2 349.475 1.777 20 10 EDCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000729468832 578576302 /nfs/dbraw/zinc/57/63/02/578576302.db2.gz WAYNUZFXMUQDLM-UHFFFAOYSA-N 2 2 343.383 1.847 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC=C(C)CC3)CC2)cc1 ZINC000754075878 579895711 /nfs/dbraw/zinc/89/57/11/579895711.db2.gz RJKPQJWMAWZNPY-IBGZPJMESA-N 2 2 345.487 1.830 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC=C(C)CC3)CC2)cc1 ZINC000754075878 579895712 /nfs/dbraw/zinc/89/57/12/579895712.db2.gz RJKPQJWMAWZNPY-IBGZPJMESA-N 2 2 345.487 1.830 20 10 EDCDLP CC[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727370 580398656 /nfs/dbraw/zinc/39/86/56/580398656.db2.gz CXTWXHCHJLXAGY-UHFFFAOYSA-N 2 2 339.505 1.305 20 10 EDCDLP CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727370 580398657 /nfs/dbraw/zinc/39/86/57/580398657.db2.gz CXTWXHCHJLXAGY-UHFFFAOYSA-N 2 2 339.505 1.305 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)COC(C)=O)CC2)cc1 ZINC000892461395 591035738 /nfs/dbraw/zinc/03/57/38/591035738.db2.gz DGDSGDJGMAEVPC-INIZCTEOSA-N 2 2 349.475 1.749 20 10 EDCDLP Oc1ccc(F)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895687852 591249298 /nfs/dbraw/zinc/24/92/98/591249298.db2.gz CTRGIUGMPMCMHG-KRWDZBQOSA-N 2 2 337.439 1.418 20 10 EDCDLP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000903941268 592392894 /nfs/dbraw/zinc/39/28/94/592392894.db2.gz VIDXVAVZBFBSMT-UHFFFAOYSA-N 2 2 344.484 1.997 20 10 EDCDLP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000903941268 592392900 /nfs/dbraw/zinc/39/29/00/592392900.db2.gz VIDXVAVZBFBSMT-UHFFFAOYSA-N 2 2 344.484 1.997 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000806684062 593463967 /nfs/dbraw/zinc/46/39/67/593463967.db2.gz PWJYVCFLIQMOOI-AWEZNQCLSA-N 2 2 334.464 1.913 20 10 EDCDLP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1N1CCOCC1 ZINC000817889699 593645591 /nfs/dbraw/zinc/64/55/91/593645591.db2.gz VATPQRRMIPGIHB-OALUTQOASA-N 2 2 349.450 1.519 20 10 EDCDLP CC[C@H](NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817895188 593646341 /nfs/dbraw/zinc/64/63/41/593646341.db2.gz SBZZIEAOAXAKQS-PMACEKPBSA-N 2 2 346.519 1.937 20 10 EDCDLP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817945087 593651018 /nfs/dbraw/zinc/65/10/18/593651018.db2.gz UAOUMHWAFIOSBB-JTQLQIEISA-N 2 2 346.244 1.850 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000828353190 594398986 /nfs/dbraw/zinc/39/89/86/594398986.db2.gz KHJPIDKQHDPNRP-OAHLLOKOSA-N 2 2 333.432 1.159 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000834298775 595085077 /nfs/dbraw/zinc/08/50/77/595085077.db2.gz AFTWCIXYDWFTTP-HNNXBMFYSA-N 2 2 327.432 1.204 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000834298775 595085080 /nfs/dbraw/zinc/08/50/80/595085080.db2.gz AFTWCIXYDWFTTP-HNNXBMFYSA-N 2 2 327.432 1.204 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000844221434 595307023 /nfs/dbraw/zinc/30/70/23/595307023.db2.gz ZXXCWFFABSNLJJ-IBGZPJMESA-N 2 2 348.491 1.307 20 10 EDCDLP CCc1cccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1O ZINC000848902127 595465183 /nfs/dbraw/zinc/46/51/83/595465183.db2.gz LCFWRGIJUOIGRR-INIZCTEOSA-N 2 2 342.443 1.969 20 10 EDCDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555119 596196928 /nfs/dbraw/zinc/19/69/28/596196928.db2.gz JRYDXVORMBNBIV-AZUAARDMSA-N 2 2 347.503 1.956 20 10 EDCDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555121 596197069 /nfs/dbraw/zinc/19/70/69/596197069.db2.gz JRYDXVORMBNBIV-QUCCMNQESA-N 2 2 347.503 1.956 20 10 EDCDLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000864645958 596295731 /nfs/dbraw/zinc/29/57/31/596295731.db2.gz PJVUCNAHARZDGY-UHFFFAOYSA-N 2 2 332.452 1.323 20 10 EDCDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000864645958 596295735 /nfs/dbraw/zinc/29/57/35/596295735.db2.gz PJVUCNAHARZDGY-UHFFFAOYSA-N 2 2 332.452 1.323 20 10 EDCDLP COc1c(N)[nH+]cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882879917 598093935 /nfs/dbraw/zinc/09/39/35/598093935.db2.gz SZKJPJHOHYDCKG-UHFFFAOYSA-N 2 2 328.420 1.431 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1C ZINC000939856557 699995616 /nfs/dbraw/zinc/99/56/16/699995616.db2.gz OHFLXLVGXPCLRM-NVXWUHKLSA-N 2 2 342.443 1.837 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(F)ccc1O ZINC000361054713 250169247 /nfs/dbraw/zinc/16/92/47/250169247.db2.gz VADDDQFVZSCLIT-RHSMWYFYSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(F)ccc1O ZINC000361054713 250169253 /nfs/dbraw/zinc/16/92/53/250169253.db2.gz VADDDQFVZSCLIT-RHSMWYFYSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000361054713 250169258 /nfs/dbraw/zinc/16/92/58/250169258.db2.gz VADDDQFVZSCLIT-RHSMWYFYSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000361054713 250169261 /nfs/dbraw/zinc/16/92/61/250169261.db2.gz VADDDQFVZSCLIT-RHSMWYFYSA-N 2 2 337.439 1.368 20 10 EDCDLP CCOc1cccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1O ZINC000373295477 250236023 /nfs/dbraw/zinc/23/60/23/250236023.db2.gz GNVLCEXVIVMOMY-UHFFFAOYSA-N 2 2 347.459 1.529 20 10 EDCDLP CCOc1cccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1O ZINC000373295477 250236028 /nfs/dbraw/zinc/23/60/28/250236028.db2.gz GNVLCEXVIVMOMY-UHFFFAOYSA-N 2 2 347.459 1.529 20 10 EDCDLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000186279871 442502535 /nfs/dbraw/zinc/50/25/35/442502535.db2.gz RABSHGBRSPAIPS-DOTOQJQBSA-N 2 2 347.459 1.366 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000295268649 444174322 /nfs/dbraw/zinc/17/43/22/444174322.db2.gz VLKAFOXMPFYQGM-OAHLLOKOSA-N 2 2 346.475 1.074 20 10 EDCDLP CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651447 580932811 /nfs/dbraw/zinc/93/28/11/580932811.db2.gz YTJQJMIHBCIFJU-SJLPKXTDSA-N 2 2 333.476 1.662 20 10 EDCDLP CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651447 580932812 /nfs/dbraw/zinc/93/28/12/580932812.db2.gz YTJQJMIHBCIFJU-SJLPKXTDSA-N 2 2 333.476 1.662 20 10 EDCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519467 592009676 /nfs/dbraw/zinc/00/96/76/592009676.db2.gz ZNXANWYBOYGACZ-RCCFBDPRSA-N 2 2 348.491 1.239 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841779814 594950869 /nfs/dbraw/zinc/95/08/69/594950869.db2.gz ZMVULECFDKEDFS-HNNXBMFYSA-N 2 2 346.475 1.963 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841779189 594951113 /nfs/dbraw/zinc/95/11/13/594951113.db2.gz NBFSPGRVMFNPOU-KSSFIOAISA-N 2 2 346.475 1.961 20 10 EDCDLP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063367 595277546 /nfs/dbraw/zinc/27/75/46/595277546.db2.gz ABDHNHMPXMQJDY-SIEMBAAWSA-N 2 2 342.487 1.662 20 10 EDCDLP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063367 595277548 /nfs/dbraw/zinc/27/75/48/595277548.db2.gz ABDHNHMPXMQJDY-SIEMBAAWSA-N 2 2 342.487 1.662 20 10 EDCDLP CCOc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843066424 595279420 /nfs/dbraw/zinc/27/94/20/595279420.db2.gz XAMYQNLTVDXAQB-HNNXBMFYSA-N 2 2 333.432 1.187 20 10 EDCDLP OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000854230801 596008669 /nfs/dbraw/zinc/00/86/69/596008669.db2.gz YYMIMCBAGPDIJS-WOJBJXKFSA-N 2 2 345.487 1.504 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC000872250274 596853596 /nfs/dbraw/zinc/85/35/96/596853596.db2.gz HIEMFVQXVVOSBI-MJGOQNOKSA-N 2 2 345.487 1.710 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427691 /nfs/dbraw/zinc/42/76/91/447427691.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427694 /nfs/dbraw/zinc/42/76/94/447427694.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427697 /nfs/dbraw/zinc/42/76/97/447427697.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427703 /nfs/dbraw/zinc/42/77/03/447427703.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 2 2 333.476 1.537 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000365013007 445975354 /nfs/dbraw/zinc/97/53/54/445975354.db2.gz BAJAJGVXFLRNDP-UHFFFAOYSA-N 2 2 330.476 1.491 20 10 EDCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491383 579950932 /nfs/dbraw/zinc/95/09/32/579950932.db2.gz VGUUKZRYOWMIRK-AWEZNQCLSA-N 2 2 331.460 1.696 20 10 EDCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762567143 580077756 /nfs/dbraw/zinc/07/77/56/580077756.db2.gz AUGBZYOVMVGWDS-CQSZACIVSA-N 2 2 329.238 1.619 20 10 EDCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000762567143 580077757 /nfs/dbraw/zinc/07/77/57/580077757.db2.gz AUGBZYOVMVGWDS-CQSZACIVSA-N 2 2 329.238 1.619 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000891489360 591092027 /nfs/dbraw/zinc/09/20/27/591092027.db2.gz RJCXMTPGCJCVDX-HOCLYGCPSA-N 2 2 330.432 1.420 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891391 593645735 /nfs/dbraw/zinc/64/57/35/593645735.db2.gz BMIFSXARUMLAAT-RHSMWYFYSA-N 2 2 337.489 1.009 20 10 EDCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000818966667 593730989 /nfs/dbraw/zinc/73/09/89/593730989.db2.gz MMDCYSDDCCFHEJ-INIZCTEOSA-N 2 2 337.439 1.207 20 10 EDCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000818966667 593730990 /nfs/dbraw/zinc/73/09/90/593730990.db2.gz MMDCYSDDCCFHEJ-INIZCTEOSA-N 2 2 337.439 1.207 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000841846689 594963914 /nfs/dbraw/zinc/96/39/14/594963914.db2.gz SJOQOXHNCWJQQO-DOTOQJQBSA-N 2 2 348.397 1.847 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1F ZINC000365013008 445975156 /nfs/dbraw/zinc/97/51/56/445975156.db2.gz BBBNIUKUCWYXGB-UHFFFAOYSA-N 2 2 348.466 1.630 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1F ZINC000365013008 445975164 /nfs/dbraw/zinc/97/51/64/445975164.db2.gz BBBNIUKUCWYXGB-UHFFFAOYSA-N 2 2 348.466 1.630 20 10 EDCDLP COc1c(O)c(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000365803218 446348804 /nfs/dbraw/zinc/34/88/04/446348804.db2.gz AFTWZTLQCIEVKV-GFCCVEGCSA-N 2 2 332.360 1.919 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000779217443 580481325 /nfs/dbraw/zinc/48/13/25/580481325.db2.gz HLCAQVYSESIQLL-MJGOQNOKSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000779217443 580481326 /nfs/dbraw/zinc/48/13/26/580481326.db2.gz HLCAQVYSESIQLL-MJGOQNOKSA-N 2 2 347.503 1.910 20 10 EDCDLP C[C@@H]1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)S1=O ZINC000792192497 580813013 /nfs/dbraw/zinc/81/30/13/580813013.db2.gz OOEBBRGHXUBGQW-HZPDHXFCSA-N 2 2 335.517 1.780 20 10 EDCDLP CO[C@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC000898449689 591352861 /nfs/dbraw/zinc/35/28/61/591352861.db2.gz JETNFOVJEHQDNK-YTQUADARSA-N 2 2 335.492 1.996 20 10 EDCDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(Cl)c3O)cn2)CC1 ZINC000898218338 591822264 /nfs/dbraw/zinc/82/22/64/591822264.db2.gz FDIAYOGKIQWQRZ-UHFFFAOYSA-N 2 2 347.850 1.877 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)[NH+](C)C)cc1 ZINC000903448576 592173208 /nfs/dbraw/zinc/17/32/08/592173208.db2.gz PZVWFLWZPRWILP-GBESFXJTSA-N 2 2 333.476 1.893 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903857518 592347911 /nfs/dbraw/zinc/34/79/11/592347911.db2.gz VETWMJGVHVMOCW-LPHOPBHVSA-N 2 2 330.476 1.524 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903857518 592347912 /nfs/dbraw/zinc/34/79/12/592347912.db2.gz VETWMJGVHVMOCW-LPHOPBHVSA-N 2 2 330.476 1.524 20 10 EDCDLP CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[NH+](C)C)cc1 ZINC000905705154 592617772 /nfs/dbraw/zinc/61/77/72/592617772.db2.gz QLTGCVYNLYPEKC-ZWKOTPCHSA-N 2 2 331.464 1.203 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000911666391 592973884 /nfs/dbraw/zinc/97/38/84/592973884.db2.gz IIODQXVVVKQZQZ-OAGGEKHMSA-N 2 2 327.432 1.406 20 10 EDCDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000817888735 593645549 /nfs/dbraw/zinc/64/55/49/593645549.db2.gz JSWIUQUBVCZQLG-QILLFSRXSA-N 2 2 330.476 1.618 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000846707037 595305105 /nfs/dbraw/zinc/30/51/05/595305105.db2.gz CJBUHZOEQKVQQQ-JKSUJKDBSA-N 2 2 346.475 1.155 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000846707037 595305107 /nfs/dbraw/zinc/30/51/07/595305107.db2.gz CJBUHZOEQKVQQQ-JKSUJKDBSA-N 2 2 346.475 1.155 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336902 595712561 /nfs/dbraw/zinc/71/25/61/595712561.db2.gz UYLANPPFYXAYCY-GFCCVEGCSA-N 2 2 325.840 1.723 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336902 595712565 /nfs/dbraw/zinc/71/25/65/595712565.db2.gz UYLANPPFYXAYCY-GFCCVEGCSA-N 2 2 325.840 1.723 20 10 EDCDLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1O ZINC000111235187 595731047 /nfs/dbraw/zinc/73/10/47/595731047.db2.gz MNJFLTRJILOOCM-UHFFFAOYSA-N 2 2 335.448 1.051 20 10 EDCDLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1O ZINC000111235187 595731049 /nfs/dbraw/zinc/73/10/49/595731049.db2.gz MNJFLTRJILOOCM-UHFFFAOYSA-N 2 2 335.448 1.051 20 10 EDCDLP CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175553097 529781593 /nfs/dbraw/zinc/78/15/93/529781593.db2.gz JDDGKNLJYPYEFZ-UHFFFAOYSA-N 2 2 347.507 1.578 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664460 237023429 /nfs/dbraw/zinc/02/34/29/237023429.db2.gz GNZSCFJUNLQHSK-LJQANCHMSA-N 2 2 345.487 1.677 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664460 237023439 /nfs/dbraw/zinc/02/34/39/237023439.db2.gz GNZSCFJUNLQHSK-LJQANCHMSA-N 2 2 345.487 1.677 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152386651 442205809 /nfs/dbraw/zinc/20/58/09/442205809.db2.gz WOYVQFUFLCMTPM-SFHVURJKSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152386651 442205812 /nfs/dbraw/zinc/20/58/12/442205812.db2.gz WOYVQFUFLCMTPM-SFHVURJKSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152386651 442205817 /nfs/dbraw/zinc/20/58/17/442205817.db2.gz WOYVQFUFLCMTPM-SFHVURJKSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152386651 442205820 /nfs/dbraw/zinc/20/58/20/442205820.db2.gz WOYVQFUFLCMTPM-SFHVURJKSA-N 2 2 346.519 1.985 20 10 EDCDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000186064024 443305343 /nfs/dbraw/zinc/30/53/43/443305343.db2.gz RIPFZFTZAMUXCN-CVEARBPZSA-N 2 2 347.459 1.284 20 10 EDCDLP COc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c(O)c1 ZINC000370032610 446177839 /nfs/dbraw/zinc/17/78/39/446177839.db2.gz VRLMPHVFFSFHSF-UHFFFAOYSA-N 2 2 349.475 1.287 20 10 EDCDLP COc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c(O)c1 ZINC000370032610 446177844 /nfs/dbraw/zinc/17/78/44/446177844.db2.gz VRLMPHVFFSFHSF-UHFFFAOYSA-N 2 2 349.475 1.287 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051390 579894930 /nfs/dbraw/zinc/89/49/30/579894930.db2.gz UEKSJZCEANYSKN-SJLPKXTDSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051390 579894931 /nfs/dbraw/zinc/89/49/31/579894931.db2.gz UEKSJZCEANYSKN-SJLPKXTDSA-N 2 2 333.476 1.662 20 10 EDCDLP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754056209 579895145 /nfs/dbraw/zinc/89/51/45/579895145.db2.gz ABDIQOOPSXKJEC-WMZOPIPTSA-N 2 2 335.492 1.908 20 10 EDCDLP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754056209 579895146 /nfs/dbraw/zinc/89/51/46/579895146.db2.gz ABDIQOOPSXKJEC-WMZOPIPTSA-N 2 2 335.492 1.908 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000756399510 579949313 /nfs/dbraw/zinc/94/93/13/579949313.db2.gz QIYKXLAMBSKSNL-AWEZNQCLSA-N 2 2 349.475 1.855 20 10 EDCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491384 579950981 /nfs/dbraw/zinc/95/09/81/579950981.db2.gz VGUUKZRYOWMIRK-CQSZACIVSA-N 2 2 331.460 1.696 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+](C)C)cc1 ZINC000898450153 591353362 /nfs/dbraw/zinc/35/33/62/591353362.db2.gz OPOQLIGQQIEAHE-KRWDZBQOSA-N 2 2 333.480 1.488 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897891 593647081 /nfs/dbraw/zinc/64/70/81/593647081.db2.gz XMRUDEBHGKHHRL-INIZCTEOSA-N 3 2 332.492 1.405 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[N@@H+]3CCCO)cc2)CC1 ZINC000824564328 594039544 /nfs/dbraw/zinc/03/95/44/594039544.db2.gz IXPVRWWMFBVQKH-HXUWFJFHSA-N 3 2 346.519 1.375 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[N@H+]3CCCO)cc2)CC1 ZINC000824564328 594039545 /nfs/dbraw/zinc/03/95/45/594039545.db2.gz IXPVRWWMFBVQKH-HXUWFJFHSA-N 3 2 346.519 1.375 20 10 EDCDLP COC[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCC[NH2+]1 ZINC000841066762 594846706 /nfs/dbraw/zinc/84/67/06/594846706.db2.gz GTFGECLVPUTQCA-OAHLLOKOSA-N 2 2 325.365 1.167 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000842475060 595114357 /nfs/dbraw/zinc/11/43/57/595114357.db2.gz JUTNXVQDWHMNBT-HNNXBMFYSA-N 2 2 337.851 1.728 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000842475060 595114360 /nfs/dbraw/zinc/11/43/60/595114360.db2.gz JUTNXVQDWHMNBT-HNNXBMFYSA-N 2 2 337.851 1.728 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000846707030 595305068 /nfs/dbraw/zinc/30/50/68/595305068.db2.gz CJBUHZOEQKVQQQ-CVEARBPZSA-N 2 2 346.475 1.155 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000846707030 595305070 /nfs/dbraw/zinc/30/50/70/595305070.db2.gz CJBUHZOEQKVQQQ-CVEARBPZSA-N 2 2 346.475 1.155 20 10 EDCDLP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cn1cccn1 ZINC000873006805 597158269 /nfs/dbraw/zinc/15/82/69/597158269.db2.gz RVMGEMLRPAQHSZ-UHFFFAOYSA-N 2 2 344.459 1.752 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1C ZINC000939400500 699549667 /nfs/dbraw/zinc/54/96/67/699549667.db2.gz OMYHVMFXIHMLNS-GDBMZVCRSA-N 2 2 342.443 1.906 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC=C(C)CC3)CC2)cc1 ZINC000754075881 579895741 /nfs/dbraw/zinc/89/57/41/579895741.db2.gz RJKPQJWMAWZNPY-LJQANCHMSA-N 2 2 345.487 1.830 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC=C(C)CC3)CC2)cc1 ZINC000754075881 579895742 /nfs/dbraw/zinc/89/57/42/579895742.db2.gz RJKPQJWMAWZNPY-LJQANCHMSA-N 2 2 345.487 1.830 20 10 EDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000762786602 580083161 /nfs/dbraw/zinc/08/31/61/580083161.db2.gz JWVKZIYZGRYIQB-HZMBPMFUSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000762786602 580083162 /nfs/dbraw/zinc/08/31/62/580083162.db2.gz JWVKZIYZGRYIQB-HZMBPMFUSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000783535331 580601043 /nfs/dbraw/zinc/60/10/43/580601043.db2.gz LVQURFXMJJBAGF-UKRRQHHQSA-N 2 2 328.416 1.968 20 10 EDCDLP COc1cc(C)cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c1O ZINC000894228668 591237768 /nfs/dbraw/zinc/23/77/68/591237768.db2.gz BWUVWJKHNGUEJV-UHFFFAOYSA-N 2 2 335.448 1.351 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817892463 593646180 /nfs/dbraw/zinc/64/61/80/593646180.db2.gz AEGASODEPWMWSR-QFBILLFUSA-N 2 2 332.492 1.547 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]3CC3(C)C)CC2)cc1 ZINC000819060088 593736647 /nfs/dbraw/zinc/73/66/47/593736647.db2.gz MYVXFWJTCNMDPP-WMZOPIPTSA-N 2 2 347.503 1.814 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)cc2)CC1 ZINC000824582587 594042343 /nfs/dbraw/zinc/04/23/43/594042343.db2.gz ATQAXBJCCSMJGV-FQEVSTJZSA-N 3 2 346.519 1.375 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)cc2)CC1 ZINC000824582587 594042344 /nfs/dbraw/zinc/04/23/44/594042344.db2.gz ATQAXBJCCSMJGV-FQEVSTJZSA-N 3 2 346.519 1.375 20 10 EDCDLP CCOc1cccc(C[NH+]2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000877669769 597546626 /nfs/dbraw/zinc/54/66/26/597546626.db2.gz YMOHWKWCPJSKID-IAGOWNOFSA-N 3 2 335.492 1.962 20 10 EDCDLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1C ZINC000939211468 699359878 /nfs/dbraw/zinc/35/98/78/699359878.db2.gz SDJUHDUNWXWQCT-PBHICJAKSA-N 2 2 342.443 1.906 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219988 /nfs/dbraw/zinc/21/99/88/250219988.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219991 /nfs/dbraw/zinc/21/99/91/250219991.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219994 /nfs/dbraw/zinc/21/99/94/250219994.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219996 /nfs/dbraw/zinc/21/99/96/250219996.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 2 2 346.519 1.589 20 10 EDCDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271186226 443494938 /nfs/dbraw/zinc/49/49/38/443494938.db2.gz NGXJVIBWSYGVBQ-OAHLLOKOSA-N 2 2 337.851 1.784 20 10 EDCDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271186226 443494944 /nfs/dbraw/zinc/49/49/44/443494944.db2.gz NGXJVIBWSYGVBQ-OAHLLOKOSA-N 2 2 337.851 1.784 20 10 EDCDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000275636830 443635616 /nfs/dbraw/zinc/63/56/16/443635616.db2.gz SSOASKDBGHBPBZ-DOMZBBRYSA-N 2 2 331.372 1.864 20 10 EDCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000781635334 580553552 /nfs/dbraw/zinc/55/35/52/580553552.db2.gz GCSXJOLHWATCRR-CQSZACIVSA-N 2 2 331.254 1.865 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000799738047 581035731 /nfs/dbraw/zinc/03/57/31/581035731.db2.gz RZCZVBFSTOMRAR-IBGZPJMESA-N 2 2 331.460 1.430 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000799738047 581035732 /nfs/dbraw/zinc/03/57/32/581035732.db2.gz RZCZVBFSTOMRAR-IBGZPJMESA-N 2 2 331.460 1.430 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(N4CCCC4=O)C3)cc2)CC1 ZINC000897783672 591666731 /nfs/dbraw/zinc/66/67/31/591666731.db2.gz HPJBXYGSUVQRBZ-UHFFFAOYSA-N 2 2 328.460 1.245 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000815163880 593618867 /nfs/dbraw/zinc/61/88/67/593618867.db2.gz RWTGYYKLLOINNH-JZXOWHBKSA-N 2 2 333.476 1.518 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000815163880 593618869 /nfs/dbraw/zinc/61/88/69/593618869.db2.gz RWTGYYKLLOINNH-JZXOWHBKSA-N 2 2 333.476 1.518 20 10 EDCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843063521 595277844 /nfs/dbraw/zinc/27/78/44/595277844.db2.gz BVYLQPOKQGBZQY-ZDUSSCGKSA-N 2 2 341.814 1.581 20 10 EDCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843063521 595277848 /nfs/dbraw/zinc/27/78/48/595277848.db2.gz BVYLQPOKQGBZQY-ZDUSSCGKSA-N 2 2 341.814 1.581 20 10 EDCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000843065571 595278324 /nfs/dbraw/zinc/27/83/24/595278324.db2.gz NTOZWQNYMAUVOH-OAHLLOKOSA-N 2 2 334.439 1.288 20 10 EDCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000843065571 595278325 /nfs/dbraw/zinc/27/83/25/595278325.db2.gz NTOZWQNYMAUVOH-OAHLLOKOSA-N 2 2 334.439 1.288 20 10 EDCDLP CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(O)c1 ZINC000843065900 595279117 /nfs/dbraw/zinc/27/91/17/595279117.db2.gz RCTWTWOYXWKWIE-HNNXBMFYSA-N 2 2 333.432 1.187 20 10 EDCDLP C[C@@H](C[NH2+]Cc1c(O)cccc1Br)N1CC[NH+](C)CC1 ZINC000858126942 595707062 /nfs/dbraw/zinc/70/70/62/595707062.db2.gz NZDBVGWORBJKQN-LBPRGKRZSA-N 2 2 342.281 1.880 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000866670109 596286844 /nfs/dbraw/zinc/28/68/44/596286844.db2.gz AQQYLGGDJVEFCQ-QGZVFWFLSA-N 2 2 332.492 1.914 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000866670109 596286846 /nfs/dbraw/zinc/28/68/46/596286846.db2.gz AQQYLGGDJVEFCQ-QGZVFWFLSA-N 2 2 332.492 1.914 20 10 EDCDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC000091974460 530015679 /nfs/dbraw/zinc/01/56/79/530015679.db2.gz NSVUAKFPRBYHQY-UHFFFAOYSA-N 2 2 327.432 1.566 20 10 EDCDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC000091974460 530015681 /nfs/dbraw/zinc/01/56/81/530015681.db2.gz NSVUAKFPRBYHQY-UHFFFAOYSA-N 2 2 327.432 1.566 20 10 EDCDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000378207221 250298726 /nfs/dbraw/zinc/29/87/26/250298726.db2.gz CDKBHNRKWSFHHQ-KRWDZBQOSA-N 2 2 333.432 1.111 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293653717 295111225 /nfs/dbraw/zinc/11/12/25/295111225.db2.gz OZCCMHHGANLRIT-ZDUSSCGKSA-N 2 2 329.803 1.614 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293653717 295111227 /nfs/dbraw/zinc/11/12/27/295111227.db2.gz OZCCMHHGANLRIT-ZDUSSCGKSA-N 2 2 329.803 1.614 20 10 EDCDLP Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000177355615 442331422 /nfs/dbraw/zinc/33/14/22/442331422.db2.gz KNMNSQRSTOWMGU-KRWDZBQOSA-N 2 2 347.459 1.032 20 10 EDCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409622 443572036 /nfs/dbraw/zinc/57/20/36/443572036.db2.gz PGLOWCRDZCVATH-ZDUSSCGKSA-N 2 2 336.432 1.940 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000891245774 591014661 /nfs/dbraw/zinc/01/46/61/591014661.db2.gz IZLOWUIFWKEIKN-NUJGCVRESA-N 2 2 341.459 1.998 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000891245774 591014665 /nfs/dbraw/zinc/01/46/65/591014665.db2.gz IZLOWUIFWKEIKN-NUJGCVRESA-N 2 2 341.459 1.998 20 10 EDCDLP COc1c(N)[nH+]cnc1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897522719 591523205 /nfs/dbraw/zinc/52/32/05/591523205.db2.gz NTJCAQGZOZOESE-CQSZACIVSA-N 2 2 330.436 1.848 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000895550315 591803705 /nfs/dbraw/zinc/80/37/05/591803705.db2.gz GCTTTZJCUNGHHM-UHFFFAOYSA-N 2 2 347.459 1.707 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917977 592390665 /nfs/dbraw/zinc/39/06/65/592390665.db2.gz PMKAGRLCIGQFGD-FUHWJXTLSA-N 3 2 343.479 1.058 20 10 EDCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825160220 594138715 /nfs/dbraw/zinc/13/87/15/594138715.db2.gz PCFMKCSLAYDEFS-UHFFFAOYSA-N 2 2 342.237 1.018 20 10 EDCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843063519 595277685 /nfs/dbraw/zinc/27/76/85/595277685.db2.gz BVYLQPOKQGBZQY-CYBMUJFWSA-N 2 2 341.814 1.581 20 10 EDCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843063519 595277686 /nfs/dbraw/zinc/27/76/86/595277686.db2.gz BVYLQPOKQGBZQY-CYBMUJFWSA-N 2 2 341.814 1.581 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000858126861 595706570 /nfs/dbraw/zinc/70/65/70/595706570.db2.gz LMLFXKNEQOCNTG-UONOGXRCSA-N 2 2 325.403 1.984 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000858126861 595706573 /nfs/dbraw/zinc/70/65/73/595706573.db2.gz LMLFXKNEQOCNTG-UONOGXRCSA-N 2 2 325.403 1.984 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1OC ZINC000180248298 442565638 /nfs/dbraw/zinc/56/56/38/442565638.db2.gz UCGKUTDEZSDPLB-UHFFFAOYSA-N 2 2 338.448 1.688 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1OC ZINC000180248298 442565641 /nfs/dbraw/zinc/56/56/41/442565641.db2.gz UCGKUTDEZSDPLB-UHFFFAOYSA-N 2 2 338.448 1.688 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000762786607 580083113 /nfs/dbraw/zinc/08/31/13/580083113.db2.gz JWVKZIYZGRYIQB-YGRLFVJLSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000762786607 580083114 /nfs/dbraw/zinc/08/31/14/580083114.db2.gz JWVKZIYZGRYIQB-YGRLFVJLSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790175 580083350 /nfs/dbraw/zinc/08/33/50/580083350.db2.gz XWLDAFWFIDESFO-KBXCAEBGSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790175 580083351 /nfs/dbraw/zinc/08/33/51/580083351.db2.gz XWLDAFWFIDESFO-KBXCAEBGSA-N 2 2 337.439 1.380 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3CC3(C)C)CC2)cc1 ZINC000819060086 593736676 /nfs/dbraw/zinc/73/66/76/593736676.db2.gz MYVXFWJTCNMDPP-FUHWJXTLSA-N 2 2 347.503 1.814 20 10 EDCDLP Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000834590127 595169841 /nfs/dbraw/zinc/16/98/41/595169841.db2.gz RBDWXPVKYHIRRR-DLBZAZTESA-N 2 2 331.460 1.376 20 10 EDCDLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CC[NH2+]CC1 ZINC000843047599 595272578 /nfs/dbraw/zinc/27/25/78/595272578.db2.gz YPYUUIDDHONNDX-CQSZACIVSA-N 2 2 337.851 1.689 20 10 EDCDLP O=C([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)N1CC[NH2+]CC1 ZINC000843047599 595272580 /nfs/dbraw/zinc/27/25/80/595272580.db2.gz YPYUUIDDHONNDX-CQSZACIVSA-N 2 2 337.851 1.689 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3CC=CC3)CC2)cc1 ZINC000863570147 596621174 /nfs/dbraw/zinc/62/11/74/596621174.db2.gz DNAAWVULOFLVFC-IBGZPJMESA-N 2 2 345.487 1.734 20 10 EDCDLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Cn1cccn1 ZINC000873094443 597190909 /nfs/dbraw/zinc/19/09/09/597190909.db2.gz IUNSRRWITOPUMC-SFHVURJKSA-N 2 2 332.448 1.342 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cnnn3C)CC2)cc1 ZINC000267487510 443474794 /nfs/dbraw/zinc/47/47/94/443474794.db2.gz CASZZAKMCODSQS-UHFFFAOYSA-N 2 2 344.463 1.126 20 10 EDCDLP COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000365218669 446083870 /nfs/dbraw/zinc/08/38/70/446083870.db2.gz HVFXVRWOTOUUAR-QGZVFWFLSA-N 2 2 335.448 1.486 20 10 EDCDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(OC)c3O)CC2)C1 ZINC000371380193 446818864 /nfs/dbraw/zinc/81/88/64/446818864.db2.gz QPLYEQYGDBOKAT-QGZVFWFLSA-N 2 2 349.475 1.239 20 10 EDCDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(OC)c3O)CC2)C1 ZINC000371380193 446818870 /nfs/dbraw/zinc/81/88/70/446818870.db2.gz QPLYEQYGDBOKAT-QGZVFWFLSA-N 2 2 349.475 1.239 20 10 EDCDLP Cn1cc[nH+]c1CN1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371419213 446843543 /nfs/dbraw/zinc/84/35/43/446843543.db2.gz SVTYGCORKMVLIS-UHFFFAOYSA-N 2 2 344.415 1.562 20 10 EDCDLP Cn1cc[nH+]c1CN1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371419213 446843549 /nfs/dbraw/zinc/84/35/49/446843549.db2.gz SVTYGCORKMVLIS-UHFFFAOYSA-N 2 2 344.415 1.562 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cn(C)nn3)CC2)cc1 ZINC000742366636 579450199 /nfs/dbraw/zinc/45/01/99/579450199.db2.gz NBFJBNZNNNMLSL-UHFFFAOYSA-N 2 2 344.463 1.126 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000756108231 579943644 /nfs/dbraw/zinc/94/36/44/579943644.db2.gz UXVOKLHIUONIOK-APWZRJJASA-N 2 2 332.492 1.357 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000756108231 579943645 /nfs/dbraw/zinc/94/36/45/579943645.db2.gz UXVOKLHIUONIOK-APWZRJJASA-N 2 2 332.492 1.357 20 10 EDCDLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(N(C)C)cc1 ZINC000772174396 580304662 /nfs/dbraw/zinc/30/46/62/580304662.db2.gz HXZSDGFEAXXOAT-UHFFFAOYSA-N 2 2 332.492 1.737 20 10 EDCDLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(N(C)C)cc1 ZINC000772174396 580304663 /nfs/dbraw/zinc/30/46/63/580304663.db2.gz HXZSDGFEAXXOAT-UHFFFAOYSA-N 2 2 332.492 1.737 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CCCCO)CC3)cc2)CC1 ZINC000775690229 580397275 /nfs/dbraw/zinc/39/72/75/580397275.db2.gz LOAGCTRTPWONPJ-UHFFFAOYSA-N 2 2 346.519 1.329 20 10 EDCDLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715483 580398330 /nfs/dbraw/zinc/39/83/30/580398330.db2.gz ZFAARJAKKYDSFY-VBURHUQHSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715483 580398331 /nfs/dbraw/zinc/39/83/31/580398331.db2.gz ZFAARJAKKYDSFY-VBURHUQHSA-N 2 2 335.517 1.780 20 10 EDCDLP CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651443 580932875 /nfs/dbraw/zinc/93/28/75/580932875.db2.gz YTJQJMIHBCIFJU-FUHWJXTLSA-N 2 2 333.476 1.662 20 10 EDCDLP CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651443 580932876 /nfs/dbraw/zinc/93/28/76/580932876.db2.gz YTJQJMIHBCIFJU-FUHWJXTLSA-N 2 2 333.476 1.662 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000891241253 591013081 /nfs/dbraw/zinc/01/30/81/591013081.db2.gz AAERWKWAIRCUFX-VEGGFIAOSA-N 2 2 341.459 1.918 20 10 EDCDLP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1OC ZINC000897229548 591779684 /nfs/dbraw/zinc/77/96/84/591779684.db2.gz UXAMGUZWHCRHCH-HNNXBMFYSA-N 2 2 336.432 1.752 20 10 EDCDLP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1OC ZINC000897229548 591779686 /nfs/dbraw/zinc/77/96/86/591779686.db2.gz UXAMGUZWHCRHCH-HNNXBMFYSA-N 2 2 336.432 1.752 20 10 EDCDLP CN(C)C(=O)N1CCC([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841046236 594843728 /nfs/dbraw/zinc/84/37/28/594843728.db2.gz YEKZWNBCSVFOCW-QGZVFWFLSA-N 2 2 333.480 1.488 20 10 EDCDLP C[NH2+]C1CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000844218558 595304906 /nfs/dbraw/zinc/30/49/06/595304906.db2.gz COFOJCJMGCWGHS-UHFFFAOYSA-N 2 2 346.475 1.028 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844224633 595308376 /nfs/dbraw/zinc/30/83/76/595308376.db2.gz RYFBTTYWYFSNPE-LJQANCHMSA-N 2 2 330.476 1.444 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844224633 595308379 /nfs/dbraw/zinc/30/83/79/595308379.db2.gz RYFBTTYWYFSNPE-LJQANCHMSA-N 2 2 330.476 1.444 20 10 EDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230409 596008852 /nfs/dbraw/zinc/00/88/52/596008852.db2.gz OXRTXIPZDVGDKE-RDJZCZTQSA-N 2 2 333.476 1.504 20 10 EDCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000359959165 201118981 /nfs/dbraw/zinc/11/89/81/201118981.db2.gz LRYWEOPPMNNJSI-HOTGVXAUSA-N 2 2 349.475 1.458 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372416134 250219025 /nfs/dbraw/zinc/21/90/25/250219025.db2.gz MRORPXHOKSAXFU-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372416134 250219029 /nfs/dbraw/zinc/21/90/29/250219029.db2.gz MRORPXHOKSAXFU-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372416134 250219030 /nfs/dbraw/zinc/21/90/30/250219030.db2.gz MRORPXHOKSAXFU-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372416134 250219033 /nfs/dbraw/zinc/21/90/33/250219033.db2.gz MRORPXHOKSAXFU-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000756488277 579950907 /nfs/dbraw/zinc/95/09/07/579950907.db2.gz BXJYMGLHPFQXDS-CQSZACIVSA-N 2 2 327.428 1.970 20 10 EDCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)cc(F)c1O ZINC000817984025 593653607 /nfs/dbraw/zinc/65/36/07/593653607.db2.gz UXLOOEQNPNSELO-WPRPVWTQSA-N 2 2 333.201 1.933 20 10 EDCDLP COc1cccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000846147990 595156894 /nfs/dbraw/zinc/15/68/94/595156894.db2.gz WJEYQBSSYPSHFJ-JKSUJKDBSA-N 2 2 349.475 1.458 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000857843980 595630361 /nfs/dbraw/zinc/63/03/61/595630361.db2.gz AVQRCCYIWLOHRR-HOCLYGCPSA-N 2 2 327.432 1.328 20 10 EDCDLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000876506584 597224402 /nfs/dbraw/zinc/22/44/02/597224402.db2.gz MANUHCGHTDYDSK-DOTOQJQBSA-N 2 2 341.459 1.636 20 10 EDCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000359959167 201119189 /nfs/dbraw/zinc/11/91/89/201119189.db2.gz LRYWEOPPMNNJSI-HZPDHXFCSA-N 2 2 349.475 1.458 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118842677 441906818 /nfs/dbraw/zinc/90/68/18/441906818.db2.gz WERFTQJXSBWLQF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118842677 441906821 /nfs/dbraw/zinc/90/68/21/441906821.db2.gz WERFTQJXSBWLQF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118842677 441906823 /nfs/dbraw/zinc/90/68/23/441906823.db2.gz WERFTQJXSBWLQF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118842677 441906825 /nfs/dbraw/zinc/90/68/25/441906825.db2.gz WERFTQJXSBWLQF-KRWDZBQOSA-N 2 2 332.492 1.642 20 10 EDCDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000378563163 447442734 /nfs/dbraw/zinc/44/27/34/447442734.db2.gz XIPXEWFCGJYTQE-OAHLLOKOSA-N 2 2 347.459 1.647 20 10 EDCDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000378563163 447442740 /nfs/dbraw/zinc/44/27/40/447442740.db2.gz XIPXEWFCGJYTQE-OAHLLOKOSA-N 2 2 347.459 1.647 20 10 EDCDLP COc1cc(Cl)cc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000184670332 443056767 /nfs/dbraw/zinc/05/67/67/443056767.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 2 2 328.840 1.943 20 10 EDCDLP COc1cc(Cl)cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000184670332 443056772 /nfs/dbraw/zinc/05/67/72/443056772.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 2 2 328.840 1.943 20 10 EDCDLP COc1cccc(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)c1O ZINC000371418001 446841767 /nfs/dbraw/zinc/84/17/67/446841767.db2.gz XXOCBLUSCVVFAX-UHFFFAOYSA-N 2 2 330.432 1.842 20 10 EDCDLP COc1cccc(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)c1O ZINC000371418001 446841771 /nfs/dbraw/zinc/84/17/71/446841771.db2.gz XXOCBLUSCVVFAX-UHFFFAOYSA-N 2 2 330.432 1.842 20 10 EDCDLP CN(C)c1ccc(/C=C/CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc1 ZINC000904483687 592270378 /nfs/dbraw/zinc/27/03/78/592270378.db2.gz BKCVBRDPOOLDSR-UBZMYNMCSA-N 2 2 325.460 1.926 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843349013 595083122 /nfs/dbraw/zinc/08/31/22/595083122.db2.gz CTOLISDEHWSILU-UHFFFAOYSA-N 2 2 325.840 1.585 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843349013 595083125 /nfs/dbraw/zinc/08/31/25/595083125.db2.gz CTOLISDEHWSILU-UHFFFAOYSA-N 2 2 325.840 1.585 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000858225496 595735697 /nfs/dbraw/zinc/73/56/97/595735697.db2.gz GUCGLJZMWLKDTD-HNNXBMFYSA-N 2 2 340.418 1.460 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000858225496 595735699 /nfs/dbraw/zinc/73/56/99/595735699.db2.gz GUCGLJZMWLKDTD-HNNXBMFYSA-N 2 2 340.418 1.460 20 10 EDCDLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854003268 595948211 /nfs/dbraw/zinc/94/82/11/595948211.db2.gz GXYAMYKHAXCQNJ-MRXNPFEDSA-N 2 2 349.523 1.996 20 10 EDCDLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854003268 595948215 /nfs/dbraw/zinc/94/82/15/595948215.db2.gz GXYAMYKHAXCQNJ-MRXNPFEDSA-N 2 2 349.523 1.996 20 10 EDCDLP CCO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000922756093 704316103 /nfs/dbraw/zinc/31/61/03/704316103.db2.gz FKBBNPFWAFTLEN-INIZCTEOSA-N 2 2 339.455 1.719 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000102560293 237043096 /nfs/dbraw/zinc/04/30/96/237043096.db2.gz BJMJCZWUKMMGGG-UHFFFAOYSA-N 3 2 346.519 1.891 20 10 EDCDLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000292858128 443862450 /nfs/dbraw/zinc/86/24/50/443862450.db2.gz RGOKQSNADPUEDE-IBGZPJMESA-N 2 2 344.503 1.799 20 10 EDCDLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1N(C)C ZINC000292858128 443862455 /nfs/dbraw/zinc/86/24/55/443862455.db2.gz RGOKQSNADPUEDE-IBGZPJMESA-N 2 2 344.503 1.799 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000905704349 592617128 /nfs/dbraw/zinc/61/71/28/592617128.db2.gz NGMNOJOJUQXNCI-UFYCRDLUSA-N 2 2 349.519 1.857 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891390 593645641 /nfs/dbraw/zinc/64/56/41/593645641.db2.gz BMIFSXARUMLAAT-PBHICJAKSA-N 2 2 337.489 1.009 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCC3CC[NH2+]CC3)CC2)cc1 ZINC000841778711 594950646 /nfs/dbraw/zinc/95/06/46/594950646.db2.gz DNQGAOJCTGAHFI-UHFFFAOYSA-N 2 2 346.475 1.963 20 10 EDCDLP CCN(CC)c1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011125 595121822 /nfs/dbraw/zinc/12/18/22/595121822.db2.gz LNQMQTQNARTESC-UHFFFAOYSA-N 2 2 332.492 1.739 20 10 EDCDLP CCN(CC)c1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011125 595121824 /nfs/dbraw/zinc/12/18/24/595121824.db2.gz LNQMQTQNARTESC-UHFFFAOYSA-N 2 2 332.492 1.739 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]([NH3+])COC(C)C)CC2)cc1 ZINC000851630802 595861151 /nfs/dbraw/zinc/86/11/51/595861151.db2.gz RUJFBGRXUGFVSM-KRWDZBQOSA-N 2 2 335.448 1.533 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000852633399 596214246 /nfs/dbraw/zinc/21/42/46/596214246.db2.gz BHFLMRJNIHUCFE-LMMKCTJWSA-N 2 2 345.487 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000852633399 596214250 /nfs/dbraw/zinc/21/42/50/596214250.db2.gz BHFLMRJNIHUCFE-LMMKCTJWSA-N 2 2 345.487 1.520 20 10 EDCDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297972324 289020898 /nfs/dbraw/zinc/02/08/98/289020898.db2.gz ZXAOYQMQHZXHSW-HZPDHXFCSA-N 2 2 331.460 1.912 20 10 EDCDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297972324 289020900 /nfs/dbraw/zinc/02/09/00/289020900.db2.gz ZXAOYQMQHZXHSW-HZPDHXFCSA-N 2 2 331.460 1.912 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)[C@@H](O)CO2 ZINC000788381027 580719937 /nfs/dbraw/zinc/71/99/37/580719937.db2.gz UBOJEVXSRRLTKT-PBHICJAKSA-N 2 2 328.368 1.866 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)[C@@H](O)CO2 ZINC000788381027 580719938 /nfs/dbraw/zinc/71/99/38/580719938.db2.gz UBOJEVXSRRLTKT-PBHICJAKSA-N 2 2 328.368 1.866 20 10 EDCDLP CC(=O)N1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000898450743 591353278 /nfs/dbraw/zinc/35/32/78/591353278.db2.gz UBWDXSBXXZDICO-IBGZPJMESA-N 2 2 332.492 1.956 20 10 EDCDLP COCCCOC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839134711 593267912 /nfs/dbraw/zinc/26/79/12/593267912.db2.gz UZMGHDFGXGHWAE-UHFFFAOYSA-N 2 2 333.476 1.676 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888269 593645070 /nfs/dbraw/zinc/64/50/70/593645070.db2.gz CHNBPEFIWAZDTI-UWWQBHOKSA-N 2 2 330.476 1.476 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC3(O)CCC3)CC2)cc1 ZINC000818942796 593729318 /nfs/dbraw/zinc/72/93/18/593729318.db2.gz KCLFVYHAAYARQC-UHFFFAOYSA-N 2 2 333.476 1.712 20 10 EDCDLP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000827118333 594644093 /nfs/dbraw/zinc/64/40/93/594644093.db2.gz CAQFLLSHTHHHHK-HXUWFJFHSA-N 2 2 344.503 1.345 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000827118333 594644094 /nfs/dbraw/zinc/64/40/94/594644094.db2.gz CAQFLLSHTHHHHK-HXUWFJFHSA-N 2 2 344.503 1.345 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000841044261 594843837 /nfs/dbraw/zinc/84/38/37/594843837.db2.gz UWRFCEVTVHIKKK-SFHVURJKSA-N 2 2 342.443 1.406 20 10 EDCDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000834759797 595205493 /nfs/dbraw/zinc/20/54/93/595205493.db2.gz FWTCIYFELMTBKL-GJZGRUSLSA-N 2 2 340.427 1.894 20 10 EDCDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846677379 595299552 /nfs/dbraw/zinc/29/95/52/595299552.db2.gz OWBUHBFZLNSOSL-HOTGVXAUSA-N 2 2 335.448 1.179 20 10 EDCDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883160262 597671920 /nfs/dbraw/zinc/67/19/20/597671920.db2.gz KRNPPNPJFBGRBD-IBGZPJMESA-N 3 2 348.535 1.621 20 10 EDCDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883371085 597725735 /nfs/dbraw/zinc/72/57/35/597725735.db2.gz YOSDZKRCIRXOQA-DLBZAZTESA-N 2 2 333.476 1.839 20 10 EDCDLP COc1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1O ZINC000368051758 446622419 /nfs/dbraw/zinc/62/24/19/446622419.db2.gz PSVWQEQVHZTSDU-UHFFFAOYSA-N 2 2 349.475 1.287 20 10 EDCDLP COc1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1O ZINC000368051758 446622422 /nfs/dbraw/zinc/62/24/22/446622422.db2.gz PSVWQEQVHZTSDU-UHFFFAOYSA-N 2 2 349.475 1.287 20 10 EDCDLP Fc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1N1CCOCC1 ZINC000778188483 580458249 /nfs/dbraw/zinc/45/82/49/580458249.db2.gz HDWVHIPJBKFLKE-OAHLLOKOSA-N 2 2 330.407 1.963 20 10 EDCDLP CC[N@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000754044583 579894634 /nfs/dbraw/zinc/89/46/34/579894634.db2.gz ZPOXBIVCNUTQEN-IBGZPJMESA-N 2 2 347.503 1.910 20 10 EDCDLP CC[N@@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000754044583 579894635 /nfs/dbraw/zinc/89/46/35/579894635.db2.gz ZPOXBIVCNUTQEN-IBGZPJMESA-N 2 2 347.503 1.910 20 10 EDCDLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715477 580398322 /nfs/dbraw/zinc/39/83/22/580398322.db2.gz ZFAARJAKKYDSFY-CKNGIIGNSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715477 580398323 /nfs/dbraw/zinc/39/83/23/580398323.db2.gz ZFAARJAKKYDSFY-CKNGIIGNSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@H](O)CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848335 /nfs/dbraw/zinc/84/83/35/580848335.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 2 2 346.519 1.325 20 10 EDCDLP C[C@H](O)CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848336 /nfs/dbraw/zinc/84/83/36/580848336.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 2 2 346.519 1.325 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000891487748 591090638 /nfs/dbraw/zinc/09/06/38/591090638.db2.gz FSTPJVNJELEMHN-HDJSIYSDSA-N 2 2 332.448 1.701 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000841044259 594843773 /nfs/dbraw/zinc/84/37/73/594843773.db2.gz UWRFCEVTVHIKKK-GOSISDBHSA-N 2 2 342.443 1.406 20 10 EDCDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957603 594989411 /nfs/dbraw/zinc/98/94/11/594989411.db2.gz SEOUBBMXIVPGJR-UHFFFAOYSA-N 2 2 347.507 1.479 20 10 EDCDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957603 594989413 /nfs/dbraw/zinc/98/94/13/594989413.db2.gz SEOUBBMXIVPGJR-UHFFFAOYSA-N 2 2 347.507 1.479 20 10 EDCDLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000868290318 596770391 /nfs/dbraw/zinc/77/03/91/596770391.db2.gz LSKWEDCNZVQVRZ-LSDHHAIUSA-N 2 2 346.475 1.921 20 10 EDCDLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000868290318 596770393 /nfs/dbraw/zinc/77/03/93/596770393.db2.gz LSKWEDCNZVQVRZ-LSDHHAIUSA-N 2 2 346.475 1.921 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118842679 441906351 /nfs/dbraw/zinc/90/63/51/441906351.db2.gz WERFTQJXSBWLQF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118842679 441906358 /nfs/dbraw/zinc/90/63/58/441906358.db2.gz WERFTQJXSBWLQF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118842679 441906367 /nfs/dbraw/zinc/90/63/67/441906367.db2.gz WERFTQJXSBWLQF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118842679 441906371 /nfs/dbraw/zinc/90/63/71/441906371.db2.gz WERFTQJXSBWLQF-QGZVFWFLSA-N 2 2 332.492 1.642 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601736 443582259 /nfs/dbraw/zinc/58/22/59/443582259.db2.gz SBIHIKNBDDNJPS-CABCVRRESA-N 2 2 349.475 1.713 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273621909 443583368 /nfs/dbraw/zinc/58/33/68/443583368.db2.gz ZJSFNTRLBDEDKO-UONOGXRCSA-N 2 2 335.448 1.465 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277221856 443940828 /nfs/dbraw/zinc/94/08/28/443940828.db2.gz NYKNGXZMLUTRKD-KRWDZBQOSA-N 2 2 332.492 1.785 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277221856 443940832 /nfs/dbraw/zinc/94/08/32/443940832.db2.gz NYKNGXZMLUTRKD-KRWDZBQOSA-N 2 2 332.492 1.785 20 10 EDCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000756557942 579060664 /nfs/dbraw/zinc/06/06/64/579060664.db2.gz YOOQABPQHJLUPF-IUCAKERBSA-N 2 2 335.217 1.867 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000762786604 580083117 /nfs/dbraw/zinc/08/31/17/580083117.db2.gz JWVKZIYZGRYIQB-IINYFYTJSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000762786604 580083118 /nfs/dbraw/zinc/08/31/18/580083118.db2.gz JWVKZIYZGRYIQB-IINYFYTJSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790176 580083417 /nfs/dbraw/zinc/08/34/17/580083417.db2.gz XWLDAFWFIDESFO-KDOFPFPSSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790176 580083418 /nfs/dbraw/zinc/08/34/18/580083418.db2.gz XWLDAFWFIDESFO-KDOFPFPSSA-N 2 2 337.439 1.380 20 10 EDCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768945295 580224709 /nfs/dbraw/zinc/22/47/09/580224709.db2.gz HWRSEXYTCFGTEJ-UHFFFAOYSA-N 2 2 325.428 1.066 20 10 EDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768945295 580224710 /nfs/dbraw/zinc/22/47/10/580224710.db2.gz HWRSEXYTCFGTEJ-UHFFFAOYSA-N 2 2 325.428 1.066 20 10 EDCDLP COc1cccc(O)c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000769317576 580233511 /nfs/dbraw/zinc/23/35/11/580233511.db2.gz SVWJTFQNEHUQAO-UHFFFAOYSA-N 2 2 333.432 1.141 20 10 EDCDLP CCCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779214694 580481211 /nfs/dbraw/zinc/48/12/11/580481211.db2.gz DRKJAYQTFLOHGT-GOSISDBHSA-N 2 2 335.492 1.910 20 10 EDCDLP CCCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779214694 580481212 /nfs/dbraw/zinc/48/12/12/580481212.db2.gz DRKJAYQTFLOHGT-GOSISDBHSA-N 2 2 335.492 1.910 20 10 EDCDLP COc1ccc(O)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895688161 591249390 /nfs/dbraw/zinc/24/93/90/591249390.db2.gz LKDQBRJPZRXBTN-KRWDZBQOSA-N 2 2 349.475 1.287 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)cc1 ZINC000904353196 592237651 /nfs/dbraw/zinc/23/76/51/592237651.db2.gz IHRGUIJVTZNBOU-SFHVURJKSA-N 3 2 343.475 1.545 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841779185 594951107 /nfs/dbraw/zinc/95/11/07/594951107.db2.gz NBFSPGRVMFNPOU-KBXCAEBGSA-N 2 2 346.475 1.961 20 10 EDCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000834590130 595170227 /nfs/dbraw/zinc/17/02/27/595170227.db2.gz RBDWXPVKYHIRRR-SJORKVTESA-N 2 2 331.460 1.376 20 10 EDCDLP COc1ccc(N2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000846672403 595297747 /nfs/dbraw/zinc/29/77/47/595297747.db2.gz GVUIOODCGFDYTM-QGZVFWFLSA-N 2 2 334.464 1.013 20 10 EDCDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846677383 595299508 /nfs/dbraw/zinc/29/95/08/595299508.db2.gz OWBUHBFZLNSOSL-JKSUJKDBSA-N 2 2 335.448 1.179 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852865331 595584937 /nfs/dbraw/zinc/58/49/37/595584937.db2.gz ZKRCOSAXVZEPPT-IAGOWNOFSA-N 2 2 333.432 1.144 20 10 EDCDLP COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1O ZINC000237379314 249302632 /nfs/dbraw/zinc/30/26/32/249302632.db2.gz ARSUKOODPMEIQO-GOSISDBHSA-N 2 2 342.439 1.910 20 10 EDCDLP COc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1O ZINC000237379314 249302633 /nfs/dbraw/zinc/30/26/33/249302633.db2.gz ARSUKOODPMEIQO-GOSISDBHSA-N 2 2 342.439 1.910 20 10 EDCDLP CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1F ZINC000375250909 250280513 /nfs/dbraw/zinc/28/05/13/250280513.db2.gz XTZOULQGKYJVAA-RDTXWAMCSA-N 2 2 345.422 1.735 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273621906 443583528 /nfs/dbraw/zinc/58/35/28/443583528.db2.gz ZJSFNTRLBDEDKO-KBPBESRZSA-N 2 2 335.448 1.465 20 10 EDCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000359957145 445504075 /nfs/dbraw/zinc/50/40/75/445504075.db2.gz GNOHXFGAOUHVHW-DLBZAZTESA-N 2 2 333.476 1.758 20 10 EDCDLP COc1ccc(O)c(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000367718401 446578804 /nfs/dbraw/zinc/57/88/04/446578804.db2.gz GDNHFDKDRWNTTM-UHFFFAOYSA-N 2 2 330.432 1.842 20 10 EDCDLP COc1ccc(O)c(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000367718401 446578808 /nfs/dbraw/zinc/57/88/08/446578808.db2.gz GDNHFDKDRWNTTM-UHFFFAOYSA-N 2 2 330.432 1.842 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cn[nH]c3)CC2)cc1 ZINC000749917448 579743960 /nfs/dbraw/zinc/74/39/60/579743960.db2.gz ZDLBCLBLKITJSN-UHFFFAOYSA-N 2 2 329.448 1.720 20 10 EDCDLP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000754051893 579895014 /nfs/dbraw/zinc/89/50/14/579895014.db2.gz RWJURUAHVNCZLC-MJGOQNOKSA-N 2 2 347.503 1.910 20 10 EDCDLP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000754051893 579895015 /nfs/dbraw/zinc/89/50/15/579895015.db2.gz RWJURUAHVNCZLC-MJGOQNOKSA-N 2 2 347.503 1.910 20 10 EDCDLP Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727105 580398693 /nfs/dbraw/zinc/39/86/93/580398693.db2.gz IRXRYCZOGAQURS-GOSISDBHSA-N 2 2 340.475 1.904 20 10 EDCDLP Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727105 580398694 /nfs/dbraw/zinc/39/86/94/580398694.db2.gz IRXRYCZOGAQURS-GOSISDBHSA-N 2 2 340.475 1.904 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817894585 593646473 /nfs/dbraw/zinc/64/64/73/593646473.db2.gz NCICGVZTVAUJPI-RBUKOAKNSA-N 2 2 331.460 1.380 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000841044232 594843825 /nfs/dbraw/zinc/84/38/25/594843825.db2.gz UODBEOPKCDQOOS-GOSISDBHSA-N 2 2 340.475 1.932 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844223571 595308029 /nfs/dbraw/zinc/30/80/29/595308029.db2.gz CQISGFDMABMRET-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844223571 595308032 /nfs/dbraw/zinc/30/80/32/595308032.db2.gz CQISGFDMABMRET-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555122 596197118 /nfs/dbraw/zinc/19/71/18/596197118.db2.gz JRYDXVORMBNBIV-UYAOXDASSA-N 2 2 347.503 1.956 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562230 596619970 /nfs/dbraw/zinc/61/99/70/596619970.db2.gz HXIJQKJVUXWTEP-BGYRXZFFSA-N 2 2 344.503 1.642 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562230 596619973 /nfs/dbraw/zinc/61/99/73/596619973.db2.gz HXIJQKJVUXWTEP-BGYRXZFFSA-N 2 2 344.503 1.642 20 10 EDCDLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882985062 597607042 /nfs/dbraw/zinc/60/70/42/597607042.db2.gz FMCJZXXZDXKFIG-NSHDSACASA-N 2 2 327.375 1.347 20 10 EDCDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093821112 530055992 /nfs/dbraw/zinc/05/59/92/530055992.db2.gz SELWGAYYRVPPFA-OAHLLOKOSA-N 2 2 337.851 1.784 20 10 EDCDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093821112 530055993 /nfs/dbraw/zinc/05/59/93/530055993.db2.gz SELWGAYYRVPPFA-OAHLLOKOSA-N 2 2 337.851 1.784 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960855 441212650 /nfs/dbraw/zinc/21/26/50/441212650.db2.gz NUENXJCMQCGARK-INIZCTEOSA-N 2 2 341.459 1.972 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960855 441212655 /nfs/dbraw/zinc/21/26/55/441212655.db2.gz NUENXJCMQCGARK-INIZCTEOSA-N 2 2 341.459 1.972 20 10 EDCDLP CC[C@H](C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000268887358 443137127 /nfs/dbraw/zinc/13/71/27/443137127.db2.gz ZEOXDTYZGWVDTO-GOSISDBHSA-N 2 2 348.491 1.274 20 10 EDCDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000359955045 445502938 /nfs/dbraw/zinc/50/29/38/445502938.db2.gz AQALRGFXVWHXPA-SJORKVTESA-N 2 2 333.476 1.758 20 10 EDCDLP COc1cc(Br)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000770394435 580259387 /nfs/dbraw/zinc/25/93/87/580259387.db2.gz IMCVXCYITAJBOV-QWRGUYRKSA-N 2 2 327.222 1.815 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)NCc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000894912512 591471661 /nfs/dbraw/zinc/47/16/61/591471661.db2.gz DWEYHEDYHKRVRT-KRWDZBQOSA-N 2 2 344.463 1.588 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC000900507936 592040510 /nfs/dbraw/zinc/04/05/10/592040510.db2.gz JXIGSNZFMRVKHX-APWZRJJASA-N 2 2 347.459 1.235 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000900507936 592040513 /nfs/dbraw/zinc/04/05/13/592040513.db2.gz JXIGSNZFMRVKHX-APWZRJJASA-N 2 2 347.459 1.235 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892589 593645992 /nfs/dbraw/zinc/64/59/92/593645992.db2.gz BFZKJFYYKPOLTJ-FXAWDEMLSA-N 2 2 346.519 1.937 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892589 593645993 /nfs/dbraw/zinc/64/59/93/593645993.db2.gz BFZKJFYYKPOLTJ-FXAWDEMLSA-N 2 2 346.519 1.937 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CCC3CC3)CC2)cc1 ZINC000819119497 593739943 /nfs/dbraw/zinc/73/99/43/593739943.db2.gz VQSBLIFZCNKCKQ-GOSISDBHSA-N 2 2 333.476 1.568 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC(C)(C)F)CC2)cc1 ZINC000872217119 596839978 /nfs/dbraw/zinc/83/99/78/596839978.db2.gz NQHHBEWBILMSCR-INIZCTEOSA-N 2 2 339.455 1.516 20 10 EDCDLP COc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218726 /nfs/dbraw/zinc/21/87/26/250218726.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218730 /nfs/dbraw/zinc/21/87/30/250218730.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218733 /nfs/dbraw/zinc/21/87/33/250218733.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218737 /nfs/dbraw/zinc/21/87/37/250218737.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 2 2 349.475 1.238 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000360024861 445534237 /nfs/dbraw/zinc/53/42/37/445534237.db2.gz WLLQPMHSUMWWGB-UHFFFAOYSA-N 2 2 341.459 1.972 20 10 EDCDLP CN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365788952 446344000 /nfs/dbraw/zinc/34/40/00/446344000.db2.gz MEXRNYOPMIHQMJ-CQSZACIVSA-N 2 2 333.432 1.338 20 10 EDCDLP CN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365788952 446344001 /nfs/dbraw/zinc/34/40/01/446344001.db2.gz MEXRNYOPMIHQMJ-CQSZACIVSA-N 2 2 333.432 1.338 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CC(C)C)CC2)cc1 ZINC000754016013 579893916 /nfs/dbraw/zinc/89/39/16/579893916.db2.gz ZKUHKXLGXWFXDC-SFHVURJKSA-N 2 2 335.492 1.766 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CC(C)C)CC2)cc1 ZINC000754016013 579893917 /nfs/dbraw/zinc/89/39/17/579893917.db2.gz ZKUHKXLGXWFXDC-SFHVURJKSA-N 2 2 335.492 1.766 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3CC(C)(C)C3)CC2)cc1 ZINC000788435075 580721256 /nfs/dbraw/zinc/72/12/56/580721256.db2.gz MXAHECGIKRPNGS-KRWDZBQOSA-N 2 2 333.476 1.520 20 10 EDCDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3O)C2)CC1 ZINC000734274082 592958909 /nfs/dbraw/zinc/95/89/09/592958909.db2.gz YJJZBSHLKOIPOS-OAHLLOKOSA-N 2 2 332.448 1.360 20 10 EDCDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccccc3O)C2)CC1 ZINC000734274082 592958910 /nfs/dbraw/zinc/95/89/10/592958910.db2.gz YJJZBSHLKOIPOS-OAHLLOKOSA-N 2 2 332.448 1.360 20 10 EDCDLP CC/C=C\C[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819344554 593751339 /nfs/dbraw/zinc/75/13/39/593751339.db2.gz JJAQHIPRMZARFG-PYTPGESOSA-N 2 2 333.476 1.734 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000828353348 594399070 /nfs/dbraw/zinc/39/90/70/594399070.db2.gz MMIKMSSUUVYQPP-QGZVFWFLSA-N 2 2 333.432 1.159 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841779274 594951198 /nfs/dbraw/zinc/95/11/98/594951198.db2.gz PLHAHPNDDZCSMG-QGZVFWFLSA-N 2 2 332.448 1.701 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000834851115 595230277 /nfs/dbraw/zinc/23/02/77/595230277.db2.gz UTIVUMHCFPOOSM-HIFRSBDPSA-N 2 2 336.432 1.676 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000834851115 595230279 /nfs/dbraw/zinc/23/02/79/595230279.db2.gz UTIVUMHCFPOOSM-HIFRSBDPSA-N 2 2 336.432 1.676 20 10 EDCDLP COc1ccc(N2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000844221327 595306290 /nfs/dbraw/zinc/30/62/90/595306290.db2.gz CVOIHXUNWICBHH-UHFFFAOYSA-N 2 2 345.447 1.984 20 10 EDCDLP COc1ccc(N2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000844221327 595306293 /nfs/dbraw/zinc/30/62/93/595306293.db2.gz CVOIHXUNWICBHH-UHFFFAOYSA-N 2 2 345.447 1.984 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108787 596046865 /nfs/dbraw/zinc/04/68/65/596046865.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108787 596046869 /nfs/dbraw/zinc/04/68/69/596046869.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108787 596046872 /nfs/dbraw/zinc/04/68/72/596046872.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108787 596046875 /nfs/dbraw/zinc/04/68/75/596046875.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000269280835 443265204 /nfs/dbraw/zinc/26/52/04/443265204.db2.gz FEGOUCDVQQFKLT-SFHVURJKSA-N 2 2 346.475 1.076 20 10 EDCDLP COc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000293535716 444046634 /nfs/dbraw/zinc/04/66/34/444046634.db2.gz CIDOHJGUKWFBCF-GOSISDBHSA-N 2 2 342.439 1.910 20 10 EDCDLP COc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000293535716 444046637 /nfs/dbraw/zinc/04/66/37/444046637.db2.gz CIDOHJGUKWFBCF-GOSISDBHSA-N 2 2 342.439 1.910 20 10 EDCDLP COc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000289534852 444166652 /nfs/dbraw/zinc/16/66/52/444166652.db2.gz HVNATQJMELJYQY-MQVJKMGUSA-N 2 2 347.459 1.574 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919766 578599182 /nfs/dbraw/zinc/59/91/82/578599182.db2.gz CPZHHLXSSUXLSU-SFHVURJKSA-N 2 2 341.459 1.902 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919766 578599184 /nfs/dbraw/zinc/59/91/84/578599184.db2.gz CPZHHLXSSUXLSU-SFHVURJKSA-N 2 2 341.459 1.902 20 10 EDCDLP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775656842 580396344 /nfs/dbraw/zinc/39/63/44/580396344.db2.gz NYJYCXIVQVIFER-UHFFFAOYSA-N 2 2 331.460 1.966 20 10 EDCDLP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775656842 580396345 /nfs/dbraw/zinc/39/63/45/580396345.db2.gz NYJYCXIVQVIFER-UHFFFAOYSA-N 2 2 331.460 1.966 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000891241251 591012990 /nfs/dbraw/zinc/01/29/90/591012990.db2.gz AAERWKWAIRCUFX-IBWPDUFMSA-N 2 2 341.459 1.918 20 10 EDCDLP COc1cccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1O ZINC000895553630 591799647 /nfs/dbraw/zinc/79/96/47/591799647.db2.gz ICDHNVCUPMXXTG-UHFFFAOYSA-N 2 2 347.459 1.707 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000819087588 593738198 /nfs/dbraw/zinc/73/81/98/593738198.db2.gz LUYIBFSRZMROFK-MJGOQNOKSA-N 2 2 345.487 1.876 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N(C)C3CC([NH3+])C3)CC2)cc1 ZINC000841779698 594951186 /nfs/dbraw/zinc/95/11/86/594951186.db2.gz XEHFZTWKBPOEMX-UHFFFAOYSA-N 2 2 332.448 1.795 20 10 EDCDLP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1C ZINC000997417147 703669249 /nfs/dbraw/zinc/66/92/49/703669249.db2.gz OBIRLIPJFPBHIW-UHFFFAOYSA-N 2 2 342.443 1.981 20 10 EDCDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297972321 444373418 /nfs/dbraw/zinc/37/34/18/444373418.db2.gz ZXAOYQMQHZXHSW-HOTGVXAUSA-N 2 2 331.460 1.912 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000726700665 578355533 /nfs/dbraw/zinc/35/55/33/578355533.db2.gz HUBJXEVOIQZNBL-UHFFFAOYSA-N 2 2 334.464 1.915 20 10 EDCDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103992 579943563 /nfs/dbraw/zinc/94/35/63/579943563.db2.gz XRUFCIJKCVOCDI-QGPMSJSTSA-N 2 2 330.476 1.428 20 10 EDCDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103992 579943564 /nfs/dbraw/zinc/94/35/64/579943564.db2.gz XRUFCIJKCVOCDI-QGPMSJSTSA-N 2 2 330.476 1.428 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000756552329 579952358 /nfs/dbraw/zinc/95/23/58/579952358.db2.gz ZUHJGXDKWCRRAM-AEGPPILISA-N 2 2 334.416 1.693 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000756552329 579952359 /nfs/dbraw/zinc/95/23/59/579952359.db2.gz ZUHJGXDKWCRRAM-AEGPPILISA-N 2 2 334.416 1.693 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000799954224 581039790 /nfs/dbraw/zinc/03/97/90/581039790.db2.gz NTNVDYOLXZAOFA-KSSFIOAISA-N 2 2 348.443 1.362 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000799954224 581039791 /nfs/dbraw/zinc/03/97/91/581039791.db2.gz NTNVDYOLXZAOFA-KSSFIOAISA-N 2 2 348.443 1.362 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[NH+](C)C)cc1 ZINC000891248335 591017489 /nfs/dbraw/zinc/01/74/89/591017489.db2.gz KTTRZFLFDMEIRS-MRXNPFEDSA-N 2 2 329.448 1.827 20 10 EDCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000808686996 593280982 /nfs/dbraw/zinc/28/09/82/593280982.db2.gz XYXPMLAZENJXPV-GFCCVEGCSA-N 2 2 325.840 1.779 20 10 EDCDLP COc1cc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000818430902 593697723 /nfs/dbraw/zinc/69/77/23/593697723.db2.gz BEEQKZJELSOAPT-UONOGXRCSA-N 2 2 332.404 1.070 20 10 EDCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000818430902 593697724 /nfs/dbraw/zinc/69/77/24/593697724.db2.gz BEEQKZJELSOAPT-UONOGXRCSA-N 2 2 332.404 1.070 20 10 EDCDLP CCC1(C[NH2+]C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000819138222 593740888 /nfs/dbraw/zinc/74/08/88/593740888.db2.gz ISZHQONRRIHSHR-GOSISDBHSA-N 2 2 347.503 1.958 20 10 EDCDLP CCOC(=O)N1CCC([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841044548 594843625 /nfs/dbraw/zinc/84/36/25/594843625.db2.gz CTDVKADVZUBJQC-KRWDZBQOSA-N 2 2 334.464 1.963 20 10 EDCDLP CCOc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843066425 595279170 /nfs/dbraw/zinc/27/91/70/595279170.db2.gz XAMYQNLTVDXAQB-OAHLLOKOSA-N 2 2 333.432 1.187 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000844227504 595310046 /nfs/dbraw/zinc/31/00/46/595310046.db2.gz XERHAVASJBZKMB-GOSISDBHSA-N 2 2 332.492 1.866 20 10 EDCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(F)c1O ZINC000858469261 595803876 /nfs/dbraw/zinc/80/38/76/595803876.db2.gz RVVPERBUAKPBSG-YGRLFVJLSA-N 2 2 327.375 1.661 20 10 EDCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(F)c1O ZINC000858469261 595803878 /nfs/dbraw/zinc/80/38/78/595803878.db2.gz RVVPERBUAKPBSG-YGRLFVJLSA-N 2 2 327.375 1.661 20 10 EDCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC000879591943 597648423 /nfs/dbraw/zinc/64/84/23/597648423.db2.gz BEZQSMIFUSKHFG-UHFFFAOYSA-N 2 2 349.450 1.946 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cncn3C)CC2)cc1 ZINC000237273250 536696891 /nfs/dbraw/zinc/69/68/91/536696891.db2.gz XGJZRORFEKYUBM-UHFFFAOYSA-N 2 2 343.475 1.731 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@H]3C(C)C)CC2)cc1 ZINC000759073606 579997882 /nfs/dbraw/zinc/99/78/82/579997882.db2.gz YZXPJVCOVFRUPC-QUCCMNQESA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@H]3C(C)C)CC2)cc1 ZINC000759073606 579997883 /nfs/dbraw/zinc/99/78/83/579997883.db2.gz YZXPJVCOVFRUPC-QUCCMNQESA-N 2 2 347.503 1.908 20 10 EDCDLP COc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000769530991 580239266 /nfs/dbraw/zinc/23/92/66/580239266.db2.gz CPQYXRUNKZVTSZ-HNNXBMFYSA-N 2 2 333.432 1.139 20 10 EDCDLP COc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000769530991 580239267 /nfs/dbraw/zinc/23/92/67/580239267.db2.gz CPQYXRUNKZVTSZ-HNNXBMFYSA-N 2 2 333.432 1.139 20 10 EDCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008173 580782874 /nfs/dbraw/zinc/78/28/74/580782874.db2.gz CZAJIKPTEKPCJD-CQSZACIVSA-N 2 2 341.463 1.611 20 10 EDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1OC ZINC000897229549 591779879 /nfs/dbraw/zinc/77/98/79/591779879.db2.gz UXAMGUZWHCRHCH-OAHLLOKOSA-N 2 2 336.432 1.752 20 10 EDCDLP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1OC ZINC000897229549 591779881 /nfs/dbraw/zinc/77/98/81/591779881.db2.gz UXAMGUZWHCRHCH-OAHLLOKOSA-N 2 2 336.432 1.752 20 10 EDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888635 593645355 /nfs/dbraw/zinc/64/53/55/593645355.db2.gz NWQDIOAHCBSASC-GDBMZVCRSA-N 2 2 337.439 1.519 20 10 EDCDLP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000828353232 594399045 /nfs/dbraw/zinc/39/90/45/594399045.db2.gz LEKCDDRXSCNHHA-INIZCTEOSA-N 2 2 349.431 1.061 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846835355 595323420 /nfs/dbraw/zinc/32/34/20/595323420.db2.gz KKVOCARSXHRSNS-MRXNPFEDSA-N 2 2 341.459 1.592 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846835355 595323424 /nfs/dbraw/zinc/32/34/24/595323424.db2.gz KKVOCARSXHRSNS-MRXNPFEDSA-N 2 2 341.459 1.592 20 10 EDCDLP Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853749562 595870537 /nfs/dbraw/zinc/87/05/37/595870537.db2.gz VZVSAFWSBMMWKE-UHFFFAOYSA-N 2 2 349.523 1.744 20 10 EDCDLP Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853749562 595870539 /nfs/dbraw/zinc/87/05/39/595870539.db2.gz VZVSAFWSBMMWKE-UHFFFAOYSA-N 2 2 349.523 1.744 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717088 596307864 /nfs/dbraw/zinc/30/78/64/596307864.db2.gz VNEGXBZWKSUDEN-HKUYNNGSSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717088 596307868 /nfs/dbraw/zinc/30/78/68/596307868.db2.gz VNEGXBZWKSUDEN-HKUYNNGSSA-N 2 2 344.503 1.785 20 10 EDCDLP Cc1cc(O)c(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1C ZINC000372417486 250218345 /nfs/dbraw/zinc/21/83/45/250218345.db2.gz WOJAKKSUOVHCIE-IEBWSBKVSA-N 2 2 347.503 1.846 20 10 EDCDLP Cc1cc(O)c(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1C ZINC000372417486 250218347 /nfs/dbraw/zinc/21/83/47/250218347.db2.gz WOJAKKSUOVHCIE-IEBWSBKVSA-N 2 2 347.503 1.846 20 10 EDCDLP Cc1cc(O)c(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cc1C ZINC000372417486 250218351 /nfs/dbraw/zinc/21/83/51/250218351.db2.gz WOJAKKSUOVHCIE-IEBWSBKVSA-N 2 2 347.503 1.846 20 10 EDCDLP Cc1cc(O)c(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cc1C ZINC000372417486 250218356 /nfs/dbraw/zinc/21/83/56/250218356.db2.gz WOJAKKSUOVHCIE-IEBWSBKVSA-N 2 2 347.503 1.846 20 10 EDCDLP COc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000265837358 442940500 /nfs/dbraw/zinc/94/05/00/442940500.db2.gz FROWXDMUMLAANX-KRWDZBQOSA-N 2 2 347.459 1.026 20 10 EDCDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000279902044 443638234 /nfs/dbraw/zinc/63/82/34/443638234.db2.gz LOWSZTPACWDKSG-GJZGRUSLSA-N 2 2 336.386 1.967 20 10 EDCDLP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369452187 446122532 /nfs/dbraw/zinc/12/25/32/446122532.db2.gz NNXZDDQAJLXUAC-SFHVURJKSA-N 2 2 349.475 1.239 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000365834177 446361552 /nfs/dbraw/zinc/36/15/52/446361552.db2.gz BEHGSEZVHXVBFI-SFHVURJKSA-N 2 2 330.476 1.667 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000365834177 446361556 /nfs/dbraw/zinc/36/15/56/446361556.db2.gz BEHGSEZVHXVBFI-SFHVURJKSA-N 2 2 330.476 1.667 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CC3CC3)CC2)cc1 ZINC000754009155 579893793 /nfs/dbraw/zinc/89/37/93/579893793.db2.gz YQAQFLSPUCVSBV-GOSISDBHSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CC3CC3)CC2)cc1 ZINC000754009155 579893794 /nfs/dbraw/zinc/89/37/94/579893794.db2.gz YQAQFLSPUCVSBV-GOSISDBHSA-N 2 2 333.476 1.520 20 10 EDCDLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000783535334 580601020 /nfs/dbraw/zinc/60/10/20/580601020.db2.gz LVQURFXMJJBAGF-ZFWWWQNUSA-N 2 2 328.416 1.968 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000891248355 591017550 /nfs/dbraw/zinc/01/75/50/591017550.db2.gz LBJYZGZNMXPVQV-KRWDZBQOSA-N 2 2 329.448 1.827 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000891248355 591017555 /nfs/dbraw/zinc/01/75/55/591017555.db2.gz LBJYZGZNMXPVQV-KRWDZBQOSA-N 2 2 329.448 1.827 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817897537 593646601 /nfs/dbraw/zinc/64/66/01/593646601.db2.gz RRXFYZNXMIJDGF-SJORKVTESA-N 3 2 334.508 1.923 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941881 593650750 /nfs/dbraw/zinc/65/07/50/593650750.db2.gz LMVIFDQTNGSQNR-BRWVUGGUSA-N 2 2 339.505 1.698 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842477572 595115173 /nfs/dbraw/zinc/11/51/73/595115173.db2.gz AIKQWUDUTYHICD-HNNXBMFYSA-N 2 2 347.394 1.621 20 10 EDCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842477572 595115175 /nfs/dbraw/zinc/11/51/75/595115175.db2.gz AIKQWUDUTYHICD-HNNXBMFYSA-N 2 2 347.394 1.621 20 10 EDCDLP CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846662234 595295166 /nfs/dbraw/zinc/29/51/66/595295166.db2.gz OKTFXPBTCMBWDY-SFHVURJKSA-N 2 2 332.492 1.914 20 10 EDCDLP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000848527358 595403170 /nfs/dbraw/zinc/40/31/70/595403170.db2.gz AFZJKPQKNMNITB-KOLCDFICSA-N 2 2 347.253 1.736 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000866670107 596286858 /nfs/dbraw/zinc/28/68/58/596286858.db2.gz AQQYLGGDJVEFCQ-KRWDZBQOSA-N 2 2 332.492 1.914 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000866670107 596286860 /nfs/dbraw/zinc/28/68/60/596286860.db2.gz AQQYLGGDJVEFCQ-KRWDZBQOSA-N 2 2 332.492 1.914 20 10 EDCDLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000876506586 597224271 /nfs/dbraw/zinc/22/42/71/597224271.db2.gz MANUHCGHTDYDSK-RDJZCZTQSA-N 2 2 341.459 1.636 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1C ZINC000883372285 597726162 /nfs/dbraw/zinc/72/61/62/597726162.db2.gz VDUNFGXZSCCDFN-LJQANCHMSA-N 2 2 347.503 1.890 20 10 EDCDLP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000375737999 447013631 /nfs/dbraw/zinc/01/36/31/447013631.db2.gz ISUMLCSHXHWQIR-ALOPSCKCSA-N 2 2 331.460 1.874 20 10 EDCDLP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000375737999 447013636 /nfs/dbraw/zinc/01/36/36/447013636.db2.gz ISUMLCSHXHWQIR-ALOPSCKCSA-N 2 2 331.460 1.874 20 10 EDCDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000799153530 581019554 /nfs/dbraw/zinc/01/95/54/581019554.db2.gz DIXIMTPGONHXMO-SFHVURJKSA-N 2 2 341.411 1.844 20 10 EDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817888731 593645326 /nfs/dbraw/zinc/64/53/26/593645326.db2.gz JSWIUQUBVCZQLG-HFTRVMKXSA-N 2 2 330.476 1.618 20 10 EDCDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934896 593650338 /nfs/dbraw/zinc/65/03/38/593650338.db2.gz LALDZUKANKGLKY-BLLLJJGKSA-N 2 2 325.403 1.889 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CCC3CCC3)CC2)cc1 ZINC000819145686 593741240 /nfs/dbraw/zinc/74/12/40/593741240.db2.gz GMNHSQCUBKEXSI-LJQANCHMSA-N 2 2 347.503 1.958 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC[C@@H](C)F)CC2)cc1 ZINC000819334148 593750982 /nfs/dbraw/zinc/75/09/82/593750982.db2.gz VTSMQSMBDDFUFQ-NVXWUHKLSA-N 2 2 339.455 1.516 20 10 EDCDLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559054 594038341 /nfs/dbraw/zinc/03/83/41/594038341.db2.gz DGULZOHTYSGOOE-IBGZPJMESA-N 2 2 333.476 1.460 20 10 EDCDLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559054 594038345 /nfs/dbraw/zinc/03/83/45/594038345.db2.gz DGULZOHTYSGOOE-IBGZPJMESA-N 2 2 333.476 1.460 20 10 EDCDLP Oc1cccc(Br)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000858106764 595701813 /nfs/dbraw/zinc/70/18/13/595701813.db2.gz QYDLEIXOGLBWSH-LLVKDONJSA-N 2 2 329.238 1.701 20 10 EDCDLP OCC[NH2+]C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000873215916 597230532 /nfs/dbraw/zinc/23/05/32/597230532.db2.gz HHTBPYYSPAJENJ-UHFFFAOYSA-N 2 2 329.238 1.701 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243325 529780639 /nfs/dbraw/zinc/78/06/39/529780639.db2.gz XYMVHELWETVOMT-UHFFFAOYSA-N 2 2 341.459 1.902 20 10 EDCDLP CCOc1cccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)c1O ZINC000093045599 237019990 /nfs/dbraw/zinc/01/99/90/237019990.db2.gz JHGQNAGWPNQXON-UHFFFAOYSA-N 2 2 349.475 1.777 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000069796764 442042614 /nfs/dbraw/zinc/04/26/14/442042614.db2.gz NTCCKQGKRCBCLM-CQSZACIVSA-N 2 2 334.416 1.665 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000069796764 442042619 /nfs/dbraw/zinc/04/26/19/442042619.db2.gz NTCCKQGKRCBCLM-CQSZACIVSA-N 2 2 334.416 1.665 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1OC ZINC000184111765 442992925 /nfs/dbraw/zinc/99/29/25/442992925.db2.gz IUGJVHRMDPLXBX-UHFFFAOYSA-N 2 2 344.415 1.830 20 10 EDCDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000359955407 445502930 /nfs/dbraw/zinc/50/29/30/445502930.db2.gz BRVXSGPYGNQBTG-ZBFHGGJFSA-N 2 2 337.439 1.588 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000366301433 446138704 /nfs/dbraw/zinc/13/87/04/446138704.db2.gz XOCHIROECASRBJ-IEBWSBKVSA-N 2 2 346.519 1.810 20 10 EDCDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(OC)c3O)CC2)C1 ZINC000371380192 446818501 /nfs/dbraw/zinc/81/85/01/446818501.db2.gz QPLYEQYGDBOKAT-KRWDZBQOSA-N 2 2 349.475 1.239 20 10 EDCDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(OC)c3O)CC2)C1 ZINC000371380192 446818512 /nfs/dbraw/zinc/81/85/12/446818512.db2.gz QPLYEQYGDBOKAT-KRWDZBQOSA-N 2 2 349.475 1.239 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(F)ccc1O ZINC000375511414 446861896 /nfs/dbraw/zinc/86/18/96/446861896.db2.gz HVSNLPSCKQUKOS-OMXAPOSASA-N 2 2 332.379 1.935 20 10 EDCDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756548115 579952174 /nfs/dbraw/zinc/95/21/74/579952174.db2.gz IMXFLAZYPDXVKL-RYUDHWBXSA-N 2 2 341.402 1.908 20 10 EDCDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756548115 579952175 /nfs/dbraw/zinc/95/21/75/579952175.db2.gz IMXFLAZYPDXVKL-RYUDHWBXSA-N 2 2 341.402 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567313 580795602 /nfs/dbraw/zinc/79/56/02/580795602.db2.gz JJPWVWLWELRDGQ-SOLBZPMBSA-N 2 2 333.476 1.661 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567313 580795603 /nfs/dbraw/zinc/79/56/03/580795603.db2.gz JJPWVWLWELRDGQ-SOLBZPMBSA-N 2 2 333.476 1.661 20 10 EDCDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000799153529 581019550 /nfs/dbraw/zinc/01/95/50/581019550.db2.gz DIXIMTPGONHXMO-GOSISDBHSA-N 2 2 341.411 1.844 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000799954223 581039741 /nfs/dbraw/zinc/03/97/41/581039741.db2.gz NTNVDYOLXZAOFA-KBXCAEBGSA-N 2 2 348.443 1.362 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000799954223 581039742 /nfs/dbraw/zinc/03/97/42/581039742.db2.gz NTNVDYOLXZAOFA-KBXCAEBGSA-N 2 2 348.443 1.362 20 10 EDCDLP CN(C)c1[nH+]cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1C ZINC000898450119 591353448 /nfs/dbraw/zinc/35/34/48/591353448.db2.gz NUWXTUNLUPMTTQ-GOSISDBHSA-N 2 2 344.507 1.945 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502044 593472135 /nfs/dbraw/zinc/47/21/35/593472135.db2.gz HJFHQSIBOBUMRP-IBGZPJMESA-N 2 2 343.471 1.618 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502044 593472136 /nfs/dbraw/zinc/47/21/36/593472136.db2.gz HJFHQSIBOBUMRP-IBGZPJMESA-N 2 2 343.471 1.618 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C3CC(C)C3)CC2)cc1 ZINC000819128699 593740463 /nfs/dbraw/zinc/74/04/63/593740463.db2.gz QOMNXIJQUPFQEF-LEOMRAHMSA-N 2 2 333.476 1.566 20 10 EDCDLP CC[NH+]1CCN(c2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2F)CC1 ZINC000826719612 594563544 /nfs/dbraw/zinc/56/35/44/594563544.db2.gz QBEIMCIPTZCLRM-UHFFFAOYSA-N 2 2 345.422 1.550 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841779273 594951096 /nfs/dbraw/zinc/95/10/96/594951096.db2.gz PLHAHPNDDZCSMG-KRWDZBQOSA-N 2 2 332.448 1.701 20 10 EDCDLP CN(C)c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000853244402 595717952 /nfs/dbraw/zinc/71/79/52/595717952.db2.gz LGTTTXUYDJQUTO-UHFFFAOYSA-N 2 2 335.496 1.435 20 10 EDCDLP CN(C)c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000853244402 595717955 /nfs/dbraw/zinc/71/79/55/595717955.db2.gz LGTTTXUYDJQUTO-UHFFFAOYSA-N 2 2 335.496 1.435 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)CC1 ZINC000881850823 597753869 /nfs/dbraw/zinc/75/38/69/597753869.db2.gz HIMFKIBFZPBDKJ-UHFFFAOYSA-N 2 2 341.459 1.732 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000273409668 443571408 /nfs/dbraw/zinc/57/14/08/443571408.db2.gz PJHDXQZPSCZERZ-ZFWWWQNUSA-N 2 2 336.432 1.676 20 10 EDCDLP COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1O ZINC000279802744 443629981 /nfs/dbraw/zinc/62/99/81/443629981.db2.gz DPBGFIJOTPPNRH-GJZGRUSLSA-N 2 2 348.422 1.837 20 10 EDCDLP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000294981293 444163012 /nfs/dbraw/zinc/16/30/12/444163012.db2.gz GYHDJXMDYZEUON-MRXNPFEDSA-N 2 2 348.491 1.322 20 10 EDCDLP C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365685014 446300107 /nfs/dbraw/zinc/30/01/07/446300107.db2.gz ZDIZLAKSHOCUNC-ZDUSSCGKSA-N 2 2 333.432 1.338 20 10 EDCDLP C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365685014 446300109 /nfs/dbraw/zinc/30/01/09/446300109.db2.gz ZDIZLAKSHOCUNC-ZDUSSCGKSA-N 2 2 333.432 1.338 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@H](C)C3CC3)CC2)cc1 ZINC000779217352 580481341 /nfs/dbraw/zinc/48/13/41/580481341.db2.gz FXXOPPQZSHMPPU-VQIMIIECSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@H](C)C3CC3)CC2)cc1 ZINC000779217352 580481342 /nfs/dbraw/zinc/48/13/42/580481342.db2.gz FXXOPPQZSHMPPU-VQIMIIECSA-N 2 2 347.503 1.908 20 10 EDCDLP COCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000898449897 591353582 /nfs/dbraw/zinc/35/35/82/591353582.db2.gz LGKHPHSMCYNOLV-HKUYNNGSSA-N 2 2 334.508 1.666 20 10 EDCDLP COCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000898449897 591353585 /nfs/dbraw/zinc/35/35/85/591353585.db2.gz LGKHPHSMCYNOLV-HKUYNNGSSA-N 2 2 334.508 1.666 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)NCc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000894912513 591472009 /nfs/dbraw/zinc/47/20/09/591472009.db2.gz DWEYHEDYHKRVRT-QGZVFWFLSA-N 2 2 344.463 1.588 20 10 EDCDLP CN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]cn1 ZINC000895144464 591616036 /nfs/dbraw/zinc/61/60/36/591616036.db2.gz KGKONGVAEUXJSZ-UHFFFAOYSA-N 2 2 326.448 1.907 20 10 EDCDLP CN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc[nH+]1 ZINC000895144464 591616041 /nfs/dbraw/zinc/61/60/41/591616041.db2.gz KGKONGVAEUXJSZ-UHFFFAOYSA-N 2 2 326.448 1.907 20 10 EDCDLP C=C/C=C\CC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000905423825 592530765 /nfs/dbraw/zinc/53/07/65/592530765.db2.gz RZFKTVINRBMWIF-PHWHVTFISA-N 2 2 345.487 1.900 20 10 EDCDLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824583447 594042479 /nfs/dbraw/zinc/04/24/79/594042479.db2.gz LTINOBPTQPRXHG-IBGZPJMESA-N 2 2 333.476 1.460 20 10 EDCDLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824583447 594042480 /nfs/dbraw/zinc/04/24/80/594042480.db2.gz LTINOBPTQPRXHG-IBGZPJMESA-N 2 2 333.476 1.460 20 10 EDCDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555120 596196839 /nfs/dbraw/zinc/19/68/39/596196839.db2.gz JRYDXVORMBNBIV-ICSRJNTNSA-N 2 2 347.503 1.956 20 10 EDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1Cn1cccn1 ZINC000873051232 597171938 /nfs/dbraw/zinc/17/19/38/597171938.db2.gz FWMQDSJSNWHZAP-GOSISDBHSA-N 2 2 343.475 1.275 20 10 EDCDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1Cn1cccn1 ZINC000873051232 597171940 /nfs/dbraw/zinc/17/19/40/597171940.db2.gz FWMQDSJSNWHZAP-GOSISDBHSA-N 2 2 343.475 1.275 20 10 EDCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409102 443571926 /nfs/dbraw/zinc/57/19/26/443571926.db2.gz PGLOWCRDZCVATH-CYBMUJFWSA-N 2 2 336.432 1.940 20 10 EDCDLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000289428380 444140615 /nfs/dbraw/zinc/14/06/15/444140615.db2.gz XFNZADVUHBPGCT-ZWKOTPCHSA-N 2 2 334.460 1.828 20 10 EDCDLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000289428380 444140619 /nfs/dbraw/zinc/14/06/19/444140619.db2.gz XFNZADVUHBPGCT-ZWKOTPCHSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000289428380 444140620 /nfs/dbraw/zinc/14/06/20/444140620.db2.gz XFNZADVUHBPGCT-ZWKOTPCHSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000289428380 444140626 /nfs/dbraw/zinc/14/06/26/444140626.db2.gz XFNZADVUHBPGCT-ZWKOTPCHSA-N 2 2 334.460 1.828 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1O ZINC000359955404 445503208 /nfs/dbraw/zinc/50/32/08/445503208.db2.gz BRVXSGPYGNQBTG-GDBMZVCRSA-N 2 2 337.439 1.588 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CCC3CC3)CC2)cc1 ZINC000754071221 579895500 /nfs/dbraw/zinc/89/55/00/579895500.db2.gz NMTPTEKVNMWXRT-IBGZPJMESA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CCC3CC3)CC2)cc1 ZINC000754071221 579895501 /nfs/dbraw/zinc/89/55/01/579895501.db2.gz NMTPTEKVNMWXRT-IBGZPJMESA-N 2 2 347.503 1.910 20 10 EDCDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000775633622 580395798 /nfs/dbraw/zinc/39/57/98/580395798.db2.gz QUBYXIDSWBRDJV-UHFFFAOYSA-N 2 2 336.432 1.908 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974251 592397595 /nfs/dbraw/zinc/39/75/95/592397595.db2.gz NGGCSKCPFHMHCF-GOSISDBHSA-N 2 2 345.487 1.772 20 10 EDCDLP CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)C2(O)CCCC2)[NH+](C)C)cc1 ZINC000905707010 592618161 /nfs/dbraw/zinc/61/81/61/592618161.db2.gz XHQYLFIIODJNTP-MSOLQXFVSA-N 2 2 335.492 1.611 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548429 593531187 /nfs/dbraw/zinc/53/11/87/593531187.db2.gz HOKAQHVQBYTDIP-LLVKDONJSA-N 2 2 343.830 1.862 20 10 EDCDLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548429 593531189 /nfs/dbraw/zinc/53/11/89/593531189.db2.gz HOKAQHVQBYTDIP-LLVKDONJSA-N 2 2 343.830 1.862 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000819281761 593748360 /nfs/dbraw/zinc/74/83/60/593748360.db2.gz XPJNIWFJKKRFCX-YZGWKJHDSA-N 2 2 345.487 1.566 20 10 EDCDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000827975055 594313471 /nfs/dbraw/zinc/31/34/71/594313471.db2.gz BYRNOOFLPKBGPJ-UHFFFAOYSA-N 2 2 330.476 1.486 20 10 EDCDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000834759800 595205476 /nfs/dbraw/zinc/20/54/76/595205476.db2.gz FWTCIYFELMTBKL-HUUCEWRRSA-N 2 2 340.427 1.894 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1F ZINC000863641858 596640809 /nfs/dbraw/zinc/64/08/09/596640809.db2.gz DJFVAWUFCRXMDK-UHFFFAOYSA-N 2 2 349.454 1.035 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093820863 529780255 /nfs/dbraw/zinc/78/02/55/529780255.db2.gz YFBDTXMFGMHCLP-GOSISDBHSA-N 2 2 330.476 1.491 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093820863 529780256 /nfs/dbraw/zinc/78/02/56/529780256.db2.gz YFBDTXMFGMHCLP-GOSISDBHSA-N 2 2 330.476 1.491 20 10 EDCDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(F)ccc1O ZINC000361054710 250168786 /nfs/dbraw/zinc/16/87/86/250168786.db2.gz VADDDQFVZSCLIT-PBHICJAKSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(F)ccc1O ZINC000361054710 250168793 /nfs/dbraw/zinc/16/87/93/250168793.db2.gz VADDDQFVZSCLIT-PBHICJAKSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000361054710 250168796 /nfs/dbraw/zinc/16/87/96/250168796.db2.gz VADDDQFVZSCLIT-PBHICJAKSA-N 2 2 337.439 1.368 20 10 EDCDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000361054710 250168800 /nfs/dbraw/zinc/16/88/00/250168800.db2.gz VADDDQFVZSCLIT-PBHICJAKSA-N 2 2 337.439 1.368 20 10 EDCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000186064009 443305170 /nfs/dbraw/zinc/30/51/70/443305170.db2.gz RIPFZFTZAMUXCN-JKSUJKDBSA-N 2 2 347.459 1.284 20 10 EDCDLP C[C@@H]1C[NH+]=C(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)S1 ZINC000271212095 443496119 /nfs/dbraw/zinc/49/61/19/443496119.db2.gz VACAWNYXTOCLPD-LLVKDONJSA-N 2 2 335.429 1.730 20 10 EDCDLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000772179696 580304704 /nfs/dbraw/zinc/30/47/04/580304704.db2.gz ZXJCRWFMDGNQPQ-UHFFFAOYSA-N 2 2 331.460 1.911 20 10 EDCDLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000772179696 580304705 /nfs/dbraw/zinc/30/47/05/580304705.db2.gz ZXJCRWFMDGNQPQ-UHFFFAOYSA-N 2 2 331.460 1.911 20 10 EDCDLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715480 580398301 /nfs/dbraw/zinc/39/83/01/580398301.db2.gz ZFAARJAKKYDSFY-LNPFQXMTSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715480 580398302 /nfs/dbraw/zinc/39/83/02/580398302.db2.gz ZFAARJAKKYDSFY-LNPFQXMTSA-N 2 2 335.517 1.780 20 10 EDCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517384 592009454 /nfs/dbraw/zinc/00/94/54/592009454.db2.gz LJGLEOHHSPEUIT-AYBZRNKSSA-N 2 2 334.508 1.712 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888267 593645076 /nfs/dbraw/zinc/64/50/76/593645076.db2.gz CHNBPEFIWAZDTI-KYJSFNMBSA-N 2 2 330.476 1.476 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)cc2)CC1 ZINC000824603570 594046116 /nfs/dbraw/zinc/04/61/16/594046116.db2.gz VAWUOVIZYRQEQU-UHFFFAOYSA-N 2 2 326.448 1.724 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000827700670 594260329 /nfs/dbraw/zinc/26/03/29/594260329.db2.gz WQIISHYXAGHJSS-OAHLLOKOSA-N 2 2 336.432 1.440 20 10 EDCDLP COc1cc(O)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000827700670 594260330 /nfs/dbraw/zinc/26/03/30/594260330.db2.gz WQIISHYXAGHJSS-OAHLLOKOSA-N 2 2 336.432 1.440 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841779815 594950901 /nfs/dbraw/zinc/95/09/01/594950901.db2.gz ZMVULECFDKEDFS-OAHLLOKOSA-N 2 2 346.475 1.963 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000844162684 595287900 /nfs/dbraw/zinc/28/79/00/595287900.db2.gz LYULZDGBJBMAMS-QGZVFWFLSA-N 2 2 337.427 1.759 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220448 595305786 /nfs/dbraw/zinc/30/57/86/595305786.db2.gz XAVWWILGOBARIM-QAPCUYQASA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220448 595305787 /nfs/dbraw/zinc/30/57/87/595305787.db2.gz XAVWWILGOBARIM-QAPCUYQASA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000861571352 596032113 /nfs/dbraw/zinc/03/21/13/596032113.db2.gz BCKPXIRSHGQIDD-SUMWQHHRSA-N 2 2 332.448 1.714 20 10 EDCDLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877559559 597535526 /nfs/dbraw/zinc/53/55/26/597535526.db2.gz ZAVNRBJGBFIOFY-LJQANCHMSA-N 2 2 347.503 1.584 20 10 EDCDLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877559559 597535527 /nfs/dbraw/zinc/53/55/27/597535527.db2.gz ZAVNRBJGBFIOFY-LJQANCHMSA-N 2 2 347.503 1.584 20 10 EDCDLP COc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219116 /nfs/dbraw/zinc/21/91/16/250219116.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219120 /nfs/dbraw/zinc/21/91/20/250219120.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219121 /nfs/dbraw/zinc/21/91/21/250219121.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219125 /nfs/dbraw/zinc/21/91/25/250219125.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 2 2 349.475 1.238 20 10 EDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000359957146 445503802 /nfs/dbraw/zinc/50/38/02/445503802.db2.gz GNOHXFGAOUHVHW-IAGOWNOFSA-N 2 2 333.476 1.758 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000754023396 579894225 /nfs/dbraw/zinc/89/42/25/579894225.db2.gz ALTDAOFVUHWKDJ-WMZOPIPTSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000754023396 579894226 /nfs/dbraw/zinc/89/42/26/579894226.db2.gz ALTDAOFVUHWKDJ-WMZOPIPTSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043836 579894624 /nfs/dbraw/zinc/89/46/24/579894624.db2.gz VXWQLPFVJTUNNC-LNLFQRSKSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043836 579894625 /nfs/dbraw/zinc/89/46/25/579894625.db2.gz VXWQLPFVJTUNNC-LNLFQRSKSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073504 579997919 /nfs/dbraw/zinc/99/79/19/579997919.db2.gz YZXPJVCOVFRUPC-AZUAARDMSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073504 579997920 /nfs/dbraw/zinc/99/79/20/579997920.db2.gz YZXPJVCOVFRUPC-AZUAARDMSA-N 2 2 347.503 1.908 20 10 EDCDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775498261 580392429 /nfs/dbraw/zinc/39/24/29/580392429.db2.gz ZZSIUUORARGORC-AWEZNQCLSA-N 2 2 325.840 1.860 20 10 EDCDLP CN(C)c1ccc(/C=C\CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc1 ZINC000904483681 592270651 /nfs/dbraw/zinc/27/06/51/592270651.db2.gz BKCVBRDPOOLDSR-IFOCYFHOSA-N 2 2 325.460 1.926 20 10 EDCDLP C[NH+](C)CCOc1ccc([N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841011291 594838631 /nfs/dbraw/zinc/83/86/31/594838631.db2.gz HJHCUGAKPPPXKL-INIZCTEOSA-N 3 2 348.491 1.261 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841778431 594950553 /nfs/dbraw/zinc/95/05/53/594950553.db2.gz BBFPUXMKPDHCQH-KDOFPFPSSA-N 2 2 346.475 1.961 20 10 EDCDLP CC[NH2+]CCCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000841779282 594951270 /nfs/dbraw/zinc/95/12/70/594951270.db2.gz PYGRLYZHOHWKCI-UHFFFAOYSA-N 2 2 334.464 1.963 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000841846690 594963754 /nfs/dbraw/zinc/96/37/54/594963754.db2.gz SJOQOXHNCWJQQO-NVXWUHKLSA-N 2 2 348.397 1.847 20 10 EDCDLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220275 595305516 /nfs/dbraw/zinc/30/55/16/595305516.db2.gz CAOYCWBWCCJIKI-UHFFFAOYSA-N 2 2 345.447 1.732 20 10 EDCDLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220275 595305517 /nfs/dbraw/zinc/30/55/17/595305517.db2.gz CAOYCWBWCCJIKI-UHFFFAOYSA-N 2 2 345.447 1.732 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000844220736 595306162 /nfs/dbraw/zinc/30/61/62/595306162.db2.gz MBAZHZIZZKEUCB-LJQANCHMSA-N 2 2 346.475 1.061 20 10 EDCDLP CN(C)c1cc(F)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000858106384 595701226 /nfs/dbraw/zinc/70/12/26/595701226.db2.gz IFURSOARRLNSSL-UHFFFAOYSA-N 2 2 327.419 1.967 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729919763 578599257 /nfs/dbraw/zinc/59/92/57/578599257.db2.gz CPZHHLXSSUXLSU-GOSISDBHSA-N 2 2 341.459 1.902 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729919763 578599259 /nfs/dbraw/zinc/59/92/59/578599259.db2.gz CPZHHLXSSUXLSU-GOSISDBHSA-N 2 2 341.459 1.902 20 10 EDCDLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(O)c1OC ZINC000893582586 590986440 /nfs/dbraw/zinc/98/64/40/590986440.db2.gz VRLWTYLTJXRMCB-UHFFFAOYSA-N 2 2 344.415 1.830 20 10 EDCDLP COC(=O)c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2n1C ZINC000894097157 591193056 /nfs/dbraw/zinc/19/30/56/591193056.db2.gz DAOGEGIXGYNFJX-TXEJJXNPSA-N 2 2 331.391 1.755 20 10 EDCDLP COC(=O)c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2n1C ZINC000894097157 591193057 /nfs/dbraw/zinc/19/30/57/591193057.db2.gz DAOGEGIXGYNFJX-TXEJJXNPSA-N 2 2 331.391 1.755 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000899099217 591689425 /nfs/dbraw/zinc/68/94/25/591689425.db2.gz XAGAQVDLMYQPQZ-KRWDZBQOSA-N 2 2 344.463 1.920 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000899099217 591689427 /nfs/dbraw/zinc/68/94/27/591689427.db2.gz XAGAQVDLMYQPQZ-KRWDZBQOSA-N 2 2 344.463 1.920 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C/C=C\Cl)CC2)cc1 ZINC000905708689 592618774 /nfs/dbraw/zinc/61/87/74/592618774.db2.gz RPXXBOAUMSUIGA-CGGYKVPPSA-N 2 2 339.867 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C/C=C/Cl)CC2)cc1 ZINC000905708690 592619093 /nfs/dbraw/zinc/61/90/93/592619093.db2.gz RPXXBOAUMSUIGA-MPUHIQPUSA-N 2 2 339.867 1.520 20 10 EDCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817893351 593645952 /nfs/dbraw/zinc/64/59/52/593645952.db2.gz YKAZOKZYJQRWIP-SOLBZPMBSA-N 2 2 333.476 1.941 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000819249906 593746712 /nfs/dbraw/zinc/74/67/12/593746712.db2.gz OSFQQGVZOQSPMC-YQVWRLOYSA-N 2 2 347.503 1.956 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000819270928 593747747 /nfs/dbraw/zinc/74/77/47/593747747.db2.gz LYWQNORMFJBJNG-FFGOWVMKSA-N 2 2 345.487 1.566 20 10 EDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000834590128 595169866 /nfs/dbraw/zinc/16/98/66/595169866.db2.gz RBDWXPVKYHIRRR-IAGOWNOFSA-N 2 2 331.460 1.376 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220446 595305519 /nfs/dbraw/zinc/30/55/19/595305519.db2.gz XAVWWILGOBARIM-CRAIPNDOSA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220446 595305520 /nfs/dbraw/zinc/30/55/20/595305520.db2.gz XAVWWILGOBARIM-CRAIPNDOSA-N 2 2 346.475 1.013 20 10 EDCDLP COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000854216933 596005784 /nfs/dbraw/zinc/00/57/84/596005784.db2.gz HLXXEIZFYGLBNT-IPELMVKDSA-N 2 2 331.460 1.631 20 10 EDCDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000378500427 447436481 /nfs/dbraw/zinc/43/64/81/447436481.db2.gz RITCGLKJNKBWBL-INIZCTEOSA-N 2 2 337.439 1.370 20 10 EDCDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000378500427 447436484 /nfs/dbraw/zinc/43/64/84/447436484.db2.gz RITCGLKJNKBWBL-INIZCTEOSA-N 2 2 337.439 1.370 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566877 443363540 /nfs/dbraw/zinc/36/35/40/443363540.db2.gz CAPVMQGDDKFQRJ-ZDUSSCGKSA-N 2 2 339.392 1.245 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292255331 443786861 /nfs/dbraw/zinc/78/68/61/443786861.db2.gz YBIQNBOVTSBIDM-FQEVSTJZSA-N 2 2 344.503 1.739 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292255331 443786863 /nfs/dbraw/zinc/78/68/63/443786863.db2.gz YBIQNBOVTSBIDM-FQEVSTJZSA-N 2 2 344.503 1.739 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292255331 443786867 /nfs/dbraw/zinc/78/68/67/443786867.db2.gz YBIQNBOVTSBIDM-FQEVSTJZSA-N 2 2 344.503 1.739 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292255331 443786869 /nfs/dbraw/zinc/78/68/69/443786869.db2.gz YBIQNBOVTSBIDM-FQEVSTJZSA-N 2 2 344.503 1.739 20 10 EDCDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422013 446845195 /nfs/dbraw/zinc/84/51/95/446845195.db2.gz CQBPJLXHCHURDH-SFHVURJKSA-N 2 2 349.475 1.239 20 10 EDCDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422013 446845200 /nfs/dbraw/zinc/84/52/00/446845200.db2.gz CQBPJLXHCHURDH-SFHVURJKSA-N 2 2 349.475 1.239 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H](C)[C@H]3C)CC2)cc1 ZINC000754052181 579894936 /nfs/dbraw/zinc/89/49/36/579894936.db2.gz XMBYASDSPZRZIY-SCTDSRPQSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H](C)[C@H]3C)CC2)cc1 ZINC000754052181 579894937 /nfs/dbraw/zinc/89/49/37/579894937.db2.gz XMBYASDSPZRZIY-SCTDSRPQSA-N 2 2 347.503 1.908 20 10 EDCDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775834928 580402163 /nfs/dbraw/zinc/40/21/63/580402163.db2.gz WBNYEIIKCPZREQ-CVEARBPZSA-N 2 2 332.492 1.956 20 10 EDCDLP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000783535328 580601061 /nfs/dbraw/zinc/60/10/61/580601061.db2.gz LVQURFXMJJBAGF-HIFRSBDPSA-N 2 2 328.416 1.968 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CC3(C)C)CC2)cc1 ZINC000819367634 593752153 /nfs/dbraw/zinc/75/21/53/593752153.db2.gz AZTVSAOKFKTWSN-WMZOPIPTSA-N 2 2 333.476 1.566 20 10 EDCDLP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000841718754 594942611 /nfs/dbraw/zinc/94/26/11/594942611.db2.gz AVUWENIZJHMLIY-KRWDZBQOSA-N 2 2 333.480 1.317 20 10 EDCDLP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000841718754 594942613 /nfs/dbraw/zinc/94/26/13/594942613.db2.gz AVUWENIZJHMLIY-KRWDZBQOSA-N 2 2 333.480 1.317 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717089 596308065 /nfs/dbraw/zinc/30/80/65/596308065.db2.gz VNEGXBZWKSUDEN-IEBWSBKVSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717089 596308069 /nfs/dbraw/zinc/30/80/69/596308069.db2.gz VNEGXBZWKSUDEN-IEBWSBKVSA-N 2 2 344.503 1.785 20 10 EDCDLP CCO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+](C)C ZINC000922758101 704317549 /nfs/dbraw/zinc/31/75/49/704317549.db2.gz QORDPUMBMNSGBG-LJQANCHMSA-N 2 2 334.508 1.495 20 10 EDCDLP CCO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CN(C)C ZINC000922758101 704317551 /nfs/dbraw/zinc/31/75/51/704317551.db2.gz QORDPUMBMNSGBG-LJQANCHMSA-N 2 2 334.508 1.495 20 10 EDCDLP CCO[C@H](CNCc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+](C)C ZINC000922758101 704317553 /nfs/dbraw/zinc/31/75/53/704317553.db2.gz QORDPUMBMNSGBG-LJQANCHMSA-N 2 2 334.508 1.495 20 10 EDCDLP COc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000183703700 442954919 /nfs/dbraw/zinc/95/49/19/442954919.db2.gz GYQODNHEBZAHHU-UHFFFAOYSA-N 2 2 346.431 1.731 20 10 EDCDLP CC[NH+](CC)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299398413 444037601 /nfs/dbraw/zinc/03/76/01/444037601.db2.gz VUVSUJDEUXWZGX-UHFFFAOYSA-N 2 2 348.491 1.275 20 10 EDCDLP Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572136360 448299104 /nfs/dbraw/zinc/29/91/04/448299104.db2.gz UUVPVMVWTYCMBY-AWEZNQCLSA-N 2 2 329.448 1.271 20 10 EDCDLP Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572136360 448299111 /nfs/dbraw/zinc/29/91/11/448299111.db2.gz UUVPVMVWTYCMBY-AWEZNQCLSA-N 2 2 329.448 1.271 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903917978 592389931 /nfs/dbraw/zinc/38/99/31/592389931.db2.gz PMKAGRLCIGQFGD-SJLPKXTDSA-N 3 2 343.479 1.058 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000819309165 593750017 /nfs/dbraw/zinc/75/00/17/593750017.db2.gz LWBYPAYAMXNYKF-IEBWSBKVSA-N 2 2 347.503 1.956 20 10 EDCDLP COC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840957689 594832815 /nfs/dbraw/zinc/83/28/15/594832815.db2.gz MEUZKWQDCQDJSS-GOSISDBHSA-N 2 2 331.460 1.870 20 10 EDCDLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841747419 594947431 /nfs/dbraw/zinc/94/74/31/594947431.db2.gz QLLPUKMYAVQVCZ-GFCCVEGCSA-N 2 2 325.840 1.860 20 10 EDCDLP Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000843122314 595292651 /nfs/dbraw/zinc/29/26/51/595292651.db2.gz QMEPWFFXXPHBFL-LBPRGKRZSA-N 2 2 328.254 1.538 20 10 EDCDLP Cc1cc(Br)c(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000843122314 595292653 /nfs/dbraw/zinc/29/26/53/595292653.db2.gz QMEPWFFXXPHBFL-LBPRGKRZSA-N 2 2 328.254 1.538 20 10 EDCDLP CCc1cccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1O ZINC000848902128 595465141 /nfs/dbraw/zinc/46/51/41/595465141.db2.gz LCFWRGIJUOIGRR-MRXNPFEDSA-N 2 2 342.443 1.969 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+]Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC000850089943 595735893 /nfs/dbraw/zinc/73/58/93/595735893.db2.gz JEDQLBBCUYXRDB-UHFFFAOYSA-N 2 2 343.475 1.649 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866716829 596308412 /nfs/dbraw/zinc/30/84/12/596308412.db2.gz RXQOFEDVXSFORH-SJLPKXTDSA-N 2 2 330.476 1.443 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866716829 596308415 /nfs/dbraw/zinc/30/84/15/596308415.db2.gz RXQOFEDVXSFORH-SJLPKXTDSA-N 2 2 330.476 1.443 20 10 EDCDLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1O ZINC000877757398 597553393 /nfs/dbraw/zinc/55/33/93/597553393.db2.gz XMIKAVKWPRTZCG-INIZCTEOSA-N 2 2 333.476 1.839 20 10 EDCDLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1O ZINC000877757398 597553394 /nfs/dbraw/zinc/55/33/94/597553394.db2.gz XMIKAVKWPRTZCG-INIZCTEOSA-N 2 2 333.476 1.839 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416650 250218662 /nfs/dbraw/zinc/21/86/62/250218662.db2.gz PXPBUXQKAFITBB-PXNSSMCTSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416650 250218668 /nfs/dbraw/zinc/21/86/68/250218668.db2.gz PXPBUXQKAFITBB-PXNSSMCTSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416650 250218672 /nfs/dbraw/zinc/21/86/72/250218672.db2.gz PXPBUXQKAFITBB-PXNSSMCTSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416650 250218676 /nfs/dbraw/zinc/21/86/76/250218676.db2.gz PXPBUXQKAFITBB-PXNSSMCTSA-N 2 2 346.519 1.589 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CC3CC3)CC2)cc1 ZINC000754009156 579893812 /nfs/dbraw/zinc/89/38/12/579893812.db2.gz YQAQFLSPUCVSBV-SFHVURJKSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CC3CC3)CC2)cc1 ZINC000754009156 579893813 /nfs/dbraw/zinc/89/38/13/579893813.db2.gz YQAQFLSPUCVSBV-SFHVURJKSA-N 2 2 333.476 1.520 20 10 EDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000762786606 580083138 /nfs/dbraw/zinc/08/31/38/580083138.db2.gz JWVKZIYZGRYIQB-QMTHXVAHSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000762786606 580083139 /nfs/dbraw/zinc/08/31/39/580083139.db2.gz JWVKZIYZGRYIQB-QMTHXVAHSA-N 2 2 329.238 1.872 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000891245773 591015000 /nfs/dbraw/zinc/01/50/00/591015000.db2.gz IZLOWUIFWKEIKN-JFIYKMOQSA-N 2 2 341.459 1.998 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000891245773 591015003 /nfs/dbraw/zinc/01/50/03/591015003.db2.gz IZLOWUIFWKEIKN-JFIYKMOQSA-N 2 2 341.459 1.998 20 10 EDCDLP COc1cc(C)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1O ZINC000894084995 591184123 /nfs/dbraw/zinc/18/41/23/591184123.db2.gz RWISTGURSHOJEN-MRXNPFEDSA-N 2 2 347.459 1.448 20 10 EDCDLP COc1cc(C)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1O ZINC000894084995 591184127 /nfs/dbraw/zinc/18/41/27/591184127.db2.gz RWISTGURSHOJEN-MRXNPFEDSA-N 2 2 347.459 1.448 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)NCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000898612158 591439113 /nfs/dbraw/zinc/43/91/13/591439113.db2.gz GXHWZXNPOXBMIC-KRWDZBQOSA-N 2 2 344.463 1.588 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000802653776 593268637 /nfs/dbraw/zinc/26/86/37/593268637.db2.gz SLYOBCWGFFJDBD-INIZCTEOSA-N 2 2 325.403 1.904 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000802653776 593268639 /nfs/dbraw/zinc/26/86/39/593268639.db2.gz SLYOBCWGFFJDBD-INIZCTEOSA-N 2 2 325.403 1.904 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934899 593650336 /nfs/dbraw/zinc/65/03/36/593650336.db2.gz LALDZUKANKGLKY-MLGOLLRUSA-N 2 2 325.403 1.889 20 10 EDCDLP CCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000818220948 593684914 /nfs/dbraw/zinc/68/49/14/593684914.db2.gz LARBPCBPKLGEAQ-UHFFFAOYSA-N 2 2 328.464 1.648 20 10 EDCDLP CN(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000843121711 595291881 /nfs/dbraw/zinc/29/18/81/595291881.db2.gz IDKBNPLSCAYQPZ-CQSZACIVSA-N 2 2 330.398 1.846 20 10 EDCDLP CN(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000843121711 595291883 /nfs/dbraw/zinc/29/18/83/595291883.db2.gz IDKBNPLSCAYQPZ-CQSZACIVSA-N 2 2 330.398 1.846 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)CO[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000844180092 595293972 /nfs/dbraw/zinc/29/39/72/595293972.db2.gz BHPPLTRLPIRSLJ-GOSISDBHSA-N 2 2 347.459 1.549 20 10 EDCDLP Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372813028 250226436 /nfs/dbraw/zinc/22/64/36/250226436.db2.gz SGBRZCCRCOGWKT-MRXNPFEDSA-N 2 2 338.473 1.442 20 10 EDCDLP Oc1ccccc1C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000749296214 579720839 /nfs/dbraw/zinc/72/08/39/579720839.db2.gz GQOIPCZSSZZEEP-ZWKOTPCHSA-N 2 2 334.460 1.830 20 10 EDCDLP Oc1ccccc1C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000749296214 579720840 /nfs/dbraw/zinc/72/08/40/579720840.db2.gz GQOIPCZSSZZEEP-ZWKOTPCHSA-N 2 2 334.460 1.830 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC3(C)C)CC2)cc1 ZINC000754066923 579895365 /nfs/dbraw/zinc/89/53/65/579895365.db2.gz NBLDDAWLXRTPRN-KRWDZBQOSA-N 2 2 333.476 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC3(C)C)CC2)cc1 ZINC000754066923 579895366 /nfs/dbraw/zinc/89/53/66/579895366.db2.gz NBLDDAWLXRTPRN-KRWDZBQOSA-N 2 2 333.476 1.662 20 10 EDCDLP Oc1c(F)cc(F)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000893909706 591134284 /nfs/dbraw/zinc/13/42/84/591134284.db2.gz SIKFCUIBKSVRDK-UHFFFAOYSA-N 2 2 325.403 1.884 20 10 EDCDLP CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C[NH+](C)C ZINC000896879986 591645065 /nfs/dbraw/zinc/64/50/65/591645065.db2.gz KORKUAVILISRRQ-GFCCVEGCSA-N 2 2 327.381 1.365 20 10 EDCDLP COc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903975329 592398668 /nfs/dbraw/zinc/39/86/68/592398668.db2.gz ZXNXBWGCJYNKSO-AWEZNQCLSA-N 2 2 336.432 1.658 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C3CC(C)C3)CC2)cc1 ZINC000819128697 593740488 /nfs/dbraw/zinc/74/04/88/593740488.db2.gz QOMNXIJQUPFQEF-HTWSVDAQSA-N 2 2 333.476 1.566 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000841779002 594950412 /nfs/dbraw/zinc/95/04/12/594950412.db2.gz KEAPNPKBLAQKRG-CQSZACIVSA-N 2 2 332.448 1.654 20 10 EDCDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc3ccccc3c2O)CC1=O ZINC000846014014 595122405 /nfs/dbraw/zinc/12/24/05/595122405.db2.gz PANLRBHNHSJTSL-UHFFFAOYSA-N 2 2 327.428 1.751 20 10 EDCDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc3ccccc3c2O)CC1=O ZINC000846014014 595122408 /nfs/dbraw/zinc/12/24/08/595122408.db2.gz PANLRBHNHSJTSL-UHFFFAOYSA-N 2 2 327.428 1.751 20 10 EDCDLP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226576 595179493 /nfs/dbraw/zinc/17/94/93/595179493.db2.gz PQUYCYZRMRZDMH-SJLPKXTDSA-N 2 2 348.491 1.007 20 10 EDCDLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226576 595179496 /nfs/dbraw/zinc/17/94/96/595179496.db2.gz PQUYCYZRMRZDMH-SJLPKXTDSA-N 2 2 348.491 1.007 20 10 EDCDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877004546 597409356 /nfs/dbraw/zinc/40/93/56/597409356.db2.gz NZFDJFYCNPRZJI-IBGZPJMESA-N 2 2 347.503 1.848 20 10 EDCDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877004546 597409358 /nfs/dbraw/zinc/40/93/58/597409358.db2.gz NZFDJFYCNPRZJI-IBGZPJMESA-N 2 2 347.503 1.848 20 10 EDCDLP CN(C)c1ccc(C2=CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000374776656 250272607 /nfs/dbraw/zinc/27/26/07/250272607.db2.gz GHMVSTDIPNTLTP-UHFFFAOYSA-N 2 2 328.460 1.226 20 10 EDCDLP CN(C)c1ccc(C2=CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000374776656 250272611 /nfs/dbraw/zinc/27/26/11/250272611.db2.gz GHMVSTDIPNTLTP-UHFFFAOYSA-N 2 2 328.460 1.226 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000119920748 441975867 /nfs/dbraw/zinc/97/58/67/441975867.db2.gz KOMRNMJZQBTMLL-VQIMIIECSA-N 2 2 333.476 1.974 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000119921023 441976458 /nfs/dbraw/zinc/97/64/58/441976458.db2.gz KOMRNMJZQBTMLL-APWZRJJASA-N 2 2 333.476 1.974 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273621908 443583011 /nfs/dbraw/zinc/58/30/11/443583011.db2.gz ZJSFNTRLBDEDKO-KGLIPLIRSA-N 2 2 335.448 1.465 20 10 EDCDLP CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362796 446103784 /nfs/dbraw/zinc/10/37/84/446103784.db2.gz HWMUDWQXKFRXPO-INIZCTEOSA-N 2 2 346.475 1.702 20 10 EDCDLP CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362796 446103790 /nfs/dbraw/zinc/10/37/90/446103790.db2.gz HWMUDWQXKFRXPO-INIZCTEOSA-N 2 2 346.475 1.702 20 10 EDCDLP COc1c(O)c(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000365803219 446349229 /nfs/dbraw/zinc/34/92/29/446349229.db2.gz AFTWZTLQCIEVKV-LBPRGKRZSA-N 2 2 332.360 1.919 20 10 EDCDLP COc1ccc(O)c([C@@H](C)[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000372500342 447092295 /nfs/dbraw/zinc/09/22/95/447092295.db2.gz BRMCEKWVTOVZKV-CQSZACIVSA-N 2 2 347.459 1.700 20 10 EDCDLP COc1ccc(O)c([C@@H](C)[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000372500342 447092301 /nfs/dbraw/zinc/09/23/01/447092301.db2.gz BRMCEKWVTOVZKV-CQSZACIVSA-N 2 2 347.459 1.700 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000754023394 579894221 /nfs/dbraw/zinc/89/42/21/579894221.db2.gz ALTDAOFVUHWKDJ-FUHWJXTLSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000754023394 579894222 /nfs/dbraw/zinc/89/42/22/579894222.db2.gz ALTDAOFVUHWKDJ-FUHWJXTLSA-N 2 2 333.476 1.520 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CCC3CC3)CC2)cc1 ZINC000754071222 579895524 /nfs/dbraw/zinc/89/55/24/579895524.db2.gz NMTPTEKVNMWXRT-LJQANCHMSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CCC3CC3)CC2)cc1 ZINC000754071222 579895525 /nfs/dbraw/zinc/89/55/25/579895525.db2.gz NMTPTEKVNMWXRT-LJQANCHMSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000891487316 591089879 /nfs/dbraw/zinc/08/98/79/591089879.db2.gz CNRJDILXLKPQHV-ZIAGYGMSSA-N 2 2 332.448 1.795 20 10 EDCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000817888734 593645363 /nfs/dbraw/zinc/64/53/63/593645363.db2.gz JSWIUQUBVCZQLG-QGPMSJSTSA-N 2 2 330.476 1.618 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000819309164 593749913 /nfs/dbraw/zinc/74/99/13/593749913.db2.gz LWBYPAYAMXNYKF-HKUYNNGSSA-N 2 2 347.503 1.956 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000824583501 594042682 /nfs/dbraw/zinc/04/26/82/594042682.db2.gz NOWJEXHVGKPGJY-CYBMUJFWSA-N 2 2 339.392 1.245 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000824583501 594042684 /nfs/dbraw/zinc/04/26/84/594042684.db2.gz NOWJEXHVGKPGJY-CYBMUJFWSA-N 2 2 339.392 1.245 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843357145 595086517 /nfs/dbraw/zinc/08/65/17/595086517.db2.gz DVJPSWIMQHNHIO-QGZVFWFLSA-N 2 2 344.434 1.948 20 10 EDCDLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843357145 595086521 /nfs/dbraw/zinc/08/65/21/595086521.db2.gz DVJPSWIMQHNHIO-QGZVFWFLSA-N 2 2 344.434 1.948 20 10 EDCDLP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063366 595277580 /nfs/dbraw/zinc/27/75/80/595277580.db2.gz ABDHNHMPXMQJDY-MEDHRJKHSA-N 2 2 342.487 1.662 20 10 EDCDLP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063366 595277581 /nfs/dbraw/zinc/27/75/81/595277581.db2.gz ABDHNHMPXMQJDY-MEDHRJKHSA-N 2 2 342.487 1.662 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000851656769 595870294 /nfs/dbraw/zinc/87/02/94/595870294.db2.gz OUKROROHLQDCGE-UHFFFAOYSA-N 2 2 344.459 1.715 20 10 EDCDLP COCc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000883283576 597699662 /nfs/dbraw/zinc/69/96/62/597699662.db2.gz KPHCJFMWLWYDOH-UHFFFAOYSA-N 2 2 330.432 1.863 20 10 EDCDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883371086 597725748 /nfs/dbraw/zinc/72/57/48/597725748.db2.gz YOSDZKRCIRXOQA-IAGOWNOFSA-N 2 2 333.476 1.839 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372416130 250220126 /nfs/dbraw/zinc/22/01/26/250220126.db2.gz MRORPXHOKSAXFU-FUHWJXTLSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372416130 250220130 /nfs/dbraw/zinc/22/01/30/250220130.db2.gz MRORPXHOKSAXFU-FUHWJXTLSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372416130 250220133 /nfs/dbraw/zinc/22/01/33/250220133.db2.gz MRORPXHOKSAXFU-FUHWJXTLSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372416130 250220136 /nfs/dbraw/zinc/22/01/36/250220136.db2.gz MRORPXHOKSAXFU-FUHWJXTLSA-N 2 2 333.476 1.537 20 10 EDCDLP COc1ccc(O)c(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427175 /nfs/dbraw/zinc/42/71/75/447427175.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1ccc(O)c(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427181 /nfs/dbraw/zinc/42/71/81/447427181.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427186 /nfs/dbraw/zinc/42/71/86/447427186.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427192 /nfs/dbraw/zinc/42/71/92/447427192.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 2 2 349.475 1.238 20 10 EDCDLP COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160294502 441871152 /nfs/dbraw/zinc/87/11/52/441871152.db2.gz OBSHHUCQHDTDMV-CQSZACIVSA-N 2 2 336.432 1.564 20 10 EDCDLP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000160294502 441871155 /nfs/dbraw/zinc/87/11/55/441871155.db2.gz OBSHHUCQHDTDMV-CQSZACIVSA-N 2 2 336.432 1.564 20 10 EDCDLP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000263861568 443240716 /nfs/dbraw/zinc/24/07/16/443240716.db2.gz VJJIYCYZEFNDFX-INIZCTEOSA-N 2 2 348.491 1.322 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273621912 443583432 /nfs/dbraw/zinc/58/34/32/443583432.db2.gz ZJSFNTRLBDEDKO-ZIAGYGMSSA-N 2 2 335.448 1.465 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000295268646 444174187 /nfs/dbraw/zinc/17/41/87/444174187.db2.gz VLKAFOXMPFYQGM-HNNXBMFYSA-N 2 2 346.475 1.074 20 10 EDCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000359955039 445503070 /nfs/dbraw/zinc/50/30/70/445503070.db2.gz AQALRGFXVWHXPA-DLBZAZTESA-N 2 2 333.476 1.758 20 10 EDCDLP OCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000729931020 578603107 /nfs/dbraw/zinc/60/31/07/578603107.db2.gz XYWSIUUACSTFCL-UHFFFAOYSA-N 2 2 329.238 1.701 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CC(C)C)CC2)cc1 ZINC000754016003 579893933 /nfs/dbraw/zinc/89/39/33/579893933.db2.gz ZKUHKXLGXWFXDC-GOSISDBHSA-N 2 2 335.492 1.766 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CC(C)C)CC2)cc1 ZINC000754016003 579893934 /nfs/dbraw/zinc/89/39/34/579893934.db2.gz ZKUHKXLGXWFXDC-GOSISDBHSA-N 2 2 335.492 1.766 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000891247108 591016503 /nfs/dbraw/zinc/01/65/03/591016503.db2.gz FCWHVFPRQHOQNX-GOSISDBHSA-N 2 2 343.475 1.838 20 10 EDCDLP COc1cc(Br)cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000841101554 594851315 /nfs/dbraw/zinc/85/13/15/594851315.db2.gz YINNAVNLRJLWSW-GFCCVEGCSA-N 2 2 345.237 1.713 20 10 EDCDLP COc1cc(Br)cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000841101554 594851316 /nfs/dbraw/zinc/85/13/16/594851316.db2.gz YINNAVNLRJLWSW-GFCCVEGCSA-N 2 2 345.237 1.713 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNc3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000865475982 596585759 /nfs/dbraw/zinc/58/57/59/596585759.db2.gz HZUPTMRPAVOPDL-UHFFFAOYSA-N 2 2 343.435 1.005 20 10 EDCDLP Cn1ncc2c1nc[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880161 598093805 /nfs/dbraw/zinc/09/38/05/598093805.db2.gz DVYITQFPYHLQPE-UHFFFAOYSA-N 2 2 337.431 1.727 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1C ZINC000939400501 699549612 /nfs/dbraw/zinc/54/96/12/699549612.db2.gz OMYHVMFXIHMLNS-GOEBONIOSA-N 2 2 342.443 1.906 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427789 /nfs/dbraw/zinc/42/77/89/447427789.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427796 /nfs/dbraw/zinc/42/77/96/447427796.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427802 /nfs/dbraw/zinc/42/78/02/447427802.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427805 /nfs/dbraw/zinc/42/78/05/447427805.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 2 2 333.476 1.537 20 10 EDCDLP CC[N@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000754044584 579894602 /nfs/dbraw/zinc/89/46/02/579894602.db2.gz ZPOXBIVCNUTQEN-LJQANCHMSA-N 2 2 347.503 1.910 20 10 EDCDLP CC[N@@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000754044584 579894603 /nfs/dbraw/zinc/89/46/03/579894603.db2.gz ZPOXBIVCNUTQEN-LJQANCHMSA-N 2 2 347.503 1.910 20 10 EDCDLP CCOCCN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775647894 580396209 /nfs/dbraw/zinc/39/62/09/580396209.db2.gz GSXLNCAJYPJQGB-UHFFFAOYSA-N 2 2 346.519 1.593 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567308 580795644 /nfs/dbraw/zinc/79/56/44/580795644.db2.gz JJPWVWLWELRDGQ-JZXOWHBKSA-N 2 2 333.476 1.661 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567308 580795645 /nfs/dbraw/zinc/79/56/45/580795645.db2.gz JJPWVWLWELRDGQ-JZXOWHBKSA-N 2 2 333.476 1.661 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CCCCF)CC2)cc1 ZINC000819325457 593750820 /nfs/dbraw/zinc/75/08/20/593750820.db2.gz DFAYKIKNXXQBRV-KRWDZBQOSA-N 2 2 339.455 1.517 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC[C@@H](C)F)CC2)cc1 ZINC000819334152 593750967 /nfs/dbraw/zinc/75/09/67/593750967.db2.gz VTSMQSMBDDFUFQ-WBVHZDCISA-N 2 2 339.455 1.516 20 10 EDCDLP Cc1cc(O)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000840888576 594823603 /nfs/dbraw/zinc/82/36/03/594823603.db2.gz AZJGSKHLPZSZQF-UHFFFAOYSA-N 2 2 325.840 1.608 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866716827 596307928 /nfs/dbraw/zinc/30/79/28/596307928.db2.gz RXQOFEDVXSFORH-AEFFLSMTSA-N 2 2 330.476 1.443 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866716827 596307933 /nfs/dbraw/zinc/30/79/33/596307933.db2.gz RXQOFEDVXSFORH-AEFFLSMTSA-N 2 2 330.476 1.443 20 10 EDCDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C)cc(C)c1O ZINC000799145213 581018827 /nfs/dbraw/zinc/01/88/27/581018827.db2.gz NPIXAYFPSKLWJC-UHFFFAOYSA-N 2 2 349.475 1.231 20 10 EDCDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C)cc(C)c1O ZINC000799145213 581018828 /nfs/dbraw/zinc/01/88/28/581018828.db2.gz NPIXAYFPSKLWJC-UHFFFAOYSA-N 2 2 349.475 1.231 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)NCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000898612159 591438912 /nfs/dbraw/zinc/43/89/12/591438912.db2.gz GXHWZXNPOXBMIC-QGZVFWFLSA-N 2 2 344.463 1.588 20 10 EDCDLP Cc1cc(Br)c(O)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904396981 592244235 /nfs/dbraw/zinc/24/42/35/592244235.db2.gz UNILCOZHQJDIMV-UHFFFAOYSA-N 2 2 328.254 1.458 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892594 593645921 /nfs/dbraw/zinc/64/59/21/593645921.db2.gz BFZKJFYYKPOLTJ-YLJYHZDGSA-N 2 2 346.519 1.937 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892594 593645923 /nfs/dbraw/zinc/64/59/23/593645923.db2.gz BFZKJFYYKPOLTJ-YLJYHZDGSA-N 2 2 346.519 1.937 20 10 EDCDLP Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000840913610 594826668 /nfs/dbraw/zinc/82/66/68/594826668.db2.gz IRAXFTMEXYEGBV-UHFFFAOYSA-N 2 2 344.503 1.801 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843384826 595095578 /nfs/dbraw/zinc/09/55/78/595095578.db2.gz BJEMGZVRNCGGKD-HNNXBMFYSA-N 2 2 337.851 1.728 20 10 EDCDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844227565 595310326 /nfs/dbraw/zinc/31/03/26/595310326.db2.gz ZLPHPKXIDNILPX-ZRGWGRIASA-N 2 2 332.492 1.687 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])N3CCCCC3)CC2)cc1 ZINC000849067614 595477492 /nfs/dbraw/zinc/47/74/92/595477492.db2.gz PIMZXCYKHNHTJO-UHFFFAOYSA-N 2 2 345.491 1.827 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717090 596308435 /nfs/dbraw/zinc/30/84/35/596308435.db2.gz VNEGXBZWKSUDEN-MJGOQNOKSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717090 596308436 /nfs/dbraw/zinc/30/84/36/596308436.db2.gz VNEGXBZWKSUDEN-MJGOQNOKSA-N 2 2 344.503 1.785 20 10 EDCDLP Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000883371520 597725695 /nfs/dbraw/zinc/72/56/95/597725695.db2.gz NWLPJLJFGWWMGZ-ROUUACIJSA-N 2 2 345.487 1.766 20 10 EDCDLP Oc1cccc2c1[C@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000883371521 597726332 /nfs/dbraw/zinc/72/63/32/597726332.db2.gz NWLPJLJFGWWMGZ-ZWKOTPCHSA-N 2 2 345.487 1.766 20 10 EDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000180032563 442531679 /nfs/dbraw/zinc/53/16/79/442531679.db2.gz SPPUKQSRAKBWOB-UHFFFAOYSA-N 2 2 335.448 1.387 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000180617191 442634938 /nfs/dbraw/zinc/63/49/38/442634938.db2.gz RWRFVTDTXHSCSK-INIZCTEOSA-N 2 2 333.432 1.139 20 10 EDCDLP COc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000180617191 442634944 /nfs/dbraw/zinc/63/49/44/442634944.db2.gz RWRFVTDTXHSCSK-INIZCTEOSA-N 2 2 333.432 1.139 20 10 EDCDLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1O ZINC000187697901 442686609 /nfs/dbraw/zinc/68/66/09/442686609.db2.gz NGUQTCPPMSYJEF-NSHDSACASA-N 2 2 327.375 1.485 20 10 EDCDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000299215089 443985128 /nfs/dbraw/zinc/98/51/28/443985128.db2.gz HVJUDELAWKRSHL-CRAIPNDOSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000299215089 443985130 /nfs/dbraw/zinc/98/51/30/443985130.db2.gz HVJUDELAWKRSHL-CRAIPNDOSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215089 443985132 /nfs/dbraw/zinc/98/51/32/443985132.db2.gz HVJUDELAWKRSHL-CRAIPNDOSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215089 443985133 /nfs/dbraw/zinc/98/51/33/443985133.db2.gz HVJUDELAWKRSHL-CRAIPNDOSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000762787445 580083232 /nfs/dbraw/zinc/08/32/32/580083232.db2.gz MNRMFESAJOQIBC-YGRLFVJLSA-N 2 2 329.238 1.872 20 10 EDCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000762787445 580083233 /nfs/dbraw/zinc/08/32/33/580083233.db2.gz MNRMFESAJOQIBC-YGRLFVJLSA-N 2 2 329.238 1.872 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000800392747 581052171 /nfs/dbraw/zinc/05/21/71/581052171.db2.gz YTYAQHMVSURSNR-HQRMLTQVSA-N 2 2 347.503 1.956 20 10 EDCDLP Cc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000895688753 591249832 /nfs/dbraw/zinc/24/98/32/591249832.db2.gz YHLDMGBOKLBQLZ-SFHVURJKSA-N 2 2 333.476 1.587 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)[NH+](C)C)cc1 ZINC000902516811 592009107 /nfs/dbraw/zinc/00/91/07/592009107.db2.gz GXMQFQKWJGACSL-WUOIFLIFSA-N 3 2 346.519 1.697 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903857516 592348089 /nfs/dbraw/zinc/34/80/89/592348089.db2.gz VETWMJGVHVMOCW-APWZRJJASA-N 2 2 330.476 1.524 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903857516 592348093 /nfs/dbraw/zinc/34/80/93/592348093.db2.gz VETWMJGVHVMOCW-APWZRJJASA-N 2 2 330.476 1.524 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000817897415 593646752 /nfs/dbraw/zinc/64/67/52/593646752.db2.gz OMISIKXXBYUZQI-FXAWDEMLSA-N 3 2 346.519 1.924 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3(C)CC3)CC2)cc1 ZINC000819129466 593740364 /nfs/dbraw/zinc/74/03/64/593740364.db2.gz JMHZJUFAXVHBIF-KRWDZBQOSA-N 2 2 333.476 1.568 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000841779382 594951229 /nfs/dbraw/zinc/95/12/29/594951229.db2.gz RFXQSOQHEZAHGR-KRWDZBQOSA-N 2 2 332.448 1.701 20 10 EDCDLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843065899 595279236 /nfs/dbraw/zinc/27/92/36/595279236.db2.gz RBNASCJFOIMNSU-OAHLLOKOSA-N 2 2 337.851 1.750 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NCCC(C)C)CC2)cc1 ZINC000849066673 595477516 /nfs/dbraw/zinc/47/75/16/595477516.db2.gz MJPSKXKBXUWBAY-UHFFFAOYSA-N 2 2 347.507 1.977 20 10 EDCDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000852747190 596237732 /nfs/dbraw/zinc/23/77/32/596237732.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 2 2 329.238 1.965 20 10 EDCDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000852747190 596237733 /nfs/dbraw/zinc/23/77/33/596237733.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 2 2 329.238 1.965 20 10 EDCDLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1C ZINC000939856558 699995325 /nfs/dbraw/zinc/99/53/25/699995325.db2.gz OHFLXLVGXPCLRM-RDJZCZTQSA-N 2 2 342.443 1.837 20 10 EDCDLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1O ZINC000368010741 250198274 /nfs/dbraw/zinc/19/82/74/250198274.db2.gz ZTMRICGPPBVQHU-AWEZNQCLSA-N 2 2 347.459 1.647 20 10 EDCDLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1O ZINC000368010741 250198277 /nfs/dbraw/zinc/19/82/77/250198277.db2.gz ZTMRICGPPBVQHU-AWEZNQCLSA-N 2 2 347.459 1.647 20 10 EDCDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000363704632 445870631 /nfs/dbraw/zinc/87/06/31/445870631.db2.gz HQYASNGZPPHQRZ-WMZOPIPTSA-N 2 2 333.476 1.839 20 10 EDCDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000366301432 446138175 /nfs/dbraw/zinc/13/81/75/446138175.db2.gz XOCHIROECASRBJ-HKUYNNGSSA-N 2 2 346.519 1.810 20 10 EDCDLP Cc1cc(O)c(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000371381895 446821809 /nfs/dbraw/zinc/82/18/09/446821809.db2.gz GNPVGFSECBDDER-GOSISDBHSA-N 2 2 333.476 1.457 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000905416475 592524752 /nfs/dbraw/zinc/52/47/52/592524752.db2.gz BTMOFIGZIDXWCT-MJGOQNOKSA-N 2 2 345.487 1.734 20 10 EDCDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817888738 593645577 /nfs/dbraw/zinc/64/55/77/593645577.db2.gz JSWIUQUBVCZQLG-ZVZYQTTQSA-N 2 2 330.476 1.618 20 10 EDCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888637 593645611 /nfs/dbraw/zinc/64/56/11/593645611.db2.gz NWQDIOAHCBSASC-HOCLYGCPSA-N 2 2 337.439 1.519 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817894586 593646408 /nfs/dbraw/zinc/64/64/08/593646408.db2.gz NCICGVZTVAUJPI-RTBURBONSA-N 2 2 331.460 1.380 20 10 EDCDLP COc1c(O)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000827884651 594296932 /nfs/dbraw/zinc/29/69/32/594296932.db2.gz FMZTVICMKXIOPR-UHFFFAOYSA-N 2 2 347.375 1.365 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C)C3)CC2)cc1 ZINC000842659921 595162345 /nfs/dbraw/zinc/16/23/45/595162345.db2.gz FGEYQHYQXLMKET-SJORKVTESA-N 2 2 333.476 1.974 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717091 596308232 /nfs/dbraw/zinc/30/82/32/596308232.db2.gz VNEGXBZWKSUDEN-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717091 596308237 /nfs/dbraw/zinc/30/82/37/596308237.db2.gz VNEGXBZWKSUDEN-PKOBYXMFSA-N 2 2 344.503 1.785 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2)CC1 ZINC000881853760 597755737 /nfs/dbraw/zinc/75/57/37/597755737.db2.gz JTOYJVJADAXRRV-UHFFFAOYSA-N 2 2 327.432 1.411 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218849 /nfs/dbraw/zinc/21/88/49/250218849.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218853 /nfs/dbraw/zinc/21/88/53/250218853.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218857 /nfs/dbraw/zinc/21/88/57/250218857.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 2 2 346.519 1.589 20 10 EDCDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218861 /nfs/dbraw/zinc/21/88/61/250218861.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 2 2 346.519 1.589 20 10 EDCDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(O)c3O)CC2)CC1 ZINC000192993992 442704071 /nfs/dbraw/zinc/70/40/71/442704071.db2.gz MDNBUDGHAFMINS-UHFFFAOYSA-N 2 2 333.432 1.386 20 10 EDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000186063472 443305104 /nfs/dbraw/zinc/30/51/04/443305104.db2.gz MFJYQTFVUSEQGZ-HZPDHXFCSA-N 2 2 347.459 1.284 20 10 EDCDLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)S1 ZINC000271212097 443495831 /nfs/dbraw/zinc/49/58/31/443495831.db2.gz VACAWNYXTOCLPD-NSHDSACASA-N 2 2 335.429 1.730 20 10 EDCDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000371377885 446816776 /nfs/dbraw/zinc/81/67/76/446816776.db2.gz GGGVZPJRMJNVAK-HXUWFJFHSA-N 2 2 346.519 1.591 20 10 EDCDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000371377885 446816784 /nfs/dbraw/zinc/81/67/84/446816784.db2.gz GGGVZPJRMJNVAK-HXUWFJFHSA-N 2 2 346.519 1.591 20 10 EDCDLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)CC1 ZINC000371424645 446847185 /nfs/dbraw/zinc/84/71/85/446847185.db2.gz IJWRCHSFBXOMSU-OAHLLOKOSA-N 2 2 339.867 1.494 20 10 EDCDLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)CC1 ZINC000371424645 446847194 /nfs/dbraw/zinc/84/71/94/446847194.db2.gz IJWRCHSFBXOMSU-OAHLLOKOSA-N 2 2 339.867 1.494 20 10 EDCDLP Cn1cc[nH+]c1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000729986320 578606127 /nfs/dbraw/zinc/60/61/27/578606127.db2.gz WHLOKRULYRZVBU-UHFFFAOYSA-N 2 2 326.444 1.932 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000891488909 591091004 /nfs/dbraw/zinc/09/10/04/591091004.db2.gz NKCURVRVZTWHIU-IYBDPMFKSA-N 2 2 344.459 1.810 20 10 EDCDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146875 593264212 /nfs/dbraw/zinc/26/42/12/593264212.db2.gz YPEPNWDWLUPAES-MLGOLLRUSA-N 2 2 325.403 1.841 20 10 EDCDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146875 593264213 /nfs/dbraw/zinc/26/42/13/593264213.db2.gz YPEPNWDWLUPAES-MLGOLLRUSA-N 2 2 325.403 1.841 20 10 EDCDLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839503475 593311910 /nfs/dbraw/zinc/31/19/10/593311910.db2.gz LWNJKFXYXWTDFX-UHFFFAOYSA-N 2 2 332.492 1.785 20 10 EDCDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839503475 593311913 /nfs/dbraw/zinc/31/19/13/593311913.db2.gz LWNJKFXYXWTDFX-UHFFFAOYSA-N 2 2 332.492 1.785 20 10 EDCDLP COc1cccc(O)c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000815156945 593618488 /nfs/dbraw/zinc/61/84/88/593618488.db2.gz VMPQDHRWRAQZJO-QGZVFWFLSA-N 2 2 342.439 1.910 20 10 EDCDLP COc1cccc(O)c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000815156945 593618489 /nfs/dbraw/zinc/61/84/89/593618489.db2.gz VMPQDHRWRAQZJO-QGZVFWFLSA-N 2 2 342.439 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3C[C@@H]3C)CC2)cc1 ZINC000818956465 593730413 /nfs/dbraw/zinc/73/04/13/593730413.db2.gz LZKIBKYMQACUPY-LZLYRXPVSA-N 2 2 333.476 1.424 20 10 EDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069986 594847308 /nfs/dbraw/zinc/84/73/08/594847308.db2.gz HUIZMTAAMABQJD-GFCCVEGCSA-N 2 2 337.773 1.971 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000841778738 594950762 /nfs/dbraw/zinc/95/07/62/594950762.db2.gz FJKBDULPLHTKCK-KRWDZBQOSA-N 2 2 334.464 1.947 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000846707034 595304999 /nfs/dbraw/zinc/30/49/99/595304999.db2.gz CJBUHZOEQKVQQQ-HZPDHXFCSA-N 2 2 346.475 1.155 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000846707034 595305001 /nfs/dbraw/zinc/30/50/01/595305001.db2.gz CJBUHZOEQKVQQQ-HZPDHXFCSA-N 2 2 346.475 1.155 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844222762 595307586 /nfs/dbraw/zinc/30/75/86/595307586.db2.gz LCSDNANKSMUCAI-IBGZPJMESA-N 2 2 330.476 1.396 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844222762 595307589 /nfs/dbraw/zinc/30/75/89/595307589.db2.gz LCSDNANKSMUCAI-IBGZPJMESA-N 2 2 330.476 1.396 20 10 EDCDLP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000848527359 595402881 /nfs/dbraw/zinc/40/28/81/595402881.db2.gz AFZJKPQKNMNITB-MWLCHTKSSA-N 2 2 347.253 1.736 20 10 EDCDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000299215094 443984970 /nfs/dbraw/zinc/98/49/70/443984970.db2.gz HVJUDELAWKRSHL-MAUKXSAKSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000299215094 443984975 /nfs/dbraw/zinc/98/49/75/443984975.db2.gz HVJUDELAWKRSHL-MAUKXSAKSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215094 443984980 /nfs/dbraw/zinc/98/49/80/443984980.db2.gz HVJUDELAWKRSHL-MAUKXSAKSA-N 2 2 332.492 1.783 20 10 EDCDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000299215094 443984983 /nfs/dbraw/zinc/98/49/83/443984983.db2.gz HVJUDELAWKRSHL-MAUKXSAKSA-N 2 2 332.492 1.783 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3C[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000754048511 579894806 /nfs/dbraw/zinc/89/48/06/579894806.db2.gz GDCHFDVNUMHVLI-ZIFCJYIRSA-N 2 2 347.503 1.766 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3C[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000754048511 579894807 /nfs/dbraw/zinc/89/48/07/579894807.db2.gz GDCHFDVNUMHVLI-ZIFCJYIRSA-N 2 2 347.503 1.766 20 10 EDCDLP CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651450 580932840 /nfs/dbraw/zinc/93/28/40/580932840.db2.gz YTJQJMIHBCIFJU-WMZOPIPTSA-N 2 2 333.476 1.662 20 10 EDCDLP CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795651450 580932841 /nfs/dbraw/zinc/93/28/41/580932841.db2.gz YTJQJMIHBCIFJU-WMZOPIPTSA-N 2 2 333.476 1.662 20 10 EDCDLP Cc1ccc(C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)c(O)c1 ZINC000897573402 591562178 /nfs/dbraw/zinc/56/21/78/591562178.db2.gz HOTVWUGSELUADU-UHFFFAOYSA-N 2 2 340.431 1.667 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000818956467 593730253 /nfs/dbraw/zinc/73/02/53/593730253.db2.gz LZKIBKYMQACUPY-XYJFISCASA-N 2 2 333.476 1.424 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000841779827 594950993 /nfs/dbraw/zinc/95/09/93/594950993.db2.gz ZQJLYMYYFYHMNG-GASCZTMLSA-N 2 2 344.459 1.525 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000842475061 595114014 /nfs/dbraw/zinc/11/40/14/595114014.db2.gz JUTNXVQDWHMNBT-OAHLLOKOSA-N 2 2 337.851 1.728 20 10 EDCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000842475061 595114019 /nfs/dbraw/zinc/11/40/19/595114019.db2.gz JUTNXVQDWHMNBT-OAHLLOKOSA-N 2 2 337.851 1.728 20 10 EDCDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000865658455 596641679 /nfs/dbraw/zinc/64/16/79/596641679.db2.gz OQCSKGZNWHBFKV-KRWDZBQOSA-N 2 2 333.476 1.458 20 10 EDCDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000865658455 596641680 /nfs/dbraw/zinc/64/16/80/596641680.db2.gz OQCSKGZNWHBFKV-KRWDZBQOSA-N 2 2 333.476 1.458 20 10 EDCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000883371519 597725555 /nfs/dbraw/zinc/72/55/55/597725555.db2.gz NWLPJLJFGWWMGZ-QZTJIDSGSA-N 2 2 345.487 1.766 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601738 443582033 /nfs/dbraw/zinc/58/20/33/443582033.db2.gz SBIHIKNBDDNJPS-GJZGRUSLSA-N 2 2 349.475 1.713 20 10 EDCDLP COc1cc(Br)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000770394434 580259454 /nfs/dbraw/zinc/25/94/54/580259454.db2.gz IMCVXCYITAJBOV-PHIMTYICSA-N 2 2 327.222 1.815 20 10 EDCDLP COc1cc(Br)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000770394434 580259455 /nfs/dbraw/zinc/25/94/55/580259455.db2.gz IMCVXCYITAJBOV-PHIMTYICSA-N 2 2 327.222 1.815 20 10 EDCDLP C[C@@H](O)CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848278 /nfs/dbraw/zinc/84/82/78/580848278.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 2 2 346.519 1.325 20 10 EDCDLP C[C@@H](O)CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848279 /nfs/dbraw/zinc/84/82/79/580848279.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 2 2 346.519 1.325 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC000900507937 592040543 /nfs/dbraw/zinc/04/05/43/592040543.db2.gz JXIGSNZFMRVKHX-LPHOPBHVSA-N 2 2 347.459 1.235 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000900507937 592040546 /nfs/dbraw/zinc/04/05/46/592040546.db2.gz JXIGSNZFMRVKHX-LPHOPBHVSA-N 2 2 347.459 1.235 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469756 592175164 /nfs/dbraw/zinc/17/51/64/592175164.db2.gz BTGRGFFTKVHCMC-KRWDZBQOSA-N 2 2 330.476 1.585 20 10 EDCDLP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1N(C)C ZINC000815073787 593613603 /nfs/dbraw/zinc/61/36/03/593613603.db2.gz AHUCRFXIXRSDHS-IBGZPJMESA-N 2 2 344.503 1.975 20 10 EDCDLP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1N(C)C ZINC000815073787 593613604 /nfs/dbraw/zinc/61/36/04/593613604.db2.gz AHUCRFXIXRSDHS-IBGZPJMESA-N 2 2 344.503 1.975 20 10 EDCDLP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894032 593646271 /nfs/dbraw/zinc/64/62/71/593646271.db2.gz WXDMWEZYPMDNPG-YOEHRIQHSA-N 2 2 337.489 1.152 20 10 EDCDLP COC[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCC[NH2+]1 ZINC000841066760 594846989 /nfs/dbraw/zinc/84/69/89/594846989.db2.gz GTFGECLVPUTQCA-HNNXBMFYSA-N 2 2 325.365 1.167 20 10 EDCDLP COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841077591 594848264 /nfs/dbraw/zinc/84/82/64/594848264.db2.gz CCYQCJLOILJCRS-QWRGUYRKSA-N 2 2 333.201 1.953 20 10 EDCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000841087715 594849773 /nfs/dbraw/zinc/84/97/73/594849773.db2.gz VDRMAZKOJZSGBM-GFCCVEGCSA-N 2 2 329.238 1.931 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841779201 594951064 /nfs/dbraw/zinc/95/10/64/594951064.db2.gz NLWJAKVJXBDCLC-HNNXBMFYSA-N 2 2 332.448 1.715 20 10 EDCDLP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147108 595156638 /nfs/dbraw/zinc/15/66/38/595156638.db2.gz TUINKLRVJNANAX-GDBMZVCRSA-N 2 2 349.475 1.994 20 10 EDCDLP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147108 595156641 /nfs/dbraw/zinc/15/66/41/595156641.db2.gz TUINKLRVJNANAX-GDBMZVCRSA-N 2 2 349.475 1.994 20 10 EDCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000843065374 595278650 /nfs/dbraw/zinc/27/86/50/595278650.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N 2 2 337.851 1.750 20 10 EDCDLP Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000843065374 595278651 /nfs/dbraw/zinc/27/86/51/595278651.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N 2 2 337.851 1.750 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224894 595308367 /nfs/dbraw/zinc/30/83/67/595308367.db2.gz KKTFDZVSLQYUNF-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224894 595308369 /nfs/dbraw/zinc/30/83/69/595308369.db2.gz KKTFDZVSLQYUNF-HXUWFJFHSA-N 2 2 344.503 1.787 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnn(C(C)(C)C)n3)cc2)CC1 ZINC000848564593 595405997 /nfs/dbraw/zinc/40/59/97/595405997.db2.gz PADFFAFNUPRPDO-UHFFFAOYSA-N 2 2 343.479 1.470 20 10 EDCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NC3CCC3)CC2)cc1 ZINC000849111660 595483872 /nfs/dbraw/zinc/48/38/72/595483872.db2.gz YZOCQNLFEMFLNZ-UHFFFAOYSA-N 2 2 331.464 1.484 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC4CC3(C)C4)CC2)cc1 ZINC000852786963 595542792 /nfs/dbraw/zinc/54/27/92/595542792.db2.gz QPONPBSJDPDKOF-KGXSXCIVSA-N 2 2 345.487 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC4CC3(C)C4)CC2)cc1 ZINC000852786963 595542793 /nfs/dbraw/zinc/54/27/93/595542793.db2.gz QPONPBSJDPDKOF-KGXSXCIVSA-N 2 2 345.487 1.662 20 10 EDCDLP CN(C)c1ccc(/C=C\C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858228104 595736539 /nfs/dbraw/zinc/73/65/39/595736539.db2.gz YTCRHWDOGILLLS-CJISVDGZSA-N 2 2 330.476 1.695 20 10 EDCDLP CN(C)c1ccc(/C=C\C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858228104 595736542 /nfs/dbraw/zinc/73/65/42/595736542.db2.gz YTCRHWDOGILLLS-CJISVDGZSA-N 2 2 330.476 1.695 20 10 EDCDLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599286 595838310 /nfs/dbraw/zinc/83/83/10/595838310.db2.gz MHNCHTNADZURCA-ZBFHGGJFSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599286 595838311 /nfs/dbraw/zinc/83/83/11/595838311.db2.gz MHNCHTNADZURCA-ZBFHGGJFSA-N 2 2 337.439 1.380 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1C ZINC000939211469 699360022 /nfs/dbraw/zinc/36/00/22/699360022.db2.gz SDJUHDUNWXWQCT-RHSMWYFYSA-N 2 2 342.443 1.906 20 10 EDCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000359957148 201119241 /nfs/dbraw/zinc/11/92/41/201119241.db2.gz GNOHXFGAOUHVHW-SJORKVTESA-N 2 2 333.476 1.758 20 10 EDCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093045070 528085399 /nfs/dbraw/zinc/08/53/99/528085399.db2.gz GNDRSMQGYHYECH-UHFFFAOYSA-N 2 2 332.492 1.739 20 10 EDCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000756555740 579952319 /nfs/dbraw/zinc/95/23/19/579952319.db2.gz LYPJAGNNMGJTDD-SCZZXKLOSA-N 2 2 335.217 1.867 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC=CCC3)CC2)cc1 ZINC000754260625 579899743 /nfs/dbraw/zinc/89/97/43/579899743.db2.gz CDYPFQUBHYYPLI-GOSISDBHSA-N 2 2 331.460 1.440 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC=CCC3)CC2)cc1 ZINC000754260625 579899744 /nfs/dbraw/zinc/89/97/44/579899744.db2.gz CDYPFQUBHYYPLI-GOSISDBHSA-N 2 2 331.460 1.440 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000754358976 579901786 /nfs/dbraw/zinc/90/17/86/579901786.db2.gz QCGVICBJUCVESK-GOSISDBHSA-N 2 2 345.487 1.710 20 10 EDCDLP CC[N@H+](CCO)CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000768945309 580224740 /nfs/dbraw/zinc/22/47/40/580224740.db2.gz ICLDHQWNCFSIOF-UHFFFAOYSA-N 2 2 331.254 1.867 20 10 EDCDLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000768945309 580224741 /nfs/dbraw/zinc/22/47/41/580224741.db2.gz ICLDHQWNCFSIOF-UHFFFAOYSA-N 2 2 331.254 1.867 20 10 EDCDLP CCOCCOC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779432180 580485529 /nfs/dbraw/zinc/48/55/29/580485529.db2.gz MXFOAYRCWSEFLS-UHFFFAOYSA-N 2 2 333.476 1.676 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857522 592348524 /nfs/dbraw/zinc/34/85/24/592348524.db2.gz VETWMJGVHVMOCW-VQIMIIECSA-N 2 2 330.476 1.524 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857522 592348527 /nfs/dbraw/zinc/34/85/27/592348527.db2.gz VETWMJGVHVMOCW-VQIMIIECSA-N 2 2 330.476 1.524 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000802653777 593268552 /nfs/dbraw/zinc/26/85/52/593268552.db2.gz SLYOBCWGFFJDBD-MRXNPFEDSA-N 2 2 325.403 1.904 20 10 EDCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000802653777 593268554 /nfs/dbraw/zinc/26/85/54/593268554.db2.gz SLYOBCWGFFJDBD-MRXNPFEDSA-N 2 2 325.403 1.904 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH+]3CC(C4CC4)C3)CC2)cc1 ZINC000812312753 593495769 /nfs/dbraw/zinc/49/57/69/593495769.db2.gz FTUMBKXAFMPYIU-LJQANCHMSA-N 2 2 345.487 1.520 20 10 EDCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888636 593645341 /nfs/dbraw/zinc/64/53/41/593645341.db2.gz NWQDIOAHCBSASC-GOEBONIOSA-N 2 2 337.439 1.519 20 10 EDCDLP COc1ccc(N2CC[NH+](CCN[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892591 593645971 /nfs/dbraw/zinc/64/59/71/593645971.db2.gz BFZKJFYYKPOLTJ-PXNSSMCTSA-N 2 2 346.519 1.937 20 10 EDCDLP COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892591 593645973 /nfs/dbraw/zinc/64/59/73/593645973.db2.gz BFZKJFYYKPOLTJ-PXNSSMCTSA-N 2 2 346.519 1.937 20 10 EDCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)c(F)cc1O ZINC000817983970 593653341 /nfs/dbraw/zinc/65/33/41/593653341.db2.gz SRWNEOQPXOYVJD-BDAKNGLRSA-N 2 2 333.201 1.933 20 10 EDCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069988 594847207 /nfs/dbraw/zinc/84/72/07/594847207.db2.gz HUIZMTAAMABQJD-LBPRGKRZSA-N 2 2 337.773 1.971 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000841778929 594950534 /nfs/dbraw/zinc/95/05/34/594950534.db2.gz HYJMREDKAQSSPV-CQSZACIVSA-N 2 2 332.448 1.797 20 10 EDCDLP Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000843122312 595292616 /nfs/dbraw/zinc/29/26/16/595292616.db2.gz QMEPWFFXXPHBFL-GFCCVEGCSA-N 2 2 328.254 1.538 20 10 EDCDLP Cc1cc(Br)c(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000843122312 595292618 /nfs/dbraw/zinc/29/26/18/595292618.db2.gz QMEPWFFXXPHBFL-GFCCVEGCSA-N 2 2 328.254 1.538 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000844225591 595308906 /nfs/dbraw/zinc/30/89/06/595308906.db2.gz RUJAHORYQBRTKS-WMZOPIPTSA-N 2 2 330.476 1.395 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000844225591 595308909 /nfs/dbraw/zinc/30/89/09/595308909.db2.gz RUJAHORYQBRTKS-WMZOPIPTSA-N 2 2 330.476 1.395 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)OCO2 ZINC000848929941 595468832 /nfs/dbraw/zinc/46/88/32/595468832.db2.gz LQRFBWADIOGTNG-OAHLLOKOSA-N 2 2 334.416 1.808 20 10 EDCDLP C[NH+](C)CCOc1ccc([N@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000877343466 597496556 /nfs/dbraw/zinc/49/65/56/597496556.db2.gz YMNXOAVQJWDUMI-UHFFFAOYSA-N 2 2 340.489 1.888 20 10 EDCDLP C[NH+](C)CCOc1ccc([N@@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000877343466 597496557 /nfs/dbraw/zinc/49/65/57/597496557.db2.gz YMNXOAVQJWDUMI-UHFFFAOYSA-N 2 2 340.489 1.888 20 10 EDCDLP C[NH+]1CCC(CNC(=O)Cc2ccc(N)cc2)([NH+]2CCCCC2)CC1 ZINC000262627493 443204628 /nfs/dbraw/zinc/20/46/28/443204628.db2.gz CGBAJMGCWQFZEM-UHFFFAOYSA-N 2 2 344.503 1.878 20 10 EDCDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000363704631 445870569 /nfs/dbraw/zinc/87/05/69/445870569.db2.gz HQYASNGZPPHQRZ-SJLPKXTDSA-N 2 2 333.476 1.839 20 10 EDCDLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000769532748 580239397 /nfs/dbraw/zinc/23/93/97/580239397.db2.gz MJSGIILRFWCMDK-KRWDZBQOSA-N 2 2 347.459 1.529 20 10 EDCDLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(O)c1 ZINC000769532748 580239398 /nfs/dbraw/zinc/23/93/98/580239398.db2.gz MJSGIILRFWCMDK-KRWDZBQOSA-N 2 2 347.459 1.529 20 10 EDCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cn(C)nn3)cc2F)CC1 ZINC000902797108 592064794 /nfs/dbraw/zinc/06/47/94/592064794.db2.gz YVHLIVOXDIVKTA-AWEZNQCLSA-N 2 2 346.454 1.947 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000815163883 593618912 /nfs/dbraw/zinc/61/89/12/593618912.db2.gz RWTGYYKLLOINNH-RYRKJORJSA-N 2 2 333.476 1.518 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000815163883 593618913 /nfs/dbraw/zinc/61/89/13/593618913.db2.gz RWTGYYKLLOINNH-RYRKJORJSA-N 2 2 333.476 1.518 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CC[C@@H]3C)CC2)cc1 ZINC000819311868 593750121 /nfs/dbraw/zinc/75/01/21/593750121.db2.gz PPOCYWUYMLSBIM-KVSKMBFKSA-N 2 2 333.476 1.566 20 10 EDCDLP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000828353233 594398822 /nfs/dbraw/zinc/39/88/22/594398822.db2.gz LEKCDDRXSCNHHA-MRXNPFEDSA-N 2 2 349.431 1.061 20 10 EDCDLP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000841778747 594950446 /nfs/dbraw/zinc/95/04/46/594950446.db2.gz FXGPCJNYAGPAFE-CQSZACIVSA-N 2 2 334.464 1.961 20 10 EDCDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843065377 595278535 /nfs/dbraw/zinc/27/85/35/595278535.db2.gz LLBPUYCYXYCDOA-IBGZPJMESA-N 2 2 344.503 1.929 20 10 EDCDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843065377 595278538 /nfs/dbraw/zinc/27/85/38/595278538.db2.gz LLBPUYCYXYCDOA-IBGZPJMESA-N 2 2 344.503 1.929 20 10 EDCDLP Cc1cc(Br)cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000843122229 595292480 /nfs/dbraw/zinc/29/24/80/595292480.db2.gz PKAAHWDSPKFIEQ-CYBMUJFWSA-N 2 2 328.254 1.538 20 10 EDCDLP Cc1cc(Br)cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000843122229 595292481 /nfs/dbraw/zinc/29/24/81/595292481.db2.gz PKAAHWDSPKFIEQ-CYBMUJFWSA-N 2 2 328.254 1.538 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3=CCCC3)CC2)cc1 ZINC000853114980 595668759 /nfs/dbraw/zinc/66/87/59/595668759.db2.gz SEOVOULQIOHNSO-IBGZPJMESA-N 2 2 345.487 1.878 20 10 EDCDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1O ZINC000359955094 201119078 /nfs/dbraw/zinc/11/90/78/201119078.db2.gz AZJPAYUBPIZTLU-GOEBONIOSA-N 2 2 337.439 1.588 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152386758 442206031 /nfs/dbraw/zinc/20/60/31/442206031.db2.gz WOYVQFUFLCMTPM-GOSISDBHSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152386758 442206033 /nfs/dbraw/zinc/20/60/33/442206033.db2.gz WOYVQFUFLCMTPM-GOSISDBHSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152386758 442206035 /nfs/dbraw/zinc/20/60/35/442206035.db2.gz WOYVQFUFLCMTPM-GOSISDBHSA-N 2 2 346.519 1.985 20 10 EDCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152386758 442206038 /nfs/dbraw/zinc/20/60/38/442206038.db2.gz WOYVQFUFLCMTPM-GOSISDBHSA-N 2 2 346.519 1.985 20 10 EDCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000273359327 443567029 /nfs/dbraw/zinc/56/70/29/443567029.db2.gz ADUAWFYOSJYAMK-KBPBESRZSA-N 2 2 336.432 1.798 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292923639 443880490 /nfs/dbraw/zinc/88/04/90/443880490.db2.gz ILLJYRHMYKHQTH-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292923639 443880493 /nfs/dbraw/zinc/88/04/93/443880493.db2.gz ILLJYRHMYKHQTH-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292923639 443880496 /nfs/dbraw/zinc/88/04/96/443880496.db2.gz ILLJYRHMYKHQTH-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292923639 443880497 /nfs/dbraw/zinc/88/04/97/443880497.db2.gz ILLJYRHMYKHQTH-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=S)NCC[NH+](C)C)CC2)cc1 ZINC000726493386 578346442 /nfs/dbraw/zinc/34/64/42/578346442.db2.gz LDJLZQWUECBTPQ-UHFFFAOYSA-N 2 2 336.505 1.690 20 10 EDCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775639474 580395867 /nfs/dbraw/zinc/39/58/67/580395867.db2.gz WUAPLMFITAJEEY-KRWDZBQOSA-N 2 2 337.489 1.057 20 10 EDCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775639474 580395868 /nfs/dbraw/zinc/39/58/68/580395868.db2.gz WUAPLMFITAJEEY-KRWDZBQOSA-N 2 2 337.489 1.057 20 10 EDCDLP COC(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775659143 580396563 /nfs/dbraw/zinc/39/65/63/580396563.db2.gz YFMSAXPVNUOVSJ-UHFFFAOYSA-N 2 2 332.448 1.322 20 10 EDCDLP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775713999 580398185 /nfs/dbraw/zinc/39/81/85/580398185.db2.gz YNGGCWHUHMIVDR-GOSISDBHSA-N 2 2 347.459 1.202 20 10 EDCDLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775713999 580398186 /nfs/dbraw/zinc/39/81/86/580398186.db2.gz YNGGCWHUHMIVDR-GOSISDBHSA-N 2 2 347.459 1.202 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000899211753 591733553 /nfs/dbraw/zinc/73/35/53/591733553.db2.gz NKHHJMQEHSXEJB-IAGOWNOFSA-N 2 2 339.443 1.581 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000899211753 591733556 /nfs/dbraw/zinc/73/35/56/591733556.db2.gz NKHHJMQEHSXEJB-IAGOWNOFSA-N 2 2 339.443 1.581 20 10 EDCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974252 592397907 /nfs/dbraw/zinc/39/79/07/592397907.db2.gz NGGCSKCPFHMHCF-SFHVURJKSA-N 2 2 345.487 1.772 20 10 EDCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888266 593645238 /nfs/dbraw/zinc/64/52/38/593645238.db2.gz CHNBPEFIWAZDTI-HFTRVMKXSA-N 2 2 330.476 1.476 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841778433 594950577 /nfs/dbraw/zinc/95/05/77/594950577.db2.gz BBFPUXMKPDHCQH-KSSFIOAISA-N 2 2 346.475 1.961 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000834383516 595107217 /nfs/dbraw/zinc/10/72/17/595107217.db2.gz UJXIZSOZTHGFFL-UYAOXDASSA-N 2 2 345.487 1.662 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842659916 595162578 /nfs/dbraw/zinc/16/25/78/595162578.db2.gz FGEYQHYQXLMKET-IRXDYDNUSA-N 2 2 333.476 1.974 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224874 595308504 /nfs/dbraw/zinc/30/85/04/595308504.db2.gz KCUSQLDPYKYTPB-LJQANCHMSA-N 2 2 330.476 1.444 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224874 595308507 /nfs/dbraw/zinc/30/85/07/595308507.db2.gz KCUSQLDPYKYTPB-LJQANCHMSA-N 2 2 330.476 1.444 20 10 EDCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848393301 595372690 /nfs/dbraw/zinc/37/26/90/595372690.db2.gz YAJXVXBESSYTJL-HOCLYGCPSA-N 2 2 327.432 1.328 20 10 EDCDLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336900 595712632 /nfs/dbraw/zinc/71/26/32/595712632.db2.gz UYLANPPFYXAYCY-LBPRGKRZSA-N 2 2 325.840 1.723 20 10 EDCDLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336900 595712634 /nfs/dbraw/zinc/71/26/34/595712634.db2.gz UYLANPPFYXAYCY-LBPRGKRZSA-N 2 2 325.840 1.723 20 10 EDCDLP CC(C)n1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283552 597699769 /nfs/dbraw/zinc/69/97/69/597699769.db2.gz JMIAOOSXQFTEJL-UHFFFAOYSA-N 2 2 328.464 1.901 20 10 EDCDLP COc1cccc(O)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371824 597726375 /nfs/dbraw/zinc/72/63/75/597726375.db2.gz BBUADZUHQZJXBR-MRXNPFEDSA-N 2 2 349.475 1.287 20 10 EDCDLP CN(Cc1ccccc1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179283941 442612453 /nfs/dbraw/zinc/61/24/53/442612453.db2.gz RGPAXKUKHXGQCK-UHFFFAOYSA-N 2 2 334.464 1.560 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281466922 443919886 /nfs/dbraw/zinc/91/98/86/443919886.db2.gz VQJOPPGLPBLZQB-UHFFFAOYSA-N 2 2 332.492 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281466922 443919890 /nfs/dbraw/zinc/91/98/90/443919890.db2.gz VQJOPPGLPBLZQB-UHFFFAOYSA-N 2 2 332.492 1.787 20 10 EDCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000756555743 579060674 /nfs/dbraw/zinc/06/06/74/579060674.db2.gz LYPJAGNNMGJTDD-WCBMZHEXSA-N 2 2 335.217 1.867 20 10 EDCDLP CCN(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000773747860 580345295 /nfs/dbraw/zinc/34/52/95/580345295.db2.gz KGVKUEIARAEZOW-UHFFFAOYSA-N 2 2 344.503 1.883 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000891248357 591017413 /nfs/dbraw/zinc/01/74/13/591017413.db2.gz LBJYZGZNMXPVQV-QGZVFWFLSA-N 2 2 329.448 1.827 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000891248357 591017417 /nfs/dbraw/zinc/01/74/17/591017417.db2.gz LBJYZGZNMXPVQV-QGZVFWFLSA-N 2 2 329.448 1.827 20 10 EDCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Br)cc(F)c1O ZINC000817984022 593653591 /nfs/dbraw/zinc/65/35/91/593653591.db2.gz UXLOOEQNPNSELO-PSASIEDQSA-N 2 2 333.201 1.933 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3C[C@H]3C)CC2)cc1 ZINC000818956466 593730350 /nfs/dbraw/zinc/73/03/50/593730350.db2.gz LZKIBKYMQACUPY-SOLBZPMBSA-N 2 2 333.476 1.424 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)c3ccnc(C[NH3+])c3)CC2)cc1 ZINC000828353493 594398812 /nfs/dbraw/zinc/39/88/12/594398812.db2.gz QMNPRQVZQBMZKI-UHFFFAOYSA-N 2 2 340.427 1.948 20 10 EDCDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819964 594958214 /nfs/dbraw/zinc/95/82/14/594958214.db2.gz HEIMBOYUANOSBO-QGZVFWFLSA-N 2 2 345.491 1.279 20 10 EDCDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819964 594958216 /nfs/dbraw/zinc/95/82/16/594958216.db2.gz HEIMBOYUANOSBO-QGZVFWFLSA-N 2 2 345.491 1.279 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870879183 596387642 /nfs/dbraw/zinc/38/76/42/596387642.db2.gz XVVNHSLCXRNNTE-TYILLQQXSA-N 2 2 329.444 1.908 20 10 EDCDLP Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372813027 250226214 /nfs/dbraw/zinc/22/62/14/250226214.db2.gz SGBRZCCRCOGWKT-INIZCTEOSA-N 2 2 338.473 1.442 20 10 EDCDLP COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000265837361 442940796 /nfs/dbraw/zinc/94/07/96/442940796.db2.gz FROWXDMUMLAANX-QGZVFWFLSA-N 2 2 347.459 1.026 20 10 EDCDLP OCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000729931040 578603191 /nfs/dbraw/zinc/60/31/91/578603191.db2.gz YSTQHXVPHHRCQG-UHFFFAOYSA-N 2 2 329.238 1.701 20 10 EDCDLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000732924575 578735670 /nfs/dbraw/zinc/73/56/70/578735670.db2.gz YUMTUQGFRALSNX-UHFFFAOYSA-N 2 2 348.491 1.275 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1F ZINC000754180175 579897927 /nfs/dbraw/zinc/89/79/27/579897927.db2.gz RQGBYKPIOADUPA-INIZCTEOSA-N 2 2 337.439 1.413 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000891247109 591016310 /nfs/dbraw/zinc/01/63/10/591016310.db2.gz FCWHVFPRQHOQNX-SFHVURJKSA-N 2 2 343.475 1.838 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c(C4CC4)n3)cc2)CC1 ZINC000895145216 591616938 /nfs/dbraw/zinc/61/69/38/591616938.db2.gz SNOAPJUBNCPVNA-UHFFFAOYSA-N 2 2 339.447 1.695 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNc3nc(N)nc(C4CC4)[nH+]3)cc2)CC1 ZINC000895145216 591616941 /nfs/dbraw/zinc/61/69/41/591616941.db2.gz SNOAPJUBNCPVNA-UHFFFAOYSA-N 2 2 339.447 1.695 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)[NH+](C)C)cc1 ZINC000902516810 592009369 /nfs/dbraw/zinc/00/93/69/592009369.db2.gz GXMQFQKWJGACSL-VYMYIBDJSA-N 3 2 346.519 1.697 20 10 EDCDLP CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)C2(O)CCCC2)[NH+](C)C)cc1 ZINC000905707017 592618285 /nfs/dbraw/zinc/61/82/85/592618285.db2.gz XHQYLFIIODJNTP-ROUUACIJSA-N 2 2 335.492 1.611 20 10 EDCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000808686997 593280900 /nfs/dbraw/zinc/28/09/00/593280900.db2.gz XYXPMLAZENJXPV-LBPRGKRZSA-N 2 2 325.840 1.779 20 10 EDCDLP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000818614712 593708083 /nfs/dbraw/zinc/70/80/83/593708083.db2.gz FDRRDSCKWIBQGA-XPGWFJOJSA-N 2 2 345.487 1.878 20 10 EDCDLP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819287761 593748511 /nfs/dbraw/zinc/74/85/11/593748511.db2.gz YDRAYBRKSYBSPU-SZVBFZGTSA-N 2 2 333.476 1.566 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000819309166 593750043 /nfs/dbraw/zinc/75/00/43/593750043.db2.gz LWBYPAYAMXNYKF-MJGOQNOKSA-N 2 2 347.503 1.956 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CC[C@@H]3C)CC2)cc1 ZINC000819311873 593750199 /nfs/dbraw/zinc/75/01/99/593750199.db2.gz PPOCYWUYMLSBIM-WDYCEAGBSA-N 2 2 333.476 1.566 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108786 596046553 /nfs/dbraw/zinc/04/65/53/596046553.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108786 596046557 /nfs/dbraw/zinc/04/65/57/596046557.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108786 596046561 /nfs/dbraw/zinc/04/65/61/596046561.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108786 596046565 /nfs/dbraw/zinc/04/65/65/596046565.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 2 344.503 1.787 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CC34CCC4)CC2)cc1 ZINC000872250273 596853393 /nfs/dbraw/zinc/85/33/93/596853393.db2.gz HIEMFVQXVVOSBI-IEBWSBKVSA-N 2 2 345.487 1.710 20 10 EDCDLP CCO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000922756095 704316115 /nfs/dbraw/zinc/31/61/15/704316115.db2.gz FKBBNPFWAFTLEN-MRXNPFEDSA-N 2 2 339.455 1.719 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000372416129 250219870 /nfs/dbraw/zinc/21/98/70/250219870.db2.gz MRORPXHOKSAXFU-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000372416129 250219873 /nfs/dbraw/zinc/21/98/73/250219873.db2.gz MRORPXHOKSAXFU-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372416129 250219876 /nfs/dbraw/zinc/21/98/76/250219876.db2.gz MRORPXHOKSAXFU-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP Cc1ccc(O)c(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372416129 250219878 /nfs/dbraw/zinc/21/98/78/250219878.db2.gz MRORPXHOKSAXFU-AEFFLSMTSA-N 2 2 333.476 1.537 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1O ZINC000093821265 533480105 /nfs/dbraw/zinc/48/01/05/533480105.db2.gz WPZWQILTGZTZEN-HNNXBMFYSA-N 2 2 333.432 1.139 20 10 EDCDLP COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1O ZINC000093821265 533480109 /nfs/dbraw/zinc/48/01/09/533480109.db2.gz WPZWQILTGZTZEN-HNNXBMFYSA-N 2 2 333.432 1.139 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601742 443582639 /nfs/dbraw/zinc/58/26/39/443582639.db2.gz SBIHIKNBDDNJPS-LSDHHAIUSA-N 2 2 349.475 1.713 20 10 EDCDLP CCc1[nH+]ccn1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758221638 579977227 /nfs/dbraw/zinc/97/72/27/579977227.db2.gz HJUVVDYVLYQAGQ-KRWDZBQOSA-N 2 2 344.459 1.637 20 10 EDCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008171 580782856 /nfs/dbraw/zinc/78/28/56/580782856.db2.gz CZAJIKPTEKPCJD-AWEZNQCLSA-N 2 2 341.463 1.611 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000891241252 591012848 /nfs/dbraw/zinc/01/28/48/591012848.db2.gz AAERWKWAIRCUFX-MZEUMTGBSA-N 2 2 341.459 1.918 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC[C@H](C)F)CC2)cc1 ZINC000819334150 593750978 /nfs/dbraw/zinc/75/09/78/593750978.db2.gz VTSMQSMBDDFUFQ-RDJZCZTQSA-N 2 2 339.455 1.516 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000828353318 594398649 /nfs/dbraw/zinc/39/86/49/594398649.db2.gz MMIKMSSUUVYQPP-KRWDZBQOSA-N 2 2 333.432 1.159 20 10 EDCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269304 442463951 /nfs/dbraw/zinc/46/39/51/442463951.db2.gz XRSIIDOOPIKOMO-CQSZACIVSA-N 2 2 325.840 1.688 20 10 EDCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269304 442463955 /nfs/dbraw/zinc/46/39/55/442463955.db2.gz XRSIIDOOPIKOMO-CQSZACIVSA-N 2 2 325.840 1.688 20 10 EDCDLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)CC1 ZINC000371382876 446821717 /nfs/dbraw/zinc/82/17/17/446821717.db2.gz LSXADOATOITLIU-INIZCTEOSA-N 2 2 339.867 1.494 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3C[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC000754048477 579894772 /nfs/dbraw/zinc/89/47/72/579894772.db2.gz GDCHFDVNUMHVLI-LMMKCTJWSA-N 2 2 347.503 1.766 20 10 EDCDLP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000754051894 579894941 /nfs/dbraw/zinc/89/49/41/579894941.db2.gz RWJURUAHVNCZLC-PKOBYXMFSA-N 2 2 347.503 1.910 20 10 EDCDLP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000754051894 579894942 /nfs/dbraw/zinc/89/49/42/579894942.db2.gz RWJURUAHVNCZLC-PKOBYXMFSA-N 2 2 347.503 1.910 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000754052177 579894968 /nfs/dbraw/zinc/89/49/68/579894968.db2.gz XMBYASDSPZRZIY-LMMKCTJWSA-N 2 2 347.503 1.908 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000754052177 579894969 /nfs/dbraw/zinc/89/49/69/579894969.db2.gz XMBYASDSPZRZIY-LMMKCTJWSA-N 2 2 347.503 1.908 20 10 EDCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756547992 579952133 /nfs/dbraw/zinc/95/21/33/579952133.db2.gz IMXFLAZYPDXVKL-NEPJUHHUSA-N 2 2 341.402 1.908 20 10 EDCDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756547992 579952134 /nfs/dbraw/zinc/95/21/34/579952134.db2.gz IMXFLAZYPDXVKL-NEPJUHHUSA-N 2 2 341.402 1.908 20 10 EDCDLP CCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)nn1 ZINC000892904853 591222501 /nfs/dbraw/zinc/22/25/01/591222501.db2.gz FFYRFMXJBQLFPU-UHFFFAOYSA-N 2 2 346.454 1.869 20 10 EDCDLP CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[NH+](C)C)cc1 ZINC000905705148 592617770 /nfs/dbraw/zinc/61/77/70/592617770.db2.gz QLTGCVYNLYPEKC-QZTJIDSGSA-N 2 2 331.464 1.203 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911665152 592973569 /nfs/dbraw/zinc/97/35/69/592973569.db2.gz AKGRKTKHZNIIQB-RHSMWYFYSA-N 2 2 327.432 1.328 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000819087585 593738261 /nfs/dbraw/zinc/73/82/61/593738261.db2.gz LUYIBFSRZMROFK-HKUYNNGSSA-N 2 2 345.487 1.876 20 10 EDCDLP COc1ccc([NH+]2CCC(NC(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000841778712 594950726 /nfs/dbraw/zinc/95/07/26/594950726.db2.gz DOCXMJQTIHKTSC-UHFFFAOYSA-N 2 2 332.448 1.715 20 10 EDCDLP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063368 595277957 /nfs/dbraw/zinc/27/79/57/595277957.db2.gz ABDHNHMPXMQJDY-UABKOXTMSA-N 2 2 342.487 1.662 20 10 EDCDLP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000843063368 595277960 /nfs/dbraw/zinc/27/79/60/595277960.db2.gz ABDHNHMPXMQJDY-UABKOXTMSA-N 2 2 342.487 1.662 20 10 EDCDLP COc1cccc(O)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843118391 595291298 /nfs/dbraw/zinc/29/12/98/595291298.db2.gz HYNRFOSBSCSQRE-UHFFFAOYSA-N 2 2 343.431 1.475 20 10 EDCDLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599285 595838356 /nfs/dbraw/zinc/83/83/56/595838356.db2.gz MHNCHTNADZURCA-HOCLYGCPSA-N 2 2 337.439 1.380 20 10 EDCDLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599285 595838358 /nfs/dbraw/zinc/83/83/58/595838358.db2.gz MHNCHTNADZURCA-HOCLYGCPSA-N 2 2 337.439 1.380 20 10 EDCDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000862464644 596333765 /nfs/dbraw/zinc/33/37/65/596333765.db2.gz FDYJVTUHIVZINL-AWEZNQCLSA-N 2 2 325.840 1.783 20 10 EDCDLP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000862464644 596333768 /nfs/dbraw/zinc/33/37/68/596333768.db2.gz FDYJVTUHIVZINL-AWEZNQCLSA-N 2 2 325.840 1.783 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562244 596619958 /nfs/dbraw/zinc/61/99/58/596619958.db2.gz HZGFVJSARDJJCY-KDURUIRLSA-N 2 2 330.476 1.300 20 10 EDCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562244 596619962 /nfs/dbraw/zinc/61/99/62/596619962.db2.gz HZGFVJSARDJJCY-KDURUIRLSA-N 2 2 330.476 1.300 20 10 EDCDLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873149758 597213042 /nfs/dbraw/zinc/21/30/42/597213042.db2.gz WCGALPUVRGVQFE-QGZVFWFLSA-N 2 2 330.432 1.096 20 10 EDCDLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873149758 597213043 /nfs/dbraw/zinc/21/30/43/597213043.db2.gz WCGALPUVRGVQFE-QGZVFWFLSA-N 2 2 330.432 1.096 20 10 EDCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372416151 250219919 /nfs/dbraw/zinc/21/99/19/250219919.db2.gz MSHQCKXDBRRSOK-IBGZPJMESA-N 2 2 332.492 1.201 20 10 EDCDLP CN(C)c1ccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372416151 250219923 /nfs/dbraw/zinc/21/99/23/250219923.db2.gz MSHQCKXDBRRSOK-IBGZPJMESA-N 2 2 332.492 1.201 20 10 EDCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000119920878 441976377 /nfs/dbraw/zinc/97/63/77/441976377.db2.gz KOMRNMJZQBTMLL-QFBILLFUSA-N 2 2 333.476 1.974 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000364604908 445935085 /nfs/dbraw/zinc/93/50/85/445935085.db2.gz KJQRCLBOIJIPOC-NSHDSACASA-N 2 2 332.360 1.858 20 10 EDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000372500340 447091915 /nfs/dbraw/zinc/09/19/15/447091915.db2.gz BRMCEKWVTOVZKV-AWEZNQCLSA-N 2 2 347.459 1.700 20 10 EDCDLP COc1ccc(O)c([C@H](C)[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000372500340 447091921 /nfs/dbraw/zinc/09/19/21/447091921.db2.gz BRMCEKWVTOVZKV-AWEZNQCLSA-N 2 2 347.459 1.700 20 10 EDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000756555737 579952414 /nfs/dbraw/zinc/95/24/14/579952414.db2.gz LYPJAGNNMGJTDD-PSASIEDQSA-N 2 2 335.217 1.867 20 10 EDCDLP CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000891249636 591018961 /nfs/dbraw/zinc/01/89/61/591018961.db2.gz VHARGEIPIZUMTP-QGZVFWFLSA-N 2 2 329.448 1.448 20 10 EDCDLP Cc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1O ZINC000895688752 591249924 /nfs/dbraw/zinc/24/99/24/591249924.db2.gz YHLDMGBOKLBQLZ-GOSISDBHSA-N 2 2 333.476 1.587 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000905416472 592524672 /nfs/dbraw/zinc/52/46/72/592524672.db2.gz BTMOFIGZIDXWCT-HKUYNNGSSA-N 2 2 345.487 1.734 20 10 EDCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911665154 592973473 /nfs/dbraw/zinc/97/34/73/592973473.db2.gz AKGRKTKHZNIIQB-WMLDXEAASA-N 2 2 327.432 1.328 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000819188838 593743453 /nfs/dbraw/zinc/74/34/53/593743453.db2.gz NVWLPNRBQSHQGX-APWZRJJASA-N 2 2 347.503 1.956 20 10 EDCDLP C[NH+](C)CCOc1ccc([N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841011292 594838419 /nfs/dbraw/zinc/83/84/19/594838419.db2.gz HJHCUGAKPPPXKL-MRXNPFEDSA-N 3 2 348.491 1.261 20 10 EDCDLP CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000843118359 595291095 /nfs/dbraw/zinc/29/10/95/595291095.db2.gz GOJLVXJDVCJKGX-UHFFFAOYSA-N 2 2 340.475 1.827 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000844227511 595310358 /nfs/dbraw/zinc/31/03/58/595310358.db2.gz XFXZBGCHVTWIJU-QGZVFWFLSA-N 2 2 348.491 1.307 20 10 EDCDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883160263 597671879 /nfs/dbraw/zinc/67/18/79/597671879.db2.gz KRNPPNPJFBGRBD-LJQANCHMSA-N 3 2 348.535 1.621 20 10 EDCDLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1O ZINC000879647597 597674016 /nfs/dbraw/zinc/67/40/16/597674016.db2.gz FUWIITKXPJLOMX-CQSZACIVSA-N 2 2 335.448 1.270 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492172 250187527 /nfs/dbraw/zinc/18/75/27/250187527.db2.gz LYPCFMHCAAJFEL-OLZOCXBDSA-N 2 2 337.376 1.262 20 10 EDCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492172 250187530 /nfs/dbraw/zinc/18/75/30/250187530.db2.gz LYPCFMHCAAJFEL-OLZOCXBDSA-N 2 2 337.376 1.262 20 10 EDCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601740 443582534 /nfs/dbraw/zinc/58/25/34/443582534.db2.gz SBIHIKNBDDNJPS-HUUCEWRRSA-N 2 2 349.475 1.713 20 10 EDCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000756557946 579060678 /nfs/dbraw/zinc/06/06/78/579060678.db2.gz YOOQABPQHJLUPF-RKDXNWHRSA-N 2 2 335.217 1.867 20 10 EDCDLP Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000800854635 581059852 /nfs/dbraw/zinc/05/98/52/581059852.db2.gz NTNVDYOLXZAOFA-KDOFPFPSSA-N 2 2 348.443 1.362 20 10 EDCDLP Oc1cc2c(cc1C[N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000800854635 581059853 /nfs/dbraw/zinc/05/98/53/581059853.db2.gz NTNVDYOLXZAOFA-KDOFPFPSSA-N 2 2 348.443 1.362 20 10 EDCDLP Cc1nc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n[nH]1 ZINC000895008532 591526307 /nfs/dbraw/zinc/52/63/07/591526307.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 2 340.475 1.854 20 10 EDCDLP Cc1nc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n[nH]1 ZINC000895008532 591526308 /nfs/dbraw/zinc/52/63/08/591526308.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 2 340.475 1.854 20 10 EDCDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891393 593645840 /nfs/dbraw/zinc/64/58/40/593645840.db2.gz BMIFSXARUMLAAT-YOEHRIQHSA-N 2 2 337.489 1.009 20 10 EDCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3CC3(C)C)CC2)cc1 ZINC000819060087 593736493 /nfs/dbraw/zinc/73/64/93/593736493.db2.gz MYVXFWJTCNMDPP-SJLPKXTDSA-N 2 2 347.503 1.814 20 10 EDCDLP Oc1c(Br)cccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030800 594841500 /nfs/dbraw/zinc/84/15/00/594841500.db2.gz VZKCROUJDQZJEK-UHFFFAOYSA-N 2 2 328.254 1.540 20 10 EDCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C)([NH3+])CC3)CC2)cc1 ZINC000844222423 595307009 /nfs/dbraw/zinc/30/70/09/595307009.db2.gz DPGXWAARKSOXIZ-UHFFFAOYSA-N 2 2 346.475 1.157 20 10 EDCDLP C[NH+]1CCN(c2ccc(CNC(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000883068507 597638288 /nfs/dbraw/zinc/63/82/88/597638288.db2.gz XODUMXLHDCNVTF-UHFFFAOYSA-N 2 2 342.447 1.134 20 10 EDCDLP C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1cc[nH+]c1 ZINC000881853064 597755149 /nfs/dbraw/zinc/75/51/49/597755149.db2.gz ILCBEHCKGJYDSR-MRXNPFEDSA-N 2 2 341.459 1.902 20 10 EDCDLP Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000177355598 442331266 /nfs/dbraw/zinc/33/12/66/442331266.db2.gz KNMNSQRSTOWMGU-QGZVFWFLSA-N 2 2 347.459 1.032 20 10 EDCDLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140540 /nfs/dbraw/zinc/14/05/40/444140540.db2.gz XFNZADVUHBPGCT-ROUUACIJSA-N 2 2 334.460 1.828 20 10 EDCDLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140546 /nfs/dbraw/zinc/14/05/46/444140546.db2.gz XFNZADVUHBPGCT-ROUUACIJSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140549 /nfs/dbraw/zinc/14/05/49/444140549.db2.gz XFNZADVUHBPGCT-ROUUACIJSA-N 2 2 334.460 1.828 20 10 EDCDLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140552 /nfs/dbraw/zinc/14/05/52/444140552.db2.gz XFNZADVUHBPGCT-ROUUACIJSA-N 2 2 334.460 1.828 20 10 EDCDLP CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH+]cn2C)[NH+](C)C)cc1 ZINC000891249633 591018071 /nfs/dbraw/zinc/01/80/71/591018071.db2.gz VHARGEIPIZUMTP-KRWDZBQOSA-N 2 2 329.448 1.448 20 10 EDCDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000817656098 593620340 /nfs/dbraw/zinc/62/03/40/593620340.db2.gz AAJNMPOVRGZYLL-UHFFFAOYSA-N 2 2 347.459 1.730 20 10 EDCDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000817656098 593620342 /nfs/dbraw/zinc/62/03/42/593620342.db2.gz AAJNMPOVRGZYLL-UHFFFAOYSA-N 2 2 347.459 1.730 20 10 EDCDLP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817945088 593651187 /nfs/dbraw/zinc/65/11/87/593651187.db2.gz UAOUMHWAFIOSBB-SNVBAGLBSA-N 2 2 346.244 1.850 20 10 EDCDLP