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)Cn1c[nH+]cc1CN1CCCN(C(=O)C(F)(F)F)CC1 ZINC001506408934 1114598658 /nfs/dbraw/zinc/59/86/58/1114598658.db2.gz YRONQQUMJBHZKD-UHFFFAOYSA-N 1 2 332.370 2.136 50 0 EEAALO Nc1ncccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC001529186478 1121360689 /nfs/dbraw/zinc/36/06/89/1121360689.db2.gz GCNNIXRPMZISHW-UHFFFAOYSA-N 1 2 345.834 2.060 50 0 EEAALO Nc1ncccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC001529186478 1121360699 /nfs/dbraw/zinc/36/06/99/1121360699.db2.gz GCNNIXRPMZISHW-UHFFFAOYSA-N 1 2 345.834 2.060 50 0 EEAALO Cn1c(CCNC(=O)c2ccc(Cl)nc2)[nH+]c2cc(N)ccc21 ZINC000013727972 201912416 /nfs/dbraw/zinc/91/24/16/201912416.db2.gz SHFVCRBQNAJARV-UHFFFAOYSA-N 1 2 329.791 2.176 50 0 EEAALO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCOCC2)C(=O)CCC1 ZINC000020233947 202036617 /nfs/dbraw/zinc/03/66/17/202036617.db2.gz VFVJOOARWPANAA-OAHLLOKOSA-N 1 2 342.439 2.162 50 0 EEAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1nccs1 ZINC000020437866 202041393 /nfs/dbraw/zinc/04/13/93/202041393.db2.gz BQODKKWNMVNAME-UHFFFAOYSA-N 1 2 334.420 2.039 50 0 EEAALO CCN1C(=O)C(=O)N(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000023385081 202103879 /nfs/dbraw/zinc/10/38/79/202103879.db2.gz BJWFGGZESOSUGY-UHFFFAOYSA-N 1 2 344.198 2.193 50 0 EEAALO CCN1C(=O)C(=O)N(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000023385081 202103882 /nfs/dbraw/zinc/10/38/82/202103882.db2.gz BJWFGGZESOSUGY-UHFFFAOYSA-N 1 2 344.198 2.193 50 0 EEAALO COC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000025011245 202124760 /nfs/dbraw/zinc/12/47/60/202124760.db2.gz JVLMWHYUKWNJTG-UHFFFAOYSA-N 1 2 328.353 2.368 50 0 EEAALO C[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1N1CCOCC1 ZINC000029432112 202187184 /nfs/dbraw/zinc/18/71/84/202187184.db2.gz QIQJQMYWRVHJQC-UHFFFAOYSA-N 1 2 328.416 2.416 50 0 EEAALO C[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1N1CCOCC1 ZINC000029432112 202187188 /nfs/dbraw/zinc/18/71/88/202187188.db2.gz QIQJQMYWRVHJQC-UHFFFAOYSA-N 1 2 328.416 2.416 50 0 EEAALO CCOc1cc(C)c(C)cc1S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000032602280 202228918 /nfs/dbraw/zinc/22/89/18/202228918.db2.gz BWCONCVFWISGOP-UHFFFAOYSA-N 1 2 326.462 2.028 50 0 EEAALO COCCCNC(=O)[C@H]1CCCN(c2[nH]c3ccc(C)cc3[nH+]2)C1 ZINC000033072078 202249198 /nfs/dbraw/zinc/24/91/98/202249198.db2.gz OSSFYEUAKFPUSB-AWEZNQCLSA-N 1 2 330.432 2.240 50 0 EEAALO COCCCNC(=O)[C@H]1CCCN(c2[nH]c3cc(C)ccc3[nH+]2)C1 ZINC000033072078 202249201 /nfs/dbraw/zinc/24/92/01/202249201.db2.gz OSSFYEUAKFPUSB-AWEZNQCLSA-N 1 2 330.432 2.240 50 0 EEAALO CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000032970949 202245549 /nfs/dbraw/zinc/24/55/49/202245549.db2.gz UANRFOPFSCUTLX-GUYCJALGSA-N 1 2 328.416 2.210 50 0 EEAALO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2O)cc1C ZINC000426690037 241328501 /nfs/dbraw/zinc/32/85/01/241328501.db2.gz ZVNDZLATPAUBMG-IAGOWNOFSA-N 1 2 345.468 2.125 50 0 EEAALO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2O)cc1C ZINC000426690037 241328507 /nfs/dbraw/zinc/32/85/07/241328507.db2.gz ZVNDZLATPAUBMG-IAGOWNOFSA-N 1 2 345.468 2.125 50 0 EEAALO O=C(NCC[NH+]1CCOCC1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000426491390 241297546 /nfs/dbraw/zinc/29/75/46/241297546.db2.gz HPDDJTYNUCBGOJ-CQSZACIVSA-N 1 2 337.851 2.171 50 0 EEAALO CCc1noc(CCNC(=O)c2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000426552390 241308557 /nfs/dbraw/zinc/30/85/57/241308557.db2.gz VRYGCUTZIIJYNF-UHFFFAOYSA-N 1 2 325.372 2.005 50 0 EEAALO CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000072129410 203166026 /nfs/dbraw/zinc/16/60/26/203166026.db2.gz GTUGXQOLAKQBLY-UHFFFAOYSA-N 1 2 344.484 2.064 50 0 EEAALO CNC(=O)c1noc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC000072133798 203166734 /nfs/dbraw/zinc/16/67/34/203166734.db2.gz LQESPXMBHNGCIH-HNNXBMFYSA-N 1 2 328.416 2.274 50 0 EEAALO CNC(=O)c1noc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC000072133798 203166738 /nfs/dbraw/zinc/16/67/38/203166738.db2.gz LQESPXMBHNGCIH-HNNXBMFYSA-N 1 2 328.416 2.274 50 0 EEAALO NC(=O)c1nc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 ZINC000072169686 203181631 /nfs/dbraw/zinc/18/16/31/203181631.db2.gz OYVUZQYOUWXXEQ-ZDUSSCGKSA-N 1 2 332.379 2.152 50 0 EEAALO NC(=O)c1nc(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 ZINC000072169686 203181634 /nfs/dbraw/zinc/18/16/34/203181634.db2.gz OYVUZQYOUWXXEQ-ZDUSSCGKSA-N 1 2 332.379 2.152 50 0 EEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000072475091 203230427 /nfs/dbraw/zinc/23/04/27/203230427.db2.gz QMSXSLQHTPHRNE-INIZCTEOSA-N 1 2 345.491 2.307 50 0 EEAALO CCOC(=O)c1coc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000077408299 203387374 /nfs/dbraw/zinc/38/73/74/203387374.db2.gz QDSOUFNHVXRRTM-UHFFFAOYSA-N 1 2 333.363 2.313 50 0 EEAALO Cc1ncc(C[NH+]2CCN(C(=O)NCc3c(C)noc3C)CC2)s1 ZINC000111841065 204375984 /nfs/dbraw/zinc/37/59/84/204375984.db2.gz KQTSVTDBOYVMIB-UHFFFAOYSA-N 1 2 349.460 2.084 50 0 EEAALO Cc1ncc(C[NH+]2CCN(C(=O)NCc3cccc(O)c3)CC2)s1 ZINC000111835388 204376094 /nfs/dbraw/zinc/37/60/94/204376094.db2.gz LQOHKVVDRRHAAP-UHFFFAOYSA-N 1 2 346.456 2.185 50 0 EEAALO Cc1ccc(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1 ZINC000012874045 207254480 /nfs/dbraw/zinc/25/44/80/207254480.db2.gz MEEZFGFYZSJKMB-INIZCTEOSA-N 1 2 340.489 2.020 50 0 EEAALO O=c1[nH]c(=S)n(Cc2cccnc2)c2c1C[N@@H+](C1CCCC1)CN2 ZINC000020479392 285195065 /nfs/dbraw/zinc/19/50/65/285195065.db2.gz MYETUXORBWEPAY-UHFFFAOYSA-N 1 2 343.456 2.477 50 0 EEAALO O=c1[nH]c(=S)n(Cc2cccnc2)c2c1C[N@H+](C1CCCC1)CN2 ZINC000020479392 285195070 /nfs/dbraw/zinc/19/50/70/285195070.db2.gz MYETUXORBWEPAY-UHFFFAOYSA-N 1 2 343.456 2.477 50 0 EEAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cn[nH]n1 ZINC000299781876 258090694 /nfs/dbraw/zinc/09/06/94/258090694.db2.gz SAWZRAMEOMCKSC-HNNXBMFYSA-N 1 2 333.823 2.415 50 0 EEAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cnn[nH]1 ZINC000299781876 258090695 /nfs/dbraw/zinc/09/06/95/258090695.db2.gz SAWZRAMEOMCKSC-HNNXBMFYSA-N 1 2 333.823 2.415 50 0 EEAALO Cc1nn(C(C)C)c(C)c1CNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000299790644 258096403 /nfs/dbraw/zinc/09/64/03/258096403.db2.gz CDFVHHKNCDSGOS-UHFFFAOYSA-N 1 2 329.448 2.224 50 0 EEAALO Cc1nn(C(C)C)c(C)c1CNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000299790644 258096404 /nfs/dbraw/zinc/09/64/04/258096404.db2.gz CDFVHHKNCDSGOS-UHFFFAOYSA-N 1 2 329.448 2.224 50 0 EEAALO CC[C@H](C(=O)N1CC[NH+](CCn2ccnc2)CC1)c1ccccc1 ZINC000075158015 462689032 /nfs/dbraw/zinc/68/90/32/462689032.db2.gz FUOGWJFUZQLRFG-SFHVURJKSA-N 1 2 326.444 2.221 50 0 EEAALO CC[C@H](C(=O)N1CCN(CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000075158015 462689037 /nfs/dbraw/zinc/68/90/37/462689037.db2.gz FUOGWJFUZQLRFG-SFHVURJKSA-N 1 2 326.444 2.221 50 0 EEAALO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)C(N)=O ZINC000007318674 462729564 /nfs/dbraw/zinc/72/95/64/462729564.db2.gz NTACKUNAAPVGQH-ZDUSSCGKSA-N 1 2 345.472 2.219 50 0 EEAALO Cc1cccc([C@@H](C(=O)NCc2[nH]cc(C)c(=O)c2C)[NH+](C)C)c1 ZINC000065422259 462768082 /nfs/dbraw/zinc/76/80/82/462768082.db2.gz XPUGTPKNEVNKKE-KRWDZBQOSA-N 1 2 327.428 2.219 50 0 EEAALO CCCn1ccnc1C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065420442 462769029 /nfs/dbraw/zinc/76/90/29/462769029.db2.gz KNZZQXPPCFPMNI-JKSUJKDBSA-N 1 2 343.427 2.372 50 0 EEAALO CCCn1ccnc1C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065420442 462769030 /nfs/dbraw/zinc/76/90/30/462769030.db2.gz KNZZQXPPCFPMNI-JKSUJKDBSA-N 1 2 343.427 2.372 50 0 EEAALO Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065467938 462775352 /nfs/dbraw/zinc/77/53/52/462775352.db2.gz OQSKXAVEKGMXQH-INIZCTEOSA-N 1 2 343.431 2.301 50 0 EEAALO Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065467938 462775358 /nfs/dbraw/zinc/77/53/58/462775358.db2.gz OQSKXAVEKGMXQH-INIZCTEOSA-N 1 2 343.431 2.301 50 0 EEAALO CCCN(Cc1[nH+]ccn1C)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000065506279 462783445 /nfs/dbraw/zinc/78/34/45/462783445.db2.gz LMROKTRXZGRFHX-OAHLLOKOSA-N 1 2 326.400 2.034 50 0 EEAALO CN(c1[nH+]cccc1CNC(=O)CCn1cncn1)C1CCCCC1 ZINC000012297976 462847963 /nfs/dbraw/zinc/84/79/63/462847963.db2.gz IRFRDILHUQTFMG-UHFFFAOYSA-N 1 2 342.447 2.149 50 0 EEAALO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000012533881 462854349 /nfs/dbraw/zinc/85/43/49/462854349.db2.gz TUZIKVAGGSJXKT-IXDOHACOSA-N 1 2 345.487 2.407 50 0 EEAALO Cc1nn(C)c2ncc(CNc3ccc(N4CCOCC4)c[nH+]3)cc12 ZINC000048353671 462899513 /nfs/dbraw/zinc/89/95/13/462899513.db2.gz KSEWTFQZNGADSI-UHFFFAOYSA-N 1 2 338.415 2.120 50 0 EEAALO Cc1cc(NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)cc[nH+]1 ZINC000119570483 462913248 /nfs/dbraw/zinc/91/32/48/462913248.db2.gz ODOJKINHGAFNJJ-UHFFFAOYSA-N 1 2 338.367 2.150 50 0 EEAALO CSCC(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091908508 462914044 /nfs/dbraw/zinc/91/40/44/462914044.db2.gz BRFUDOUCSHPXED-UHFFFAOYSA-N 1 2 336.486 2.457 50 0 EEAALO C[NH+](C)Cc1cn(C2CCN(C(=O)C3CCCCCC3)CC2)nn1 ZINC000048488478 462914693 /nfs/dbraw/zinc/91/46/93/462914693.db2.gz BIGREGYJHCTEMM-UHFFFAOYSA-N 1 2 333.480 2.474 50 0 EEAALO Cc1nn(C)c(Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014205139 462918099 /nfs/dbraw/zinc/91/80/99/462918099.db2.gz WIIKCMBEDLBEJL-UHFFFAOYSA-N 1 2 332.835 2.340 50 0 EEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000067947536 463071742 /nfs/dbraw/zinc/07/17/42/463071742.db2.gz DYDZASSGMMWPST-UHFFFAOYSA-N 1 2 328.416 2.459 50 0 EEAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC000095506121 463097479 /nfs/dbraw/zinc/09/74/79/463097479.db2.gz HFEJLHRURRULOJ-MRXNPFEDSA-N 1 2 346.475 2.402 50 0 EEAALO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)C[N@@H+]1CC=C(C)C ZINC000095517135 463100590 /nfs/dbraw/zinc/10/05/90/463100590.db2.gz BZERXLMYRBSFAJ-SJORKVTESA-N 1 2 347.459 2.287 50 0 EEAALO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)C[N@H+]1CC=C(C)C ZINC000095517135 463100592 /nfs/dbraw/zinc/10/05/92/463100592.db2.gz BZERXLMYRBSFAJ-SJORKVTESA-N 1 2 347.459 2.287 50 0 EEAALO Cc1nnc(SCC(=O)NCc2c[nH+]c3c(C)cccn23)s1 ZINC000055182877 463293370 /nfs/dbraw/zinc/29/33/70/463293370.db2.gz CXSDSZNYFFIAGB-UHFFFAOYSA-N 1 2 333.442 2.211 50 0 EEAALO Cc1cc2ccccc2n1CCC(=O)N(CCO)Cc1[nH+]ccn1C ZINC000055269990 463302728 /nfs/dbraw/zinc/30/27/28/463302728.db2.gz SWTREKXDEKCCQQ-UHFFFAOYSA-N 1 2 340.427 2.094 50 0 EEAALO Fc1ccc(CN2CCCO[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000097604192 463359642 /nfs/dbraw/zinc/35/96/42/463359642.db2.gz ZZKQEWWRTQMCKL-INIZCTEOSA-N 1 2 342.842 2.402 50 0 EEAALO Cc1cc(C)n([C@@H](C)CNC(=O)CCc2cn3ccccc3[nH+]2)n1 ZINC000097568940 463359752 /nfs/dbraw/zinc/35/97/52/463359752.db2.gz HMFFUMBSBXIWHE-HNNXBMFYSA-N 1 2 325.416 2.458 50 0 EEAALO COc1cc(OC)c(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c(C(=O)[O-])c1 ZINC000097514321 463360030 /nfs/dbraw/zinc/36/00/30/463360030.db2.gz MCJRHQNVIBKWLU-OLZOCXBDSA-N 1 2 334.416 2.071 50 0 EEAALO COc1cc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c(C(=O)[O-])c1 ZINC000097514321 463360032 /nfs/dbraw/zinc/36/00/32/463360032.db2.gz MCJRHQNVIBKWLU-OLZOCXBDSA-N 1 2 334.416 2.071 50 0 EEAALO COc1cc(OC)c(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c(C(=O)[O-])c1 ZINC000097514321 463360038 /nfs/dbraw/zinc/36/00/38/463360038.db2.gz MCJRHQNVIBKWLU-OLZOCXBDSA-N 1 2 334.416 2.071 50 0 EEAALO COc1cc(OC)c(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c(C(=O)[O-])c1 ZINC000097514321 463360044 /nfs/dbraw/zinc/36/00/44/463360044.db2.gz MCJRHQNVIBKWLU-OLZOCXBDSA-N 1 2 334.416 2.071 50 0 EEAALO Cn1ncc2c1nc[nH+]c2NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000171987265 463962440 /nfs/dbraw/zinc/96/24/40/463962440.db2.gz JMXKBUXQZXTTQR-AWEZNQCLSA-N 1 2 337.305 2.225 50 0 EEAALO O=S(=O)(Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534643004 468268932 /nfs/dbraw/zinc/26/89/32/468268932.db2.gz XZGVTMDLEMNPMN-SFHVURJKSA-N 1 2 345.468 2.166 50 0 EEAALO O=S(=O)(Cc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534643004 468268933 /nfs/dbraw/zinc/26/89/33/468268933.db2.gz XZGVTMDLEMNPMN-SFHVURJKSA-N 1 2 345.468 2.166 50 0 EEAALO COc1ccnc(C[N@@H+]2CCCN(C(=O)Cc3cccs3)CC2)c1 ZINC000980632461 775023591 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327.428 2.475 50 0 EEAALO Cc1nc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)s1 ZINC000123952168 463381098 /nfs/dbraw/zinc/38/10/98/463381098.db2.gz KJRPBDHAFOZUOS-OAHLLOKOSA-N 1 2 337.489 2.016 50 0 EEAALO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)C1 ZINC000108464730 463605205 /nfs/dbraw/zinc/60/52/05/463605205.db2.gz ZYKBLFFMNZNFPL-ZYHUDNBSSA-N 1 2 338.276 2.015 50 0 EEAALO C[N@H+]1CCO[C@@H](C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)C1 ZINC000108464730 463605208 /nfs/dbraw/zinc/60/52/08/463605208.db2.gz ZYKBLFFMNZNFPL-ZYHUDNBSSA-N 1 2 338.276 2.015 50 0 EEAALO CC(C)[C@H](NC(=O)CCC(=O)N1CCCCCC1)c1[nH+]ccn1C ZINC000244724067 464462095 /nfs/dbraw/zinc/46/20/95/464462095.db2.gz MMYDNOROBGVQPG-KRWDZBQOSA-N 1 2 334.464 2.416 50 0 EEAALO O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000244852656 464463632 /nfs/dbraw/zinc/46/36/32/464463632.db2.gz UWLAYAAVMOOIGW-HDJSIYSDSA-N 1 2 340.387 2.030 50 0 EEAALO O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000244866576 464465651 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/nfs/dbraw/zinc/38/46/12/201384612.db2.gz BYGOQVHRCZKTJA-UHFFFAOYSA-N 1 2 334.427 2.287 50 0 EEAALO CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000097212230 201384614 /nfs/dbraw/zinc/38/46/14/201384614.db2.gz BYGOQVHRCZKTJA-UHFFFAOYSA-N 1 2 334.427 2.287 50 0 EEAALO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2ccsc21 ZINC000021822281 212254324 /nfs/dbraw/zinc/25/43/24/212254324.db2.gz UCHRMLXYNSHADX-UHFFFAOYSA-N 1 2 340.452 2.302 50 0 EEAALO Cc1nn(C)c2nc[nH+]c(NCc3nncn3C3CCCCC3)c12 ZINC000072439211 203224846 /nfs/dbraw/zinc/22/48/46/203224846.db2.gz RRFRCWSWWDZNNE-UHFFFAOYSA-N 1 2 326.408 2.381 50 0 EEAALO c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)no2)cc1 ZINC000077439243 203388807 /nfs/dbraw/zinc/38/88/07/203388807.db2.gz JCXHULYWQPIKSK-KRWDZBQOSA-N 1 2 342.443 2.423 50 0 EEAALO c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)no2)cc1 ZINC000077439243 203388810 /nfs/dbraw/zinc/38/88/10/203388810.db2.gz JCXHULYWQPIKSK-KRWDZBQOSA-N 1 2 342.443 2.423 50 0 EEAALO CC[C@@H](C(=O)NCc1ccc2c(c1)CC(C)(C)O2)[NH+]1CCOCC1 ZINC000299786849 258093783 /nfs/dbraw/zinc/09/37/83/258093783.db2.gz UJCLJNOZJISTBT-INIZCTEOSA-N 1 2 332.444 2.127 50 0 EEAALO O=C(NCc1cc2n(n1)CCN(c1cc[nH+]cc1F)C2)C1CCCC1 ZINC000299802181 258104774 /nfs/dbraw/zinc/10/47/74/258104774.db2.gz XVDMPZQWMKQVOX-UHFFFAOYSA-N 1 2 343.406 2.244 50 0 EEAALO CCSc1ncc(C[N@@H+]2CCCO[C@H](Cn3cccn3)C2)cn1 ZINC000215977993 258072221 /nfs/dbraw/zinc/07/22/21/258072221.db2.gz KNXLSIOXVBBLEC-HNNXBMFYSA-N 1 2 333.461 2.076 50 0 EEAALO CCSc1ncc(C[N@H+]2CCCO[C@H](Cn3cccn3)C2)cn1 ZINC000215977993 258072222 /nfs/dbraw/zinc/07/22/22/258072222.db2.gz KNXLSIOXVBBLEC-HNNXBMFYSA-N 1 2 333.461 2.076 50 0 EEAALO Cc1n[nH]c(CCC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1C ZINC000299763427 258080136 /nfs/dbraw/zinc/08/01/36/258080136.db2.gz WHUIDMHOQXPUOS-UHFFFAOYSA-N 1 2 328.416 2.424 50 0 EEAALO O=C(c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1)N1CCOCC1 ZINC000534670168 468272251 /nfs/dbraw/zinc/27/22/51/468272251.db2.gz HZOCIQYPQPUCAH-UHFFFAOYSA-N 1 2 348.406 2.466 50 0 EEAALO O=C(c1ccc2nsnc2c1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017569 462606971 /nfs/dbraw/zinc/60/69/71/462606971.db2.gz XKBGOLGKCPSCGR-UHFFFAOYSA-N 1 2 327.413 2.440 50 0 EEAALO C[NH+](C)[C@H](C(=O)NCCc1cnc2ccccn12)c1cccc(F)c1 ZINC000065385038 462761540 /nfs/dbraw/zinc/76/15/40/462761540.db2.gz RUSRXJNHIPZFJV-SFHVURJKSA-N 1 2 340.402 2.435 50 0 EEAALO CC[N@@H+](CC(=O)Nc1cc(C)on1)C[C@@H]1COc2ccccc2O1 ZINC000009500875 462803989 /nfs/dbraw/zinc/80/39/89/462803989.db2.gz RGFZXVGDDOKSRI-CYBMUJFWSA-N 1 2 331.372 2.083 50 0 EEAALO CC[N@H+](CC(=O)Nc1cc(C)on1)C[C@@H]1COc2ccccc2O1 ZINC000009500875 462803992 /nfs/dbraw/zinc/80/39/92/462803992.db2.gz RGFZXVGDDOKSRI-CYBMUJFWSA-N 1 2 331.372 2.083 50 0 EEAALO COc1ccccc1NC(=O)CCSc1[nH+]cnc2c1cnn2C ZINC000011685879 462836926 /nfs/dbraw/zinc/83/69/26/462836926.db2.gz KTXZCYNRGVQKIG-UHFFFAOYSA-N 1 2 343.412 2.493 50 0 EEAALO O=C(CN1CCCC1=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000011838342 462839574 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335.448 2.284 50 0 EEAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067849973 215230622 /nfs/dbraw/zinc/23/06/22/215230622.db2.gz NBPRWPAKRITGCH-CYBMUJFWSA-N 1 2 345.472 2.482 50 0 EEAALO CO[C@@H]1CC[N@H+](Cc2nc(C(=O)N3Cc4ccccc4C3)co2)C1 ZINC000685942423 539990493 /nfs/dbraw/zinc/99/04/93/539990493.db2.gz PWKHNRRAVGWUSX-OAHLLOKOSA-N 1 2 327.384 2.051 50 0 EEAALO CO[C@@H]1CC[N@@H+](Cc2nc(C(=O)N3Cc4ccccc4C3)co2)C1 ZINC000685942423 539990498 /nfs/dbraw/zinc/99/04/98/539990498.db2.gz PWKHNRRAVGWUSX-OAHLLOKOSA-N 1 2 327.384 2.051 50 0 EEAALO CCCCC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530634 213214115 /nfs/dbraw/zinc/21/41/15/213214115.db2.gz HRJDLNNGDBKGKH-UHFFFAOYSA-N 1 2 331.464 2.306 50 0 EEAALO CCCCC(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530634 213214119 /nfs/dbraw/zinc/21/41/19/213214119.db2.gz HRJDLNNGDBKGKH-UHFFFAOYSA-N 1 2 331.464 2.306 50 0 EEAALO CCCOc1c(C(N)=O)cn(C)c1-c1[nH+]c2cc(N)ccc2n1C ZINC000036369964 213091889 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ZINC000055058929 132193335 /nfs/dbraw/zinc/19/33/35/132193335.db2.gz LFIRTDLLXFAYBL-UHFFFAOYSA-N 1 2 339.439 2.134 50 0 EEAALO O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(Br)cc1 ZINC000000181988 462545889 /nfs/dbraw/zinc/54/58/89/462545889.db2.gz XTNMZNAHDKIXSL-CYBMUJFWSA-N 1 2 349.184 2.464 50 0 EEAALO O=C(Nc1cnc(-n2cc[nH+]c2)nc1)c1ccc(Br)o1 ZINC000085555509 462552414 /nfs/dbraw/zinc/55/24/14/462552414.db2.gz IKUFYEZJTXQPBR-UHFFFAOYSA-N 1 2 334.133 2.270 50 0 EEAALO Cc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000005027553 462644220 /nfs/dbraw/zinc/64/42/20/462644220.db2.gz QRPFXNLCBJDSCR-UHFFFAOYSA-N 1 2 325.412 2.426 50 0 EEAALO CN(C)c1nc(N)nc(C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000012816521 462870953 /nfs/dbraw/zinc/87/09/53/462870953.db2.gz ZOBFMWCIXAPZIP-UHFFFAOYSA-N 1 2 334.427 2.399 50 0 EEAALO Cc1csc(=O)n1CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000014122704 462912262 /nfs/dbraw/zinc/91/22/62/462912262.db2.gz FCBPATYVQSQYFU-UHFFFAOYSA-N 1 2 339.848 2.442 50 0 EEAALO Cc1csc(=O)n1CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000014122704 462912268 /nfs/dbraw/zinc/91/22/68/462912268.db2.gz FCBPATYVQSQYFU-UHFFFAOYSA-N 1 2 339.848 2.442 50 0 EEAALO CNc1snc(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016969430 462992151 /nfs/dbraw/zinc/99/21/51/462992151.db2.gz RHIBXBMLYVFAPE-UHFFFAOYSA-N 1 2 330.457 2.451 50 0 EEAALO COc1cc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc(OC)c1O ZINC000019446461 463017789 /nfs/dbraw/zinc/01/77/89/463017789.db2.gz VIRKIRHRRORJPU-UHFFFAOYSA-N 1 2 336.432 2.100 50 0 EEAALO CCCC[N@H+](C)CCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3 ZINC000020644382 463029635 /nfs/dbraw/zinc/02/96/35/463029635.db2.gz GNBPUNDBQVPYIS-UHFFFAOYSA-N 1 2 335.429 2.146 50 0 EEAALO CCCC[N@@H+](C)CCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3 ZINC000020644382 463029640 /nfs/dbraw/zinc/02/96/40/463029640.db2.gz GNBPUNDBQVPYIS-UHFFFAOYSA-N 1 2 335.429 2.146 50 0 EEAALO Cc1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2nc3ccccc3[nH]2)[nH]n1 ZINC000067641090 463031329 /nfs/dbraw/zinc/03/13/29/463031329.db2.gz 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/nfs/dbraw/zinc/33/44/97/463334497.db2.gz UANQOODZFUAFSF-UHFFFAOYSA-N 1 2 325.368 2.341 50 0 EEAALO Cc1nc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)cc[nH+]1 ZINC000071422420 463415974 /nfs/dbraw/zinc/41/59/74/463415974.db2.gz LTBARTLIFHQJBK-CQSZACIVSA-N 1 2 336.399 2.043 50 0 EEAALO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000082121865 463517278 /nfs/dbraw/zinc/51/72/78/463517278.db2.gz GSRGQCCBPJETOR-HNNXBMFYSA-N 1 2 333.457 2.203 50 0 EEAALO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000082121865 463517282 /nfs/dbraw/zinc/51/72/82/463517282.db2.gz GSRGQCCBPJETOR-HNNXBMFYSA-N 1 2 333.457 2.203 50 0 EEAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000106859461 463542487 /nfs/dbraw/zinc/54/24/87/463542487.db2.gz QFQIABQIJAXOQZ-ZBFHGGJFSA-N 1 2 348.443 2.088 50 0 EEAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000106859461 463542493 /nfs/dbraw/zinc/54/24/93/463542493.db2.gz QFQIABQIJAXOQZ-ZBFHGGJFSA-N 1 2 348.443 2.088 50 0 EEAALO Cc1ccc(C)c([C@@H]2C[N@H+](CCCNS(C)(=O)=O)[C@@H](C)CO2)c1 ZINC000107507266 463572651 /nfs/dbraw/zinc/57/26/51/463572651.db2.gz LLVHXZKCEVBSOU-RDJZCZTQSA-N 1 2 340.489 2.005 50 0 EEAALO Cc1ccc(C)c([C@@H]2C[N@@H+](CCCNS(C)(=O)=O)[C@@H](C)CO2)c1 ZINC000107507266 463572658 /nfs/dbraw/zinc/57/26/58/463572658.db2.gz LLVHXZKCEVBSOU-RDJZCZTQSA-N 1 2 340.489 2.005 50 0 EEAALO COc1cc2c(cc1C[NH+]1CCC(c3nc[nH]n3)CC1)OCCCO2 ZINC000215684588 464106937 /nfs/dbraw/zinc/10/69/37/464106937.db2.gz AQNZUJIBPAMIJR-UHFFFAOYSA-N 1 2 344.415 2.354 50 0 EEAALO CC(C)[C@H](NC(=O)CC1=CSC2=[NH+]CCCN12)c1nccn1C ZINC000223637174 464145102 /nfs/dbraw/zinc/14/51/02/464145102.db2.gz ACSXTTSQELXTKU-AWEZNQCLSA-N 1 2 333.461 2.273 50 0 EEAALO Cc1nc(NCC2CCN(C(=O)C(C)C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426541188 467142972 /nfs/dbraw/zinc/14/29/72/467142972.db2.gz BHAXSHVEABUICH-INIZCTEOSA-N 1 2 346.475 2.595 50 0 EEAALO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000639890463 470709628 /nfs/dbraw/zinc/70/96/28/470709628.db2.gz CNQLIOVBRJSVCJ-UHFFFAOYSA-N 1 2 337.330 2.100 50 0 EEAALO CC(C)c1nccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)n1 ZINC000215786519 534904669 /nfs/dbraw/zinc/90/46/69/534904669.db2.gz OWDKVUKRKNFCIH-INIZCTEOSA-N 1 2 339.443 2.276 50 0 EEAALO CC(C)c1nccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)n1 ZINC000215786519 534904675 /nfs/dbraw/zinc/90/46/75/534904675.db2.gz OWDKVUKRKNFCIH-INIZCTEOSA-N 1 2 339.443 2.276 50 0 EEAALO O=C(c1ccnc(N2CCC[C@H](Cn3cc[nH+]c3)C2)c1)N1CCCC1 ZINC001529120789 1121326334 /nfs/dbraw/zinc/32/63/34/1121326334.db2.gz KFIJWMKGTDZIQT-MRXNPFEDSA-N 1 2 339.443 2.431 50 0 EEAALO CCn1cc[nH+]c1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000055099509 214272474 /nfs/dbraw/zinc/27/24/74/214272474.db2.gz RGHJVAQCOPSFKY-UHFFFAOYSA-N 1 2 347.440 2.473 50 0 EEAALO CC[N@H+](Cc1nc(COC)no1)Cc1cccc(Cn2cccn2)c1 ZINC000055182761 214284591 /nfs/dbraw/zinc/28/45/91/214284591.db2.gz LYICYKZOQQZIKI-UHFFFAOYSA-N 1 2 341.415 2.483 50 0 EEAALO 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ZINC000021331272 212220224 /nfs/dbraw/zinc/22/02/24/212220224.db2.gz FFOUDNXTCPGVSY-CQSZACIVSA-N 1 2 342.399 2.272 50 0 EEAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000020610341 212155506 /nfs/dbraw/zinc/15/55/06/212155506.db2.gz FPKGOWSFMJPUBU-UHFFFAOYSA-N 1 2 346.383 2.081 50 0 biogenic EEAALO O=S(=O)(Cc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000020522148 212143638 /nfs/dbraw/zinc/14/36/38/212143638.db2.gz LARISIHTJJGYAK-UHFFFAOYSA-N 1 2 344.480 2.377 50 0 EEAALO COc1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1O ZINC000019853403 212076623 /nfs/dbraw/zinc/07/66/23/212076623.db2.gz JQSOUTZTYTTXND-UHFFFAOYSA-N 1 2 343.427 2.122 50 0 EEAALO COc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)cc(OC)c1O ZINC000019853403 212076626 /nfs/dbraw/zinc/07/66/26/212076626.db2.gz JQSOUTZTYTTXND-UHFFFAOYSA-N 1 2 343.427 2.122 50 0 EEAALO CS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835217 212073744 /nfs/dbraw/zinc/07/37/44/212073744.db2.gz WPHYFITUFZSFQZ-UHFFFAOYSA-N 1 2 328.437 2.334 50 0 EEAALO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccccc2Cl)NC(=O)NC1 ZINC000019535513 212039472 /nfs/dbraw/zinc/03/94/72/212039472.db2.gz CUGWWDCOLJTPHH-SNVBAGLBSA-N 1 2 337.807 2.121 50 0 EEAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000019532712 212039017 /nfs/dbraw/zinc/03/90/17/212039017.db2.gz RTEDRWUJFCHHBV-OAGGEKHMSA-N 1 2 332.444 2.453 50 0 EEAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000019532712 212039021 /nfs/dbraw/zinc/03/90/21/212039021.db2.gz RTEDRWUJFCHHBV-OAGGEKHMSA-N 1 2 332.444 2.453 50 0 EEAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000012439398 211382047 /nfs/dbraw/zinc/38/20/47/211382047.db2.gz NSBUBXCVANXVBD-KRWDZBQOSA-N 1 2 348.406 2.046 50 0 EEAALO CN1C[C@@]2(CC[N@H+](Cc3cc(=O)c4cccc(Cl)c4[nH]3)C2)OC1=O ZINC000091643984 218037751 /nfs/dbraw/zinc/03/77/51/218037751.db2.gz QMUJZJWPYGPJMQ-QGZVFWFLSA-N 1 2 347.802 2.208 50 0 EEAALO CN1C[C@@]2(CC[N@@H+](Cc3cc(=O)c4cccc(Cl)c4[nH]3)C2)OC1=O ZINC000091643984 218037753 /nfs/dbraw/zinc/03/77/53/218037753.db2.gz QMUJZJWPYGPJMQ-QGZVFWFLSA-N 1 2 347.802 2.208 50 0 EEAALO COc1cc(OC)c(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)c(C(=O)[O-])c1 ZINC000097463661 219026378 /nfs/dbraw/zinc/02/63/78/219026378.db2.gz KDSQXSJJWJAERO-GOSISDBHSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)c(C(=O)[O-])c1 ZINC000097463661 219026380 /nfs/dbraw/zinc/02/63/80/219026380.db2.gz KDSQXSJJWJAERO-GOSISDBHSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)c(C(=O)[O-])c1 ZINC000097463661 219026381 /nfs/dbraw/zinc/02/63/81/219026381.db2.gz KDSQXSJJWJAERO-GOSISDBHSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)c(C(=O)[O-])c1 ZINC000097463661 219026383 /nfs/dbraw/zinc/02/63/83/219026383.db2.gz KDSQXSJJWJAERO-GOSISDBHSA-N 1 2 336.432 2.176 50 0 EEAALO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000117879828 221095950 /nfs/dbraw/zinc/09/59/50/221095950.db2.gz KHHAEFVXGJLCJC-SFHVURJKSA-N 1 2 340.427 2.292 50 0 EEAALO Cc1cc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc[nH+]1 ZINC000119668066 221372210 /nfs/dbraw/zinc/37/22/10/221372210.db2.gz OSGOIDSURRXOCY-UHFFFAOYSA-N 1 2 328.372 2.409 50 0 EEAALO CCn1ccc2cc(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)C3)ccc21 ZINC000299780585 258089548 /nfs/dbraw/zinc/08/95/48/258089548.db2.gz ARHPXDHQJDMUMC-GOSISDBHSA-N 1 2 340.471 2.123 50 0 EEAALO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2O)c1 ZINC000299789432 258095540 /nfs/dbraw/zinc/09/55/40/258095540.db2.gz WTWQFWXMDWVZQG-IAGOWNOFSA-N 1 2 345.468 2.125 50 0 EEAALO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2O)c1 ZINC000299789432 258095541 /nfs/dbraw/zinc/09/55/41/258095541.db2.gz WTWQFWXMDWVZQG-IAGOWNOFSA-N 1 2 345.468 2.125 50 0 EEAALO C[C@@H]1C[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@@H](C)O1 ZINC000020082079 258057269 /nfs/dbraw/zinc/05/72/69/258057269.db2.gz YWALBOPAKNALKZ-ZIAGYGMSSA-N 1 2 327.428 2.162 50 0 EEAALO O=c1cc(C[NH+]2CCN(c3ccccn3)CC2)c2cc(O)ccc2o1 ZINC000012390024 135641421 /nfs/dbraw/zinc/64/14/21/135641421.db2.gz LIUYREHSEHXNJX-UHFFFAOYSA-N 1 2 337.379 2.216 50 0 EEAALO O=C(/C=C/c1ccco1)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000085472171 462550549 /nfs/dbraw/zinc/55/05/49/462550549.db2.gz SFCNLGQIHLWOMV-AATRIKPKSA-N 1 2 349.394 2.222 50 0 EEAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C)C3)cc1 ZINC000004087032 462628370 /nfs/dbraw/zinc/62/83/70/462628370.db2.gz BESYQBGUEFBYKN-UHFFFAOYSA-N 1 2 329.425 2.396 50 0 EEAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C)C3)cc1 ZINC000004087032 462628377 /nfs/dbraw/zinc/62/83/77/462628377.db2.gz BESYQBGUEFBYKN-UHFFFAOYSA-N 1 2 329.425 2.396 50 0 EEAALO CCOc1cccc(OCC[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000065386385 462761184 /nfs/dbraw/zinc/76/11/84/462761184.db2.gz DBNNSPJQRWPGAR-IBGZPJMESA-N 1 2 334.460 2.261 50 0 EEAALO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)[nH+]1 ZINC000008750632 462795032 /nfs/dbraw/zinc/79/50/32/462795032.db2.gz CZAVRQRDHSGRAV-JTQLQIEISA-N 1 2 346.412 2.258 50 0 EEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc2c(s1)CCC2 ZINC000010718735 462822995 /nfs/dbraw/zinc/82/29/95/462822995.db2.gz IHEZGAXWEHPGGE-UHFFFAOYSA-N 1 2 343.452 2.398 50 0 EEAALO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1(Cl)Cl ZINC000012224601 462848309 /nfs/dbraw/zinc/84/83/09/462848309.db2.gz KHKZNPMWXVGTQJ-AWEZNQCLSA-N 1 2 344.242 2.118 50 0 EEAALO CNc1nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCOC)C2)cs1 ZINC000092028271 462920771 /nfs/dbraw/zinc/92/07/71/462920771.db2.gz OMOBBONICXMKEY-GFCCVEGCSA-N 1 2 349.460 2.048 50 0 EEAALO COC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000067286610 462988097 /nfs/dbraw/zinc/98/80/97/462988097.db2.gz XZALECGRURZWOU-KRWDZBQOSA-N 1 2 343.427 2.200 50 0 EEAALO COc1c2c(cc3c1[C@@H](CC(=O)C(F)(F)F)[N@H+](C)CC3)OCO2 ZINC000020111909 463023596 /nfs/dbraw/zinc/02/35/96/463023596.db2.gz JFEQXPXHIDGNQO-SECBINFHSA-N 1 2 331.290 2.474 50 0 biogenic EEAALO COc1c2c(cc3c1[C@@H](CC(=O)C(F)(F)F)[N@@H+](C)CC3)OCO2 ZINC000020111909 463023599 /nfs/dbraw/zinc/02/35/99/463023599.db2.gz JFEQXPXHIDGNQO-SECBINFHSA-N 1 2 331.290 2.474 50 0 biogenic EEAALO Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@@H+](C2CCCCC2)C3)cc1 ZINC000020567683 463029603 /nfs/dbraw/zinc/02/96/03/463029603.db2.gz DZICAEQBQXEDCH-UHFFFAOYSA-N 1 2 340.427 2.352 50 0 EEAALO Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@H+](C2CCCCC2)C3)cc1 ZINC000020567683 463029607 /nfs/dbraw/zinc/02/96/07/463029607.db2.gz DZICAEQBQXEDCH-UHFFFAOYSA-N 1 2 340.427 2.352 50 0 EEAALO Nc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000067754484 463047029 /nfs/dbraw/zinc/04/70/29/463047029.db2.gz ORGWZSQOHQVBEA-UHFFFAOYSA-N 1 2 341.459 2.243 50 0 EEAALO Nc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)[nH+]c(N)n1 ZINC000067754484 463047035 /nfs/dbraw/zinc/04/70/35/463047035.db2.gz ORGWZSQOHQVBEA-UHFFFAOYSA-N 1 2 341.459 2.243 50 0 EEAALO C[C@H](CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000024002169 463075334 /nfs/dbraw/zinc/07/53/34/463075334.db2.gz KHTSFETVJDVFTO-QGZVFWFLSA-N 1 2 338.455 2.124 50 0 EEAALO CN(Cc1ccc(-n2cccn2)cc1)c1[nH+]c2c(cc1C(N)=O)CCC2 ZINC000095522083 463102642 /nfs/dbraw/zinc/10/26/42/463102642.db2.gz IBPHOFYSEUIXSS-UHFFFAOYSA-N 1 2 347.422 2.491 50 0 EEAALO O=C(C[NH+]1CCN(c2nccs2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000025057888 463108339 /nfs/dbraw/zinc/10/83/39/463108339.db2.gz RGGNTQOVHKGOJB-CVEARBPZSA-N 1 2 348.516 2.446 50 0 EEAALO CC(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)s1 ZINC000025290833 463116043 /nfs/dbraw/zinc/11/60/43/463116043.db2.gz UPSGZTFMENARTJ-UHFFFAOYSA-N 1 2 345.424 2.112 50 0 EEAALO Cc1c(C(=O)NCCc2cn3ccccc3[nH+]2)[nH]c2c1C(=O)CCC2 ZINC000025528712 463127640 /nfs/dbraw/zinc/12/76/40/463127640.db2.gz DFRBFXOXQKUGCJ-UHFFFAOYSA-N 1 2 336.395 2.462 50 0 EEAALO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000025777869 463138557 /nfs/dbraw/zinc/13/85/57/463138557.db2.gz SVFPVENCWYZMIA-KRWDZBQOSA-N 1 2 346.471 2.104 50 0 EEAALO Cc1ccsc1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027345230 463188627 /nfs/dbraw/zinc/18/86/27/463188627.db2.gz VAVSAYMTNIKSAG-UHFFFAOYSA-N 1 2 346.456 2.288 50 0 EEAALO O=C(NCc1c[nH+]cn1C1CC1)Nc1ccnn1Cc1ccco1 ZINC000096162851 463191990 /nfs/dbraw/zinc/19/19/90/463191990.db2.gz TUPSTYKXACRASO-UHFFFAOYSA-N 1 2 326.360 2.378 50 0 EEAALO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000027566912 463196558 /nfs/dbraw/zinc/19/65/58/463196558.db2.gz VGOQGZCEENSDLT-ZDUSSCGKSA-N 1 2 334.807 2.443 50 0 EEAALO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000027566912 463196561 /nfs/dbraw/zinc/19/65/61/463196561.db2.gz VGOQGZCEENSDLT-ZDUSSCGKSA-N 1 2 334.807 2.443 50 0 EEAALO Cc1noc([C@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000027811155 463204673 /nfs/dbraw/zinc/20/46/73/463204673.db2.gz WVUOCBWXAKKABU-ZDUSSCGKSA-N 1 2 330.436 2.483 50 0 EEAALO O=C(c1ccccc1F)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000030005901 463284472 /nfs/dbraw/zinc/28/44/72/463284472.db2.gz ZNIGAANMWGGRKV-GOSISDBHSA-N 1 2 328.387 2.317 50 0 EEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000097217387 463350005 /nfs/dbraw/zinc/35/00/05/463350005.db2.gz CEKHQIZPOKNCKF-MRXNPFEDSA-N 1 2 346.475 2.114 50 0 EEAALO CCOC(=O)c1c(N)sc2c1CC[N@@H+](C(C)(C)C(=O)OCC)C2 ZINC000031829565 463356633 /nfs/dbraw/zinc/35/66/33/463356633.db2.gz UBTDYQWRUBESTK-UHFFFAOYSA-N 1 2 340.445 2.207 50 0 EEAALO CCOC(=O)c1c(N)sc2c1CC[N@H+](C(C)(C)C(=O)OCC)C2 ZINC000031829565 463356638 /nfs/dbraw/zinc/35/66/38/463356638.db2.gz UBTDYQWRUBESTK-UHFFFAOYSA-N 1 2 340.445 2.207 50 0 EEAALO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc2ccccc2o1 ZINC000031941953 463359515 /nfs/dbraw/zinc/35/95/15/463359515.db2.gz GMQGFXMPVOOESM-GOSISDBHSA-N 1 2 346.452 2.371 50 0 EEAALO CC(=O)Nc1nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000032941306 463404833 /nfs/dbraw/zinc/40/48/33/463404833.db2.gz HBIWAAWEJCAEPJ-HNNXBMFYSA-N 1 2 344.440 2.230 50 0 EEAALO CC(=O)Nc1nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000032941306 463404834 /nfs/dbraw/zinc/40/48/34/463404834.db2.gz HBIWAAWEJCAEPJ-HNNXBMFYSA-N 1 2 344.440 2.230 50 0 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EEAALO Cc1nc([C@@H]2CCC[N@H+](Cc3nc(-c4cccnc4)no3)C2)no1 ZINC000252489993 464966438 /nfs/dbraw/zinc/96/64/38/464966438.db2.gz KGYFVJSMFWLPFY-CYBMUJFWSA-N 1 2 326.360 2.203 50 0 EEAALO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccnc4)no3)C2)no1 ZINC000252489993 464966446 /nfs/dbraw/zinc/96/64/46/464966446.db2.gz KGYFVJSMFWLPFY-CYBMUJFWSA-N 1 2 326.360 2.203 50 0 EEAALO Nc1[nH+]cccc1CNC(=O)c1nc(C2CC2)ncc1Br ZINC000585137413 468987096 /nfs/dbraw/zinc/98/70/96/468987096.db2.gz XTMZENUJVSKAHP-UHFFFAOYSA-N 1 2 348.204 2.024 50 0 EEAALO CCCc1cc(N2CCCN(C(=O)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC001772811125 1410370463 /nfs/dbraw/zinc/37/04/63/1410370463.db2.gz SGSGQJYPHJNGGP-UHFFFAOYSA-N 1 2 346.475 2.203 50 0 EEAALO Cn1ccnc1SCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000827846350 800527526 /nfs/dbraw/zinc/52/75/26/800527526.db2.gz HGLVMXURNYXYLM-UHFFFAOYSA-N 1 2 327.413 2.014 50 0 EEAALO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(Cl)cn1 ZINC001506404949 1114597197 /nfs/dbraw/zinc/59/71/97/1114597197.db2.gz GWVVUEJGNXPZGA-UHFFFAOYSA-N 1 2 346.818 2.052 50 0 EEAALO CCc1nn(C)c(NC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)c1C ZINC001529111446 1121321460 /nfs/dbraw/zinc/32/14/60/1121321460.db2.gz YIQLQTFEHZZSOA-MRXNPFEDSA-N 1 2 327.432 2.462 50 0 EEAALO OC1CCN(c2cc(NCc3ccc4nsnc4c3)[nH+]cn2)CC1 ZINC001529182597 1121358552 /nfs/dbraw/zinc/35/85/52/1121358552.db2.gz VLXKEXMXSWTWCV-UHFFFAOYSA-N 1 2 342.428 2.055 50 0 EEAALO OC1CCN(c2cc(NCc3ccc4nsnc4c3)nc[nH+]2)CC1 ZINC001529182597 1121358560 /nfs/dbraw/zinc/35/85/60/1121358560.db2.gz VLXKEXMXSWTWCV-UHFFFAOYSA-N 1 2 342.428 2.055 50 0 EEAALO COc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000054991980 214263482 /nfs/dbraw/zinc/26/34/82/214263482.db2.gz UHIDLXPSTQKOAS-UHFFFAOYSA-N 1 2 341.411 2.057 50 0 EEAALO COc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1F ZINC000004248471 210151670 /nfs/dbraw/zinc/15/16/70/210151670.db2.gz SNUIRHGBRPHFIE-UHFFFAOYSA-N 1 2 349.387 2.003 50 0 EEAALO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1)C1CC1 ZINC000067894096 215242127 /nfs/dbraw/zinc/24/21/27/215242127.db2.gz HKLJRXFDKNOKSU-LBPRGKRZSA-N 1 2 343.880 2.029 50 0 EEAALO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1)C1CC1 ZINC000067894096 215242129 /nfs/dbraw/zinc/24/21/29/215242129.db2.gz HKLJRXFDKNOKSU-LBPRGKRZSA-N 1 2 343.880 2.029 50 0 EEAALO CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000036254309 213079159 /nfs/dbraw/zinc/07/91/59/213079159.db2.gz HSMGLVBDXKRMRW-QAPCUYQASA-N 1 2 349.519 2.262 50 0 EEAALO CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000036254304 213078702 /nfs/dbraw/zinc/07/87/02/213078702.db2.gz HSMGLVBDXKRMRW-CRAIPNDOSA-N 1 2 349.519 2.262 50 0 EEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000072133725 216022143 /nfs/dbraw/zinc/02/21/43/216022143.db2.gz UMBJLKBHXJGYQU-APWZRJJASA-N 1 2 341.411 2.370 50 0 EEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000072133725 216022146 /nfs/dbraw/zinc/02/21/46/216022146.db2.gz UMBJLKBHXJGYQU-APWZRJJASA-N 1 2 341.411 2.370 50 0 EEAALO CCc1nn2c(nc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2=O)s1 ZINC000072162099 216050150 /nfs/dbraw/zinc/05/01/50/216050150.db2.gz NLAARRMYYMLWKD-AWEZNQCLSA-N 1 2 341.440 2.446 50 0 EEAALO CCc1nn2c(nc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2=O)s1 ZINC000072162099 216050153 /nfs/dbraw/zinc/05/01/53/216050153.db2.gz NLAARRMYYMLWKD-AWEZNQCLSA-N 1 2 341.440 2.446 50 0 EEAALO CCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072169629 216060850 /nfs/dbraw/zinc/06/08/50/216060850.db2.gz NJACZIMAELJKJO-GOSISDBHSA-N 1 2 343.471 2.026 50 0 EEAALO CCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072169629 216060852 /nfs/dbraw/zinc/06/08/52/216060852.db2.gz NJACZIMAELJKJO-GOSISDBHSA-N 1 2 343.471 2.026 50 0 EEAALO C[C@@H](CN(C)C(=O)c1cccc(CCC(C)(C)O)c1)[NH+]1CCOCC1 ZINC000072421841 216210793 /nfs/dbraw/zinc/21/07/93/216210793.db2.gz NEWBTEHAHOTUMR-INIZCTEOSA-N 1 2 348.487 2.183 50 0 EEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(c2nccs2)C1 ZINC000072433508 216227864 /nfs/dbraw/zinc/22/78/64/216227864.db2.gz NGCOATSCKZFDFR-ZDUSSCGKSA-N 1 2 332.477 2.251 50 0 EEAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000023320417 212367499 /nfs/dbraw/zinc/36/74/99/212367499.db2.gz BCTVSJMPEVYKAR-SCLBCKFNSA-N 1 2 337.379 2.222 50 0 EEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1ccc(F)cc1F ZINC000022752724 212321375 /nfs/dbraw/zinc/32/13/75/212321375.db2.gz SFLZOKDCOKCWFE-UHFFFAOYSA-N 1 2 335.354 2.314 50 0 EEAALO CCc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC000215686077 241139880 /nfs/dbraw/zinc/13/98/80/241139880.db2.gz ARWRCRZPTBPPAF-UHFFFAOYSA-N 1 2 335.839 2.469 50 0 EEAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)c1ccn(CC)n1 ZINC000216141311 241165815 /nfs/dbraw/zinc/16/58/15/241165815.db2.gz XCVHMXNNDBMALJ-UHFFFAOYSA-N 1 2 341.415 2.493 50 0 EEAALO Cc1n[nH]c(C)c1CCN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000426494715 241298472 /nfs/dbraw/zinc/29/84/72/241298472.db2.gz YOOHQWJYSMQMEA-UHFFFAOYSA-N 1 2 340.431 2.367 50 0 EEAALO Fc1cccc(F)c1C[N@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000020455646 212131775 /nfs/dbraw/zinc/13/17/75/212131775.db2.gz OQGFNOGGTWPZOR-HNNXBMFYSA-N 1 2 334.370 2.466 50 0 EEAALO Fc1cccc(F)c1C[N@@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000020455646 212131778 /nfs/dbraw/zinc/13/17/78/212131778.db2.gz OQGFNOGGTWPZOR-HNNXBMFYSA-N 1 2 334.370 2.466 50 0 EEAALO O=C(c1ccccc1-n1cccn1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020254694 212114115 /nfs/dbraw/zinc/11/41/15/212114115.db2.gz YDUIILJLZLGIMX-UHFFFAOYSA-N 1 2 347.422 2.225 50 0 EEAALO CCc1nc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000120428081 221576439 /nfs/dbraw/zinc/57/64/39/221576439.db2.gz JEVJIGGHBQGQIM-GFCCVEGCSA-N 1 2 331.445 2.179 50 0 EEAALO Cc1nc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc(C(C)C)[nH+]1 ZINC000077421839 293198940 /nfs/dbraw/zinc/19/89/40/293198940.db2.gz HMLNOWXWGPQUBS-LJQANCHMSA-N 1 2 346.475 2.110 50 0 EEAALO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCN(c2ccccc2)CC1 ZINC000085558248 462552439 /nfs/dbraw/zinc/55/24/39/462552439.db2.gz FYZRYKQJPKJNHW-UHFFFAOYSA-N 1 2 333.395 2.230 50 0 EEAALO COc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000000544667 462570036 /nfs/dbraw/zinc/57/00/36/462570036.db2.gz TWVZCOKLWZPBHA-CQSZACIVSA-N 1 2 325.372 2.415 50 0 EEAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004990247 462643064 /nfs/dbraw/zinc/64/30/64/462643064.db2.gz YNOXHCQFOLNXQE-UHFFFAOYSA-N 1 2 343.427 2.430 50 0 EEAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCc1ccccc1Cl ZINC000006652174 462694330 /nfs/dbraw/zinc/69/43/30/462694330.db2.gz XPJWKKRDFAQBFD-UHFFFAOYSA-N 1 2 344.846 2.173 50 0 EEAALO CCc1c[nH+]c(C)nc1N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065388121 462762884 /nfs/dbraw/zinc/76/28/84/462762884.db2.gz XGPIYRRYDJVVGQ-JKSUJKDBSA-N 1 2 341.411 2.431 50 0 EEAALO Cc1cccn2c(CC(=O)N[C@H](Cn3cc[nH+]c3)C(C)C)cnc12 ZINC000065406517 462766417 /nfs/dbraw/zinc/76/64/17/462766417.db2.gz IWFQJDCJPDQHEZ-MRXNPFEDSA-N 1 2 325.416 2.223 50 0 EEAALO COc1ccnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000012729998 462864369 /nfs/dbraw/zinc/86/43/69/462864369.db2.gz ZTSKNBBYVGNHPQ-UHFFFAOYSA-N 1 2 341.415 2.000 50 0 EEAALO Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C2)n1 ZINC000091781113 462906630 /nfs/dbraw/zinc/90/66/30/462906630.db2.gz GEQHTPBASTWDAI-OAHLLOKOSA-N 1 2 339.399 2.425 50 0 EEAALO Cc1noc(C)c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000017521638 463000505 /nfs/dbraw/zinc/00/05/05/463000505.db2.gz ZSTZTAIDLGMIBP-CQSZACIVSA-N 1 2 346.412 2.093 50 0 EEAALO O=C(c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024179340 463079380 /nfs/dbraw/zinc/07/93/80/463079380.db2.gz ZYFOMNJELUKGMD-UHFFFAOYSA-N 1 2 344.436 2.477 50 0 EEAALO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413717 463124863 /nfs/dbraw/zinc/12/48/63/463124863.db2.gz RYESZKXXUUPQKD-QLFBSQMISA-N 1 2 345.443 2.250 50 0 EEAALO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413717 463124867 /nfs/dbraw/zinc/12/48/67/463124867.db2.gz RYESZKXXUUPQKD-QLFBSQMISA-N 1 2 345.443 2.250 50 0 EEAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc2c(c1)NC(=O)CS2 ZINC000025696789 463135498 /nfs/dbraw/zinc/13/54/98/463135498.db2.gz BVETVCABKLWMJR-UHFFFAOYSA-N 1 2 338.392 2.309 50 0 EEAALO CN1C(=O)C[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000026747805 463170021 /nfs/dbraw/zinc/17/00/21/463170021.db2.gz SUXPCHSBZFPNTM-INIZCTEOSA-N 1 2 348.406 2.143 50 0 EEAALO Cn1cc(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cn1 ZINC000026885429 463175154 /nfs/dbraw/zinc/17/51/54/463175154.db2.gz PVPILVIZOLAFSA-IWAYRVGRSA-N 1 2 339.374 2.212 50 0 EEAALO O=C(c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000026939010 463177876 /nfs/dbraw/zinc/17/78/76/463177876.db2.gz UWKBSEBFYBJMJX-HNNXBMFYSA-N 1 2 334.416 2.379 50 0 EEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000027136814 463182648 /nfs/dbraw/zinc/18/26/48/463182648.db2.gz MHGYDUOUBGBEKJ-SFHVURJKSA-N 1 2 349.390 2.243 50 0 EEAALO Cc1cc(C)n(Cc2cccc(C(=O)N3CCc4[nH]c[nH+]c4C3)c2)n1 ZINC000096137321 463185148 /nfs/dbraw/zinc/18/51/48/463185148.db2.gz AYAUFBWUVHPYCP-UHFFFAOYSA-N 1 2 335.411 2.470 50 0 EEAALO Cc1cc(C)n(Cc2cccc(C(=O)N3CCc4[nH+]c[nH]c4C3)c2)n1 ZINC000096137321 463185151 /nfs/dbraw/zinc/18/51/51/463185151.db2.gz AYAUFBWUVHPYCP-UHFFFAOYSA-N 1 2 335.411 2.470 50 0 EEAALO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1F ZINC000028040889 463215268 /nfs/dbraw/zinc/21/52/68/463215268.db2.gz UPKGAWKXAAHPPL-UHFFFAOYSA-N 1 2 335.404 2.299 50 0 EEAALO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000028891863 463235795 /nfs/dbraw/zinc/23/57/95/463235795.db2.gz DKFVUWSIUWDMRQ-KRWDZBQOSA-N 1 2 343.427 2.344 50 0 EEAALO O=C(CCc1cccnc1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816564 463352473 /nfs/dbraw/zinc/35/24/73/463352473.db2.gz BZNIXEHSBMXEEF-UHFFFAOYSA-N 1 2 325.412 2.485 50 0 EEAALO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cccc(F)c3)CC2)c1=N ZINC000101182884 463376767 /nfs/dbraw/zinc/37/67/67/463376767.db2.gz XDWLJJHHBRVISE-UHFFFAOYSA-N 1 2 346.406 2.449 50 0 EEAALO OCCNc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc[nH+]1 ZINC000071575163 463418013 /nfs/dbraw/zinc/41/80/13/463418013.db2.gz BOLGWBFNEYTMMH-AWEZNQCLSA-N 1 2 334.807 2.112 50 0 EEAALO OCCNc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)[nH+]cn1 ZINC000071575163 463418015 /nfs/dbraw/zinc/41/80/15/463418015.db2.gz BOLGWBFNEYTMMH-AWEZNQCLSA-N 1 2 334.807 2.112 50 0 EEAALO Cn1ncc2c1nc[nH+]c2NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000171987263 463963166 /nfs/dbraw/zinc/96/31/66/463963166.db2.gz JMXKBUXQZXTTQR-CQSZACIVSA-N 1 2 337.305 2.225 50 0 EEAALO Cc1ccc(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1 ZINC000221186216 464119227 /nfs/dbraw/zinc/11/92/27/464119227.db2.gz ZVOIWUANLPRLAA-SFHVURJKSA-N 1 2 341.415 2.006 50 0 EEAALO Cc1ccc(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1 ZINC000221186216 464119232 /nfs/dbraw/zinc/11/92/32/464119232.db2.gz ZVOIWUANLPRLAA-SFHVURJKSA-N 1 2 341.415 2.006 50 0 EEAALO Cc1cc(C)n([C@H]2CCN(C(=O)NCc3c[nH+]cn3C3CC3)C2)n1 ZINC000584893955 468957685 /nfs/dbraw/zinc/95/76/85/468957685.db2.gz OIPIDQSSQPJOOK-HNNXBMFYSA-N 1 2 328.420 2.188 50 0 EEAALO CC(C)OC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082108455 1188877790 /nfs/dbraw/zinc/87/77/90/1188877790.db2.gz GSXPWHTZBCTACR-GOSISDBHSA-N 1 2 348.447 2.202 50 0 EEAALO CC(C)OC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082108455 1188877793 /nfs/dbraw/zinc/87/77/93/1188877793.db2.gz GSXPWHTZBCTACR-GOSISDBHSA-N 1 2 348.447 2.202 50 0 EEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)C3=CCCCC3)C2)CC1 ZINC000055169071 1246347325 /nfs/dbraw/zinc/34/73/25/1246347325.db2.gz KITJMRYFJAOVFD-KRWDZBQOSA-N 1 2 349.475 2.252 50 0 EEAALO CCOC(=O)c1ccc2nc(NC(=O)Cn3cc[nH+]c3)sc2c1 ZINC001772491502 1410209444 /nfs/dbraw/zinc/20/94/44/1410209444.db2.gz UXTZNSBZVURNQZ-UHFFFAOYSA-N 1 2 330.369 2.308 50 0 EEAALO CCc1nnc(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[nH]1 ZINC000055404114 214320657 /nfs/dbraw/zinc/32/06/57/214320657.db2.gz JIGBWJRRKURHQF-LBPRGKRZSA-N 1 2 349.460 2.006 50 0 EEAALO CCc1nc(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n[nH]1 ZINC000055404114 214320662 /nfs/dbraw/zinc/32/06/62/214320662.db2.gz JIGBWJRRKURHQF-LBPRGKRZSA-N 1 2 349.460 2.006 50 0 EEAALO CCc1n[nH]c(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000055404114 214320663 /nfs/dbraw/zinc/32/06/63/214320663.db2.gz JIGBWJRRKURHQF-LBPRGKRZSA-N 1 2 349.460 2.006 50 0 EEAALO CN(c1[nH+]cccc1CNc1cncc(C(N)=O)n1)C1CCCCC1 ZINC000067472906 215150665 /nfs/dbraw/zinc/15/06/65/215150665.db2.gz GKWOQKCBHNHJKC-UHFFFAOYSA-N 1 2 340.431 2.352 50 0 EEAALO CN(C)c1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc[nH+]1 ZINC000067513690 215155979 /nfs/dbraw/zinc/15/59/79/215155979.db2.gz JJLOZMFOIJWSAQ-UHFFFAOYSA-N 1 2 338.390 2.447 50 0 EEAALO CN(C)c1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)[nH+]cn1 ZINC000067513690 215155982 /nfs/dbraw/zinc/15/59/82/215155982.db2.gz JJLOZMFOIJWSAQ-UHFFFAOYSA-N 1 2 338.390 2.447 50 0 EEAALO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1noc(C3CCCC3)n1)CC2 ZINC000072144303 216030368 /nfs/dbraw/zinc/03/03/68/216030368.db2.gz VLGGODQPOSEQJD-CQSZACIVSA-N 1 2 348.447 2.098 50 0 EEAALO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1noc(C3CCCC3)n1)CC2 ZINC000072144303 216030369 /nfs/dbraw/zinc/03/03/69/216030369.db2.gz VLGGODQPOSEQJD-CQSZACIVSA-N 1 2 348.447 2.098 50 0 EEAALO C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072473519 216250087 /nfs/dbraw/zinc/25/00/87/216250087.db2.gz TYYDXGAGGVHIJD-GFCCVEGCSA-N 1 2 343.383 2.312 50 0 EEAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1OCc1ccccc1 ZINC000023247107 212363108 /nfs/dbraw/zinc/36/31/08/212363108.db2.gz VTOPPEFSFUYUDE-UHFFFAOYSA-N 1 2 340.423 2.328 50 0 EEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1cc(F)cc(F)c1 ZINC000022916316 212334077 /nfs/dbraw/zinc/33/40/77/212334077.db2.gz DHQABYWIYGJEQF-UHFFFAOYSA-N 1 2 335.354 2.314 50 0 EEAALO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000022851686 212328660 /nfs/dbraw/zinc/32/86/60/212328660.db2.gz QLJPTIBDJFBVLD-YXMMZVCTSA-N 1 2 334.460 2.106 50 0 EEAALO Cn1cc[nH+]c1CN(CCO)C(=O)c1cc2cccc(Cl)c2n1C ZINC000215758659 241144972 /nfs/dbraw/zinc/14/49/72/241144972.db2.gz ZNMSTDGCJHWZSI-UHFFFAOYSA-N 1 2 346.818 2.200 50 0 EEAALO COCCN(Cc1ccccn1)c1cc([C@H]2CCOC2)[nH+]c(C)n1 ZINC000426379588 241270179 /nfs/dbraw/zinc/27/01/79/241270179.db2.gz ATJVZZUQPQUFTJ-HNNXBMFYSA-N 1 2 328.416 2.337 50 0 EEAALO O=C(/C=C/c1ccc2c(c1)OCCO2)NCCc1cn2ccccc2[nH+]1 ZINC000021135975 212211740 /nfs/dbraw/zinc/21/17/40/212211740.db2.gz INIDTIYSNSQGMN-FNORWQNLSA-N 1 2 349.390 2.478 50 0 EEAALO CC(C)c1nnsc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000244708340 243064038 /nfs/dbraw/zinc/06/40/38/243064038.db2.gz KRXMWUFUNWDDAZ-CQSZACIVSA-N 1 2 345.472 2.451 50 0 EEAALO CC(C)c1nnsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000244708340 243064046 /nfs/dbraw/zinc/06/40/46/243064046.db2.gz KRXMWUFUNWDDAZ-CQSZACIVSA-N 1 2 345.472 2.451 50 0 EEAALO O=C(C[NH+]1CCC(Oc2ncccn2)CC1)Nc1ccc(Cl)cn1 ZINC000243956704 243036367 /nfs/dbraw/zinc/03/63/67/243036367.db2.gz CCHZVTQNPBTQEC-UHFFFAOYSA-N 1 2 347.806 2.007 50 0 EEAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000019888748 212079396 /nfs/dbraw/zinc/07/93/96/212079396.db2.gz WJIDOHUBRTZINK-UHFFFAOYSA-N 1 2 345.830 2.458 50 0 EEAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000012194161 211315921 /nfs/dbraw/zinc/31/59/21/211315921.db2.gz IJWBGKMTFAKFBF-CYBMUJFWSA-N 1 2 344.390 2.301 50 0 EEAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000012194161 211315924 /nfs/dbraw/zinc/31/59/24/211315924.db2.gz IJWBGKMTFAKFBF-CYBMUJFWSA-N 1 2 344.390 2.301 50 0 EEAALO CCCc1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)n[nH]1 ZINC000091616648 218031595 /nfs/dbraw/zinc/03/15/95/218031595.db2.gz BDUOVVFEUSVMMM-UHFFFAOYSA-N 1 2 327.432 2.105 50 0 EEAALO CCCc1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)n[nH]1 ZINC000091616648 218031597 /nfs/dbraw/zinc/03/15/97/218031597.db2.gz BDUOVVFEUSVMMM-UHFFFAOYSA-N 1 2 327.432 2.105 50 0 EEAALO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000091713458 218053800 /nfs/dbraw/zinc/05/38/00/218053800.db2.gz WMTRRHZIEROTQP-QGZVFWFLSA-N 1 2 348.491 2.038 50 0 EEAALO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)no1 ZINC000009501895 211092929 /nfs/dbraw/zinc/09/29/29/211092929.db2.gz KGXKLCIJKOFSMF-UHFFFAOYSA-N 1 2 348.447 2.036 50 0 EEAALO C[NH+](C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1F ZINC000095374944 218307818 /nfs/dbraw/zinc/30/78/18/218307818.db2.gz HKBMXQIGXXWNIZ-SFHVURJKSA-N 1 2 342.418 2.172 50 0 EEAALO Cn1cc[nH+]c1CN(C(=O)c1cnc(-c2ccncc2)nc1)C1CC1 ZINC000095378313 218311612 /nfs/dbraw/zinc/31/16/12/218311612.db2.gz PSHHKBNHGAMSPB-UHFFFAOYSA-N 1 2 334.383 2.077 50 0 EEAALO O=C(C[C@@H]1[NH2+]CCNC1=O)Nc1ccccc1Sc1ccccc1 ZINC000004983807 210348697 /nfs/dbraw/zinc/34/86/97/210348697.db2.gz HCXRXXXUANUSJF-HNNXBMFYSA-N 1 2 341.436 2.254 50 0 EEAALO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000270381717 256129676 /nfs/dbraw/zinc/12/96/76/256129676.db2.gz PROQBLFQXPSSTB-UHFFFAOYSA-N 1 2 341.337 2.422 50 0 EEAALO Cc1ccccc1N1C(=O)C[C@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000000474052 462566026 /nfs/dbraw/zinc/56/60/26/462566026.db2.gz DLPZWGNBJWNEJG-IBGZPJMESA-N 1 2 349.434 2.449 50 0 EEAALO COc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1OC ZINC000004476261 462633125 /nfs/dbraw/zinc/63/31/25/462633125.db2.gz UNKFYQCVPXXVKZ-UHFFFAOYSA-N 1 2 327.384 2.061 50 0 EEAALO COC(=O)c1sc2[nH]c(C[N@@H+]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000007486468 462738811 /nfs/dbraw/zinc/73/88/11/462738811.db2.gz XDMWXZHKGUTNHX-SECBINFHSA-N 1 2 335.429 2.454 50 0 EEAALO COC(=O)c1sc2[nH]c(C[N@H+]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000007486468 462738814 /nfs/dbraw/zinc/73/88/14/462738814.db2.gz XDMWXZHKGUTNHX-SECBINFHSA-N 1 2 335.429 2.454 50 0 EEAALO CCCN(Cc1[nH+]ccn1C)C(=O)CC(=O)Nc1ccc(C)cc1 ZINC000065461295 462774478 /nfs/dbraw/zinc/77/44/78/462774478.db2.gz IYLNWICOGWTZOW-UHFFFAOYSA-N 1 2 328.416 2.496 50 0 EEAALO CC(C)[N@H+](CC(N)=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000012791583 462868859 /nfs/dbraw/zinc/86/88/59/462868859.db2.gz JNYVMMNGBISZAJ-OAHLLOKOSA-N 1 2 331.460 2.009 50 0 EEAALO CC(C)[N@@H+](CC(N)=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000012791583 462868863 /nfs/dbraw/zinc/86/88/63/462868863.db2.gz JNYVMMNGBISZAJ-OAHLLOKOSA-N 1 2 331.460 2.009 50 0 EEAALO C[NH+](C)[C@@H](CNc1ccc2nnnn2n1)c1c(F)cccc1Cl ZINC000014112288 462910962 /nfs/dbraw/zinc/91/09/62/462910962.db2.gz ZKUNJMNNBUPJNA-NSHDSACASA-N 1 2 335.774 2.027 50 0 EEAALO CC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000016579714 462983215 /nfs/dbraw/zinc/98/32/15/462983215.db2.gz MSEWCMGYELVSPM-UHFFFAOYSA-N 1 2 337.272 2.461 50 0 EEAALO Cc1[nH]c2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2[nH+]1 ZINC000017841499 463002121 /nfs/dbraw/zinc/00/21/21/463002121.db2.gz FQEFDPKUALVKBX-UHFFFAOYSA-N 1 2 336.351 2.235 50 0 EEAALO S=C(NCCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018250981 463010501 /nfs/dbraw/zinc/01/05/01/463010501.db2.gz WURQSKXMLJSTAG-UHFFFAOYSA-N 1 2 326.469 2.321 50 0 EEAALO COC(=O)c1ccc(N2CCN(c3cccc([C@@H](C)O)[nH+]3)CC2)cc1 ZINC000095521227 463102451 /nfs/dbraw/zinc/10/24/51/463102451.db2.gz OJSFPARPHCCZHL-CQSZACIVSA-N 1 2 341.411 2.248 50 0 EEAALO CN(Cc1ccsc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000026386696 463161070 /nfs/dbraw/zinc/16/10/70/463161070.db2.gz KPPVKSUBFROPQA-UHFFFAOYSA-N 1 2 346.456 2.321 50 0 EEAALO CCCc1nc(N2CCC(c3nnc(C[NH+](C)C)n3CC)CC2)no1 ZINC000096163206 463192340 /nfs/dbraw/zinc/19/23/40/463192340.db2.gz NHUYJWOKBRYWFF-UHFFFAOYSA-N 1 2 347.467 2.079 50 0 EEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000030311650 463294107 /nfs/dbraw/zinc/29/41/07/463294107.db2.gz WHQGUGGZEVKFLY-UHFFFAOYSA-N 1 2 333.338 2.126 50 0 EEAALO O=C(CCc1cn2ccccc2[nH+]1)NC[C@@H](CO)Cc1cccs1 ZINC000097076276 463313616 /nfs/dbraw/zinc/31/36/16/463313616.db2.gz JFLLJILMPMEDON-AWEZNQCLSA-N 1 2 343.452 2.296 50 0 EEAALO O=C(c1cnc2ccccc2c1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031544621 463343770 /nfs/dbraw/zinc/34/37/70/463343770.db2.gz GPTAVURPSGNOHC-UHFFFAOYSA-N 1 2 347.418 2.486 50 0 EEAALO CC12CN3CC(c4ccccc4)(C[N@H+](C1)C3c1ccc(N)cc1)[C@@H]2O ZINC000032123781 463364542 /nfs/dbraw/zinc/36/45/42/463364542.db2.gz SSVKAYHLFMWEMN-BJODSLRWSA-N 1 2 335.451 2.217 50 0 biogenic EEAALO CC12CN3CC(c4ccccc4)(C[N@@H+](C1)C3c1ccc(N)cc1)[C@@H]2O ZINC000032123781 463364549 /nfs/dbraw/zinc/36/45/49/463364549.db2.gz SSVKAYHLFMWEMN-BJODSLRWSA-N 1 2 335.451 2.217 50 0 biogenic EEAALO CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000032970951 463405852 /nfs/dbraw/zinc/40/58/52/463405852.db2.gz UANRFOPFSCUTLX-DYVFJYSZSA-N 1 2 328.416 2.210 50 0 EEAALO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N3CC[NH+](C)CC3)nc2c1 ZINC000072150541 463482017 /nfs/dbraw/zinc/48/20/17/463482017.db2.gz DFEXGGDTNHRNHI-INIZCTEOSA-N 1 2 327.432 2.376 50 0 EEAALO Cc1ccc2nc([C@@H]3CCCN3C(=O)N3CC[NH+](C)CC3)[nH]c2c1 ZINC000072150541 463482023 /nfs/dbraw/zinc/48/20/23/463482023.db2.gz DFEXGGDTNHRNHI-INIZCTEOSA-N 1 2 327.432 2.376 50 0 EEAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106829151 463540961 /nfs/dbraw/zinc/54/09/61/463540961.db2.gz GFIBQNTVEVSTCA-BRWVUGGUSA-N 1 2 329.444 2.468 50 0 EEAALO C[N@H+](CC(=O)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)Cc1cccnc1 ZINC000219760641 464110529 /nfs/dbraw/zinc/11/05/29/464110529.db2.gz ZAVXVBMMOKWPPA-NSHGMRRFSA-N 1 2 339.439 2.142 50 0 EEAALO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)Cc1cccnc1 ZINC000219760641 464110536 /nfs/dbraw/zinc/11/05/36/464110536.db2.gz ZAVXVBMMOKWPPA-NSHGMRRFSA-N 1 2 339.439 2.142 50 0 EEAALO Cc1ccc2nc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2c1 ZINC000263956437 464252703 /nfs/dbraw/zinc/25/27/03/464252703.db2.gz NXQNRSBLEFHXNA-CQSZACIVSA-N 1 2 338.415 2.455 50 0 EEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000253495723 465017549 /nfs/dbraw/zinc/01/75/49/465017549.db2.gz OSEAWBLTBCMVRG-UHFFFAOYSA-N 1 2 348.447 2.431 50 0 EEAALO O=C(Cc1c(F)cccc1Cl)NCCOCCn1cc[nH+]c1 ZINC000575620470 468152177 /nfs/dbraw/zinc/15/21/77/468152177.db2.gz TVEFSDVWEZFTHY-UHFFFAOYSA-N 1 2 325.771 2.051 50 0 EEAALO CC[C@H](NC(=O)N1CCN(c2cccnc2)CC1)c1[nH]cc(C)[nH+]1 ZINC000584889901 468956701 /nfs/dbraw/zinc/95/67/01/468956701.db2.gz KHUJABYQGZISDY-HNNXBMFYSA-N 1 2 328.420 2.096 50 0 EEAALO C[C@H](CO)CNc1[nH+]cnc2c1c(Br)nn2C(C)(C)C ZINC000585134966 468986078 /nfs/dbraw/zinc/98/60/78/468986078.db2.gz RANXZLYIEGOKNE-QMMMGPOBSA-N 1 2 342.241 2.384 50 0 EEAALO CC(=O)N(CC[NH+]1CCN(C(C)=O)CC1)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000169296112 526487392 /nfs/dbraw/zinc/48/73/92/526487392.db2.gz HRUBGZMAOSUVOK-ABSDTBQOSA-N 1 2 349.519 2.237 50 0 EEAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)NCCc1c[nH+]c[nH]1 ZINC000426549925 536450218 /nfs/dbraw/zinc/45/02/18/536450218.db2.gz LFQQWFQKEPLCMP-OAHLLOKOSA-N 1 2 327.432 2.120 50 0 EEAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)NCCc1c[nH]c[nH+]1 ZINC000426549925 536450220 /nfs/dbraw/zinc/45/02/20/536450220.db2.gz LFQQWFQKEPLCMP-OAHLLOKOSA-N 1 2 327.432 2.120 50 0 EEAALO CCOC(=O)N1CCN(C(=O)c2ccc(-c3[nH+]ccn3C)cc2)CC1 ZINC000426573301 535776242 /nfs/dbraw/zinc/77/62/42/535776242.db2.gz QHEOGMVMKJRLBA-UHFFFAOYSA-N 1 2 342.399 2.001 50 0 EEAALO 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COc1cccc([C@@H](NC(=O)c2cnc(C)cn2)c2[nH+]ccn2C)c1 ZINC000029987218 202192867 /nfs/dbraw/zinc/19/28/67/202192867.db2.gz CNMOEEUKBXTKPM-MRXNPFEDSA-N 1 2 337.383 2.047 50 0 EEAALO CC[C@@](C)(CNC(=O)c1cc(=O)c2ccccc2o1)[NH+]1CCOCC1 ZINC000031929510 202213504 /nfs/dbraw/zinc/21/35/04/202213504.db2.gz DUSMDNPZODYNSM-IBGZPJMESA-N 1 2 344.411 2.024 50 0 EEAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(C2CC2)on1 ZINC000032275502 202223105 /nfs/dbraw/zinc/22/31/05/202223105.db2.gz UBVDHQBESGLSIU-MRXNPFEDSA-N 1 2 341.411 2.183 50 0 EEAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(C2CC2)on1 ZINC000032275502 202223109 /nfs/dbraw/zinc/22/31/09/202223109.db2.gz UBVDHQBESGLSIU-MRXNPFEDSA-N 1 2 341.411 2.183 50 0 EEAALO CCOc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000036051296 202312579 /nfs/dbraw/zinc/31/25/79/202312579.db2.gz LQZBRESVPLSGIS-UHFFFAOYSA-N 1 2 332.853 2.065 50 0 EEAALO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000072270582 202359777 /nfs/dbraw/zinc/35/97/77/202359777.db2.gz 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O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000128219015 203543330 /nfs/dbraw/zinc/54/33/30/203543330.db2.gz YTPUFIVBZPDVAX-OAHLLOKOSA-N 1 2 340.826 2.345 50 0 EEAALO COc1ccc(OC)c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000011935446 211272049 /nfs/dbraw/zinc/27/20/49/211272049.db2.gz UYDLPMDXEOAEOE-UHFFFAOYSA-N 1 2 338.367 2.215 50 0 EEAALO O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000008130817 284917478 /nfs/dbraw/zinc/91/74/78/284917478.db2.gz CYJVBIIBFHKMBH-LJQANCHMSA-N 1 2 332.363 2.228 50 0 EEAALO Cc1csc(CCCNC(=O)C[N@@H+]2CCOc3ccccc3C2)n1 ZINC000299792425 258097772 /nfs/dbraw/zinc/09/77/72/258097772.db2.gz FEHZPOHMGKFJMC-UHFFFAOYSA-N 1 2 345.468 2.395 50 0 EEAALO Cc1csc(CCCNC(=O)C[N@H+]2CCOc3ccccc3C2)n1 ZINC000299792425 258097774 /nfs/dbraw/zinc/09/77/74/258097774.db2.gz FEHZPOHMGKFJMC-UHFFFAOYSA-N 1 2 345.468 2.395 50 0 EEAALO CC(C)[C@H](NC(=O)C1([NH+]2CCOCC2)CCCCC1)c1nccn1C ZINC000299792719 258098261 /nfs/dbraw/zinc/09/82/61/258098261.db2.gz 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O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1n[nH]c2ccccc21 ZINC000022462674 212299377 /nfs/dbraw/zinc/29/93/77/212299377.db2.gz WWGKRRFDTBWSQV-UHFFFAOYSA-N 1 2 342.443 2.328 50 0 EEAALO Cc1nc(N2CCC(Oc3ncccn3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426372248 241268743 /nfs/dbraw/zinc/26/87/43/241268743.db2.gz MXAKPOQKCFWWNO-CQSZACIVSA-N 1 2 341.415 2.127 50 0 EEAALO Cc1nnc(CCNC(=O)c2ccccc2-c2[nH+]ccn2C)s1 ZINC000426551789 241309612 /nfs/dbraw/zinc/30/96/12/241309612.db2.gz KQKFCRAYRMYKCH-UHFFFAOYSA-N 1 2 327.413 2.220 50 0 EEAALO C[N@H+](CC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244708312 243063717 /nfs/dbraw/zinc/06/37/17/243063717.db2.gz KRKYDHKTPQOARQ-JOQOYGCGSA-N 1 2 345.468 2.203 50 0 EEAALO C[N@@H+](CC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244708312 243063722 /nfs/dbraw/zinc/06/37/22/243063722.db2.gz KRKYDHKTPQOARQ-JOQOYGCGSA-N 1 2 345.468 2.203 50 0 EEAALO Cn1ccc(NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000244748777 243075655 /nfs/dbraw/zinc/07/56/55/243075655.db2.gz 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/nfs/dbraw/zinc/44/58/41/464445841.db2.gz UPOUKFOMFFBWSC-ZDUSSCGKSA-N 1 2 349.431 2.365 50 0 EEAALO COc1cccc2cc(C(=O)NCCOCCn3cc[nH+]c3)oc21 ZINC000575618681 468151479 /nfs/dbraw/zinc/15/14/79/468151479.db2.gz FHZAEMOKKCPTFW-UHFFFAOYSA-N 1 2 329.356 2.085 50 0 EEAALO Cc1cc2[nH]c(CCC(=O)NCCSc3nc[nH]n3)[nH+]c2cc1C ZINC000222495380 485533079 /nfs/dbraw/zinc/53/30/79/485533079.db2.gz UCLBMLZWZFUWTC-UHFFFAOYSA-N 1 2 344.444 2.139 50 0 EEAALO Cc1ncc(C(=O)N2CCCC[C@@H]2CCc2[nH+]ccn2C)c(C)n1 ZINC000020167071 1229477140 /nfs/dbraw/zinc/47/71/40/1229477140.db2.gz WQXZCTDDJXIOOC-OAHLLOKOSA-N 1 2 327.432 2.454 50 0 EEAALO Cc1cccn2c(CNC(=O)c3cnc(-c4cccnc4)nc3)c[nH+]c12 ZINC000067954874 1250215555 /nfs/dbraw/zinc/21/55/55/1250215555.db2.gz BNHMMOCDVVFYME-UHFFFAOYSA-N 1 2 344.378 2.425 50 0 EEAALO C[NH+]1CCN(C(=O)c2cc3c4ccccc4[nH]c3c(=O)s2)CC1 ZINC000952985993 796151814 /nfs/dbraw/zinc/15/18/14/796151814.db2.gz FLERTOVPDQSMFP-UHFFFAOYSA-N 1 2 327.409 2.130 50 0 EEAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000097674360 219045932 /nfs/dbraw/zinc/04/59/32/219045932.db2.gz UPOCIGFYXOINCG-INIZCTEOSA-N 1 2 341.411 2.223 50 0 EEAALO Cc1nnc(SCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000055042176 214267083 /nfs/dbraw/zinc/26/70/83/214267083.db2.gz RRTZTJSEAPLOKD-LLVKDONJSA-N 1 2 339.490 2.366 50 0 EEAALO C[C@H](CO)CN(Cc1ccccc1)C(=O)c1csc(C[NH+](C)C)n1 ZINC000055358813 214311299 /nfs/dbraw/zinc/31/12/99/214311299.db2.gz DQGGTJPQFCILNI-AWEZNQCLSA-N 1 2 347.484 2.476 50 0 EEAALO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1OC ZINC000097773248 219057071 /nfs/dbraw/zinc/05/70/71/219057071.db2.gz DKCXJXMAXFLQGT-ZDUSSCGKSA-N 1 2 326.824 2.458 50 0 EEAALO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1OC ZINC000097773248 219057073 /nfs/dbraw/zinc/05/70/73/219057073.db2.gz DKCXJXMAXFLQGT-ZDUSSCGKSA-N 1 2 326.824 2.458 50 0 EEAALO CCOc1ccc(CCCNC(=O)c2[nH]nc3c2C[N@H+](C)CC3)cc1 ZINC000097785595 219058005 /nfs/dbraw/zinc/05/80/05/219058005.db2.gz PFVFBTQMIMDDDS-UHFFFAOYSA-N 1 2 342.443 2.159 50 0 EEAALO CCOc1ccc(CCCNC(=O)c2[nH]nc3c2C[N@@H+](C)CC3)cc1 ZINC000097785595 219058006 /nfs/dbraw/zinc/05/80/06/219058006.db2.gz PFVFBTQMIMDDDS-UHFFFAOYSA-N 1 2 342.443 2.159 50 0 EEAALO CCc1n[nH]c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000097813693 219059111 /nfs/dbraw/zinc/05/91/11/219059111.db2.gz ISBJCSJDUDCAAA-UHFFFAOYSA-N 1 2 334.464 2.045 50 0 EEAALO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)C(=O)NC1CCCC1 ZINC000065398158 214891573 /nfs/dbraw/zinc/89/15/73/214891573.db2.gz WWCGDAUIKAMZLE-NSHDSACASA-N 1 2 332.379 2.413 50 0 EEAALO Cn1nc(CO)c2c1CC[N@H+](Cc1ccc([C@H]3CCCO3)s1)C2 ZINC000102539639 219208935 /nfs/dbraw/zinc/20/89/35/219208935.db2.gz VZQLRILTNGFWSB-MRXNPFEDSA-N 1 2 333.457 2.384 50 0 EEAALO Cn1nc(CO)c2c1CC[N@@H+](Cc1ccc([C@H]3CCCO3)s1)C2 ZINC000102539639 219208938 /nfs/dbraw/zinc/20/89/38/219208938.db2.gz VZQLRILTNGFWSB-MRXNPFEDSA-N 1 2 333.457 2.384 50 0 EEAALO CCc1cc(CN(C)C(=O)C[N@@H+]2CCOc3ccccc3C2)on1 ZINC000067740665 215199423 /nfs/dbraw/zinc/19/94/23/215199423.db2.gz UFDSGYSERHSPCS-UHFFFAOYSA-N 1 2 329.400 2.090 50 0 EEAALO CCc1cc(CN(C)C(=O)C[N@H+]2CCOc3ccccc3C2)on1 ZINC000067740665 215199425 /nfs/dbraw/zinc/19/94/25/215199425.db2.gz UFDSGYSERHSPCS-UHFFFAOYSA-N 1 2 329.400 2.090 50 0 EEAALO COc1cc(C)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1OC ZINC000035310576 213020182 /nfs/dbraw/zinc/02/01/82/213020182.db2.gz NUFRXQQVYZHBDV-QGZVFWFLSA-N 1 2 340.423 2.424 50 0 EEAALO COc1cc(C)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1OC ZINC000035310576 213020185 /nfs/dbraw/zinc/02/01/85/213020185.db2.gz NUFRXQQVYZHBDV-QGZVFWFLSA-N 1 2 340.423 2.424 50 0 EEAALO CSCC[C@H](O)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000072410102 216202232 /nfs/dbraw/zinc/20/22/32/216202232.db2.gz LHDVKNXDVJMAAR-HNNXBMFYSA-N 1 2 342.892 2.098 50 0 EEAALO Cc1ccn(-c2cc(NCCNC(=O)C3CCCCC3)[nH+]cn2)n1 ZINC000072442464 216235298 /nfs/dbraw/zinc/23/52/98/216235298.db2.gz VDGMYOULRCLZJI-UHFFFAOYSA-N 1 2 328.420 2.079 50 0 EEAALO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000022107789 212278122 /nfs/dbraw/zinc/27/81/22/212278122.db2.gz IWGAESBJLDSVBJ-UHFFFAOYSA-N 1 2 341.411 2.057 50 0 EEAALO Cn1cc(S(=O)(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cn1 ZINC000206873333 241054795 /nfs/dbraw/zinc/05/47/95/241054795.db2.gz RXWKWHMUCPCVQS-UHFFFAOYSA-N 1 2 343.412 2.031 50 0 EEAALO COc1c(F)ccc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)c1F ZINC000215575531 241133745 /nfs/dbraw/zinc/13/37/45/241133745.db2.gz MIWREICYTMWIGW-UHFFFAOYSA-N 1 2 337.370 2.197 50 0 EEAALO COc1c(C)c[nH+]c(CN(C)C(=O)CC2=CSC3=NCCN23)c1C ZINC000243892801 243029811 /nfs/dbraw/zinc/02/98/11/243029811.db2.gz ALMOSKTYLJHREI-UHFFFAOYSA-N 1 2 346.456 2.315 50 0 EEAALO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019842112 212075510 /nfs/dbraw/zinc/07/55/10/212075510.db2.gz RBGYTTAMKVBNJC-UHFFFAOYSA-N 1 2 338.407 2.302 50 0 EEAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1OC ZINC000019561068 212042356 /nfs/dbraw/zinc/04/23/56/212042356.db2.gz OTJMCMDXOHKOAA-UHFFFAOYSA-N 1 2 341.411 2.057 50 0 EEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCC2)C[N@@H+]1Cc1ccc(C)s1 ZINC000091391293 218001656 /nfs/dbraw/zinc/00/16/56/218001656.db2.gz PAHXSFRRRNVPDC-ZBFHGGJFSA-N 1 2 349.500 2.052 50 0 EEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCC2)C[N@H+]1Cc1ccc(C)s1 ZINC000091391293 218001658 /nfs/dbraw/zinc/00/16/58/218001658.db2.gz PAHXSFRRRNVPDC-ZBFHGGJFSA-N 1 2 349.500 2.052 50 0 EEAALO Cc1cc(NCCCN2CC[NH+](C)CC2)nc(-c2ccccc2O)n1 ZINC000091706586 218051448 /nfs/dbraw/zinc/05/14/48/218051448.db2.gz AWEZWYMOCWFFOE-UHFFFAOYSA-N 1 2 341.459 2.207 50 0 EEAALO Cc1cc(NCCC[NH+]2CCN(C)CC2)nc(-c2ccccc2O)n1 ZINC000091706586 218051451 /nfs/dbraw/zinc/05/14/51/218051451.db2.gz AWEZWYMOCWFFOE-UHFFFAOYSA-N 1 2 341.459 2.207 50 0 EEAALO CC(=O)NC[C@@H]1CCC2(CCN(c3nc(C)[nH+]c(C)c3C)CC2)O1 ZINC000091876827 218082195 /nfs/dbraw/zinc/08/21/95/218082195.db2.gz YNCFSTYYUFFHGO-INIZCTEOSA-N 1 2 332.448 2.056 50 0 EEAALO Cc1cc(NCCN2CCOC2=O)nc(Nc2cccc(O)c2)[nH+]1 ZINC000091973747 218097383 /nfs/dbraw/zinc/09/73/83/218097383.db2.gz DGWNXXFZJUYKMT-UHFFFAOYSA-N 1 2 329.360 2.098 50 0 EEAALO COC(=O)c1c(NC(=O)Cn2cc[nH+]c2)sc2c1CC[C@H](C)C2 ZINC000010809561 211190228 /nfs/dbraw/zinc/19/02/28/211190228.db2.gz BSIISGKMEZYDNK-JTQLQIEISA-N 1 2 333.413 2.495 50 0 EEAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)C2 ZINC000097198834 218987823 /nfs/dbraw/zinc/98/78/23/218987823.db2.gz RYQWJRFAINGROH-SJLPKXTDSA-N 1 2 335.411 2.109 50 0 EEAALO CCNC(=O)NC(=O)[C@H](Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000007049137 208575564 /nfs/dbraw/zinc/57/55/64/208575564.db2.gz UWTJPQFFTCWQQL-CYBMUJFWSA-N 1 2 345.428 2.046 50 0 EEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000052537702 132184624 /nfs/dbraw/zinc/18/46/24/132184624.db2.gz PBYUVGZTMHHJAK-UHFFFAOYSA-N 1 2 327.403 2.264 50 0 EEAALO COc1cc[nH+]c(CN2CCCN(C(=O)c3ccoc3)CC2)c1OC ZINC000365084116 165374588 /nfs/dbraw/zinc/37/45/88/165374588.db2.gz NTAOJIAXYJWPFU-UHFFFAOYSA-N 1 2 345.399 2.040 50 0 EEAALO COc1ccnc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)c1OC ZINC000365084116 165374591 /nfs/dbraw/zinc/37/45/91/165374591.db2.gz NTAOJIAXYJWPFU-UHFFFAOYSA-N 1 2 345.399 2.040 50 0 EEAALO COc1ccnc(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)c1OC ZINC000365084116 165374593 /nfs/dbraw/zinc/37/45/93/165374593.db2.gz NTAOJIAXYJWPFU-UHFFFAOYSA-N 1 2 345.399 2.040 50 0 EEAALO Cn1nc(-c2ccncc2)nc1C1([NH+]2CCOCC2)CCCCC1 ZINC000095520697 279395221 /nfs/dbraw/zinc/39/52/21/279395221.db2.gz ZIEHNNOVIZMOSP-UHFFFAOYSA-N 1 2 327.432 2.369 50 0 EEAALO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000005989667 295024335 /nfs/dbraw/zinc/02/43/35/295024335.db2.gz ASEBKECJZNMNSC-VHSXEESVSA-N 1 2 336.360 2.359 50 0 EEAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+]([C@@H](C)C(N)=O)CCO2 ZINC000067654311 302074092 /nfs/dbraw/zinc/07/40/92/302074092.db2.gz RNWHLMBKPTZYGH-ZDUSSCGKSA-N 1 2 326.396 2.436 50 0 EEAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+]([C@@H](C)C(N)=O)CCO2 ZINC000067654311 302074094 /nfs/dbraw/zinc/07/40/94/302074094.db2.gz RNWHLMBKPTZYGH-ZDUSSCGKSA-N 1 2 326.396 2.436 50 0 EEAALO COc1ccc(Cc2nc(-c3ccccc3)n[nH+]c2NN)cc1OC ZINC000000333068 462554536 /nfs/dbraw/zinc/55/45/36/462554536.db2.gz VBZZUDWAYLPTKL-UHFFFAOYSA-N 1 2 337.383 2.432 50 0 EEAALO CC(C)C[C@H]([NH3+])c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 ZINC000000538748 462568902 /nfs/dbraw/zinc/56/89/02/462568902.db2.gz SIOHYIWEEKQNQO-LBPRGKRZSA-N 1 2 327.381 2.229 50 0 aggregator EEAALO CCN(Cc1[nH+]ccn1C)C(=O)CC(=O)Nc1cc(C)cc(C)c1 ZINC000065376428 462759569 /nfs/dbraw/zinc/75/95/69/462759569.db2.gz LIKYUQCVEHJQSM-UHFFFAOYSA-N 1 2 328.416 2.414 50 0 EEAALO CCOC(=O)C1CC[NH+](Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000008148563 462769440 /nfs/dbraw/zinc/76/94/40/462769440.db2.gz YTDHVELOSIMTEQ-UHFFFAOYSA-N 1 2 338.791 2.481 50 0 EEAALO NC(=O)c1csc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000065469889 462775855 /nfs/dbraw/zinc/77/58/55/462775855.db2.gz JABYEDJNCFUIKS-QPJJXVBHSA-N 1 2 328.441 2.077 50 0 EEAALO CCCc1cc(N2CCN(Cc3cccnc3OC)CC2)nc(C)[nH+]1 ZINC000065490309 462779405 /nfs/dbraw/zinc/77/94/05/462779405.db2.gz JYDMEIJJKPNGPI-UHFFFAOYSA-N 1 2 341.459 2.463 50 0 EEAALO COc1ccccc1-n1nc(CC(C)C)nc1C[NH+]1CCC(O)CC1 ZINC000065489862 462780159 /nfs/dbraw/zinc/78/01/59/462780159.db2.gz NXLPRJGLCVGNCY-UHFFFAOYSA-N 1 2 344.459 2.431 50 0 EEAALO Cn1ncc2c1nc[nH+]c2N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012486446 462854532 /nfs/dbraw/zinc/85/45/32/462854532.db2.gz XUVFJGMOVMBWPQ-UHFFFAOYSA-N 1 2 336.399 2.218 50 0 EEAALO Cn1cc[nH+]c1[C@H](NC(=O)CSc1ncccn1)c1ccccc1 ZINC000012540876 462856065 /nfs/dbraw/zinc/85/60/65/462856065.db2.gz ICOQYBVIGTYNMO-OAHLLOKOSA-N 1 2 339.424 2.208 50 0 EEAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(=O)[nH]c2ccccc21 ZINC000012666844 462862515 /nfs/dbraw/zinc/86/25/15/462862515.db2.gz URIVCGMKKHGUGO-UHFFFAOYSA-N 1 2 332.363 2.148 50 0 EEAALO O=C(C[NH+]1CCN(c2nc3ccccc3s2)CC1)N1CCCC1 ZINC000012811263 462869911 /nfs/dbraw/zinc/86/99/11/462869911.db2.gz HYAXFEJBICYKDC-UHFFFAOYSA-N 1 2 330.457 2.041 50 0 EEAALO Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049026412 462949723 /nfs/dbraw/zinc/94/97/23/462949723.db2.gz PYNODOFDVXUFSO-UHFFFAOYSA-N 1 2 347.422 2.445 50 0 EEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(c2ccc(Cl)cn2)CC1 ZINC000077541384 463003105 /nfs/dbraw/zinc/00/31/05/463003105.db2.gz DNJSRMGSGYRYOM-UHFFFAOYSA-N 1 2 334.855 2.309 50 0 EEAALO CS(=O)(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907914 463058530 /nfs/dbraw/zinc/05/85/30/463058530.db2.gz AOJSMJBQYVBPEI-HNNXBMFYSA-N 1 2 336.482 2.397 50 0 EEAALO CS(=O)(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907914 463058534 /nfs/dbraw/zinc/05/85/34/463058534.db2.gz AOJSMJBQYVBPEI-HNNXBMFYSA-N 1 2 336.482 2.397 50 0 EEAALO O=C(C[NH+]1CCN(c2nccs2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000025057895 463108428 /nfs/dbraw/zinc/10/84/28/463108428.db2.gz RGGNTQOVHKGOJB-JKSUJKDBSA-N 1 2 348.516 2.446 50 0 EEAALO COc1cccc(CO[C@@H](C)C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 ZINC000032659321 463385907 /nfs/dbraw/zinc/38/59/07/463385907.db2.gz SPIABNURFHKGQL-AWEZNQCLSA-N 1 2 343.427 2.378 50 0 EEAALO CC(C)n1c[nH+]cc1CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000220423977 464117298 /nfs/dbraw/zinc/11/72/98/464117298.db2.gz PISOYFRSFROOEC-UHFFFAOYSA-N 1 2 342.443 2.187 50 0 EEAALO Cc1ccc2[nH]c(CCNC(=O)COC[C@@H]3CCCCO3)[nH+]c2c1C ZINC000222261950 464128190 /nfs/dbraw/zinc/12/81/90/464128190.db2.gz HIWJTNZQLFNSBM-HNNXBMFYSA-N 1 2 345.443 2.424 50 0 EEAALO C[N@H+](CC(=O)NCc1nc(C(C)(C)C)no1)Cc1ccccc1F ZINC000244811452 464463923 /nfs/dbraw/zinc/46/39/23/464463923.db2.gz SCWSLQWCHKEVAD-UHFFFAOYSA-N 1 2 334.395 2.254 50 0 EEAALO C[N@@H+](CC(=O)NCc1nc(C(C)(C)C)no1)Cc1ccccc1F ZINC000244811452 464463924 /nfs/dbraw/zinc/46/39/24/464463924.db2.gz SCWSLQWCHKEVAD-UHFFFAOYSA-N 1 2 334.395 2.254 50 0 EEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H](Nc2cnc3ccccc3n2)C1 ZINC000252538466 464980866 /nfs/dbraw/zinc/98/08/66/464980866.db2.gz NBQPLCYJIPTGMA-JOCQHMNTSA-N 1 2 337.431 2.178 50 0 EEAALO Cc1cccc(CN2CC[N@H+](Cc3cccc(O)c3)C[C@H]2CCO)n1 ZINC000104368471 687270834 /nfs/dbraw/zinc/27/08/34/687270834.db2.gz IROFGYBELUZHNQ-LJQANCHMSA-N 1 2 341.455 2.164 50 0 EEAALO Cc1cccc(CN2CC[N@@H+](Cc3cccc(O)c3)C[C@H]2CCO)n1 ZINC000104368471 687270837 /nfs/dbraw/zinc/27/08/37/687270837.db2.gz IROFGYBELUZHNQ-LJQANCHMSA-N 1 2 341.455 2.164 50 0 EEAALO CC(C)c1cc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)nc(N)n1 ZINC001506427465 1114603896 /nfs/dbraw/zinc/60/38/96/1114603896.db2.gz JOTQCMDVKFSJKY-UHFFFAOYSA-N 1 2 341.415 2.261 50 0 EEAALO CCc1[nH+]c2cc(NC(=O)N3CC[C@H](C(=O)NC)C3)ccc2n1CC ZINC000097759410 219055824 /nfs/dbraw/zinc/05/58/24/219055824.db2.gz UGCISDYCISLUNC-LBPRGKRZSA-N 1 2 343.431 2.218 50 0 EEAALO COc1cc(OC)c(C[NH+]2CCC(O)CC2)cc1Br ZINC000003684283 210073804 /nfs/dbraw/zinc/07/38/04/210073804.db2.gz UHTYSXGVMSMMNW-UHFFFAOYSA-N 1 2 330.222 2.423 50 0 EEAALO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000067489873 215152854 /nfs/dbraw/zinc/15/28/54/215152854.db2.gz NJXCAYFBQRUTMT-HNNXBMFYSA-N 1 2 325.412 2.323 50 0 EEAALO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000067489873 215152857 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Cc1cccc(CS(=O)(=O)NC[C@H](c2cccn2C)[NH+](C)C)c1 ZINC000011897998 462840782 /nfs/dbraw/zinc/84/07/82/462840782.db2.gz FOORMUYKUKVZQD-QGZVFWFLSA-N 1 2 335.473 2.056 50 0 EEAALO O=C(C[N@@H+]1CCc2sccc2C1)NC[C@H]1COc2ccccc2O1 ZINC000012776780 462867386 /nfs/dbraw/zinc/86/73/86/462867386.db2.gz KAXXXIWFYYEJCE-AWEZNQCLSA-N 1 2 344.436 2.062 50 0 EEAALO O=C(C[N@H+]1CCc2sccc2C1)NC[C@H]1COc2ccccc2O1 ZINC000012776780 462867391 /nfs/dbraw/zinc/86/73/91/462867391.db2.gz KAXXXIWFYYEJCE-AWEZNQCLSA-N 1 2 344.436 2.062 50 0 EEAALO Oc1ccccc1N1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000012823830 462871147 /nfs/dbraw/zinc/87/11/47/462871147.db2.gz NRZREUAEYQWELK-UHFFFAOYSA-N 1 2 326.356 2.357 50 0 EEAALO CCOC(=O)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091643752 462895944 /nfs/dbraw/zinc/89/59/44/462895944.db2.gz HHTPLEMTKDJRRZ-UHFFFAOYSA-N 1 2 344.419 2.194 50 0 EEAALO Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)c2nncn2n1 ZINC000016624069 462985018 /nfs/dbraw/zinc/98/50/18/462985018.db2.gz WXHCVLYVNICAMW-UHFFFAOYSA-N 1 2 342.834 2.408 50 0 EEAALO CCCCCCn1c(O)c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=O ZINC000017181125 462997276 /nfs/dbraw/zinc/99/72/76/462997276.db2.gz ZQZDLLYVZGERKI-INIZCTEOSA-N 1 2 343.427 2.058 50 0 EEAALO CCCCCCn1c(=O)[nH]c(O)c([C@H]2[NH2+]CCc3ccccc32)c1=O ZINC000017181125 462997281 /nfs/dbraw/zinc/99/72/81/462997281.db2.gz ZQZDLLYVZGERKI-INIZCTEOSA-N 1 2 343.427 2.058 50 0 EEAALO C[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048676 463004046 /nfs/dbraw/zinc/00/40/46/463004046.db2.gz DWARMIYJLNJHKC-CYBMUJFWSA-N 1 2 338.367 2.073 50 0 EEAALO Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@@H+](C2CCCC2)C3)cc1C ZINC000020572532 463028952 /nfs/dbraw/zinc/02/89/52/463028952.db2.gz HLSWGLJGMUIQMX-UHFFFAOYSA-N 1 2 340.427 2.270 50 0 EEAALO Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@H+](C2CCCC2)C3)cc1C ZINC000020572532 463028955 /nfs/dbraw/zinc/02/89/55/463028955.db2.gz HLSWGLJGMUIQMX-UHFFFAOYSA-N 1 2 340.427 2.270 50 0 EEAALO O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050836 463077040 /nfs/dbraw/zinc/07/70/40/463077040.db2.gz ZXWLFMSUDVTSLL-UHFFFAOYSA-N 1 2 349.394 2.356 50 0 EEAALO Cc1cc(N2CCN(C(=O)c3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000024218776 463080542 /nfs/dbraw/zinc/08/05/42/463080542.db2.gz OBOBLPDZPBWQRM-UHFFFAOYSA-N 1 2 325.416 2.266 50 0 EEAALO O=c1cc(CO)oc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC000024528789 463089634 /nfs/dbraw/zinc/08/96/34/463089634.db2.gz RHVVIPVOQVRDRG-UHFFFAOYSA-N 1 2 331.343 2.266 50 0 EEAALO O=c1cc(CO)oc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC000024528789 463089640 /nfs/dbraw/zinc/08/96/40/463089640.db2.gz RHVVIPVOQVRDRG-UHFFFAOYSA-N 1 2 331.343 2.266 50 0 EEAALO Cc1ccccc1[C@H](C(=O)N1CCC(c2nnc[nH]2)CC1)[NH+](C)C ZINC000095525542 463103651 /nfs/dbraw/zinc/10/36/51/463103651.db2.gz JMOVFLCPGFHCQD-MRXNPFEDSA-N 1 2 327.432 2.122 50 0 EEAALO Cc1ccccc1[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)[NH+](C)C ZINC000095525542 463103657 /nfs/dbraw/zinc/10/36/57/463103657.db2.gz JMOVFLCPGFHCQD-MRXNPFEDSA-N 1 2 327.432 2.122 50 0 EEAALO C[NH+]1CCN(C(=O)CSc2nnc(Nc3ccccc3)s2)CC1 ZINC000025686227 463134541 /nfs/dbraw/zinc/13/45/41/463134541.db2.gz LJLXIPIYPQURMA-UHFFFAOYSA-N 1 2 349.485 2.148 50 0 EEAALO Cc1cc(NC(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)no1 ZINC000031097155 463324964 /nfs/dbraw/zinc/32/49/64/463324964.db2.gz YGYCLNCUXIXOPP-MRXNPFEDSA-N 1 2 344.415 2.486 50 0 EEAALO C[C@@H](C(=O)N1CCNC1=O)[N@H+](C)Cc1ccccc1Br ZINC000032753334 463392800 /nfs/dbraw/zinc/39/28/00/463392800.db2.gz DEADNYLLQJGQHH-JTQLQIEISA-N 1 2 340.221 2.026 50 0 EEAALO C[C@@H](C(=O)N1CCNC1=O)[N@@H+](C)Cc1ccccc1Br ZINC000032753334 463392805 /nfs/dbraw/zinc/39/28/05/463392805.db2.gz DEADNYLLQJGQHH-JTQLQIEISA-N 1 2 340.221 2.026 50 0 EEAALO CC1(C)CC2(CCO1)N1CC3(C)C[N@@H+]2CC(c2ccccc2)(C1)[C@H]3O ZINC000072332952 463509657 /nfs/dbraw/zinc/50/96/57/463509657.db2.gz CWBHHARDSYXJIL-IIDKWZDJSA-N 1 2 342.483 2.222 50 0 biogenic EEAALO CC1(C)CC2(CCO1)N1CC3(C)C[N@H+]2CC(c2ccccc2)(C1)[C@H]3O ZINC000072332952 463509665 /nfs/dbraw/zinc/50/96/65/463509665.db2.gz CWBHHARDSYXJIL-IIDKWZDJSA-N 1 2 342.483 2.222 50 0 biogenic EEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C2CC2)CC1 ZINC000082158154 463520292 /nfs/dbraw/zinc/52/02/92/463520292.db2.gz ZJCNNGJDRZHKJJ-UHFFFAOYSA-N 1 2 331.464 2.010 50 0 EEAALO O=C(CCC(F)(F)F)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000108106887 463590900 /nfs/dbraw/zinc/59/09/00/463590900.db2.gz KRCLNIJTEANPJH-HUUCEWRRSA-N 1 2 342.361 2.441 50 0 EEAALO O=C(CCC(F)(F)F)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000108106887 463590904 /nfs/dbraw/zinc/59/09/04/463590904.db2.gz KRCLNIJTEANPJH-HUUCEWRRSA-N 1 2 342.361 2.441 50 0 EEAALO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222199034 464127304 /nfs/dbraw/zinc/12/73/04/464127304.db2.gz SHXLEMUEQVQWGM-OLZOCXBDSA-N 1 2 331.445 2.299 50 0 EEAALO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222199034 464127307 /nfs/dbraw/zinc/12/73/07/464127307.db2.gz SHXLEMUEQVQWGM-OLZOCXBDSA-N 1 2 331.445 2.299 50 0 EEAALO CNC(=O)c1noc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)n1 ZINC000252500049 464971517 /nfs/dbraw/zinc/97/15/17/464971517.db2.gz SMKYFCGAIJDFFC-GFCCVEGCSA-N 1 2 334.445 2.478 50 0 EEAALO CNC(=O)c1noc(C[N@H+]2CCCC[C@@H]2CCc2cccs2)n1 ZINC000252500049 464971525 /nfs/dbraw/zinc/97/15/25/464971525.db2.gz SMKYFCGAIJDFFC-GFCCVEGCSA-N 1 2 334.445 2.478 50 0 EEAALO O=C(c1ccnc(Cl)c1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000585134455 468985886 /nfs/dbraw/zinc/98/58/86/468985886.db2.gz UUDLHLBGNDWBMY-NSHDSACASA-N 1 2 344.242 2.325 50 0 EEAALO C[C@H](CSc1nnnn1-c1ccccc1)[N@@H+]1CCc2nocc2C1 ZINC000670468748 485652863 /nfs/dbraw/zinc/65/28/63/485652863.db2.gz IQRKGTUNFLERFC-GFCCVEGCSA-N 1 2 342.428 2.189 50 0 EEAALO C[C@H](CSc1nnnn1-c1ccccc1)[N@H+]1CCc2nocc2C1 ZINC000670468748 485652871 /nfs/dbraw/zinc/65/28/71/485652871.db2.gz IQRKGTUNFLERFC-GFCCVEGCSA-N 1 2 342.428 2.189 50 0 EEAALO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cnc1C ZINC000828198476 800633445 /nfs/dbraw/zinc/63/34/45/800633445.db2.gz VYZBDKCEMAQCHC-OAHLLOKOSA-N 1 2 327.432 2.064 50 0 EEAALO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cnc1C ZINC000828198476 800633449 /nfs/dbraw/zinc/63/34/49/800633449.db2.gz VYZBDKCEMAQCHC-OAHLLOKOSA-N 1 2 327.432 2.064 50 0 EEAALO COc1ccc2[nH]c(CCNC(=O)Nc3nnc(C)s3)[nH+]c2c1 ZINC000055166616 214281367 /nfs/dbraw/zinc/28/13/67/214281367.db2.gz UBVAEWQPWMSCFF-UHFFFAOYSA-N 1 2 332.389 2.096 50 0 EEAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCCc1ncnn1C ZINC000055393565 214317720 /nfs/dbraw/zinc/31/77/20/214317720.db2.gz KMMLXJHSRIKKRY-CYBMUJFWSA-N 1 2 340.431 2.037 50 0 EEAALO O=C(Cc1ccccc1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921632 214395012 /nfs/dbraw/zinc/39/50/12/214395012.db2.gz YASHCQKFCTVKJB-INIZCTEOSA-N 1 2 330.453 2.168 50 0 EEAALO C[C@H](NC(=O)CCc1cn2ccccc2[nH+]1)c1cn2ncsc2n1 ZINC000065385274 214884125 /nfs/dbraw/zinc/88/41/25/214884125.db2.gz BQZLPHGQRLTFFX-NSHDSACASA-N 1 2 340.412 2.249 50 0 EEAALO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3nccn3C)cc2c1 ZINC000067742390 215200867 /nfs/dbraw/zinc/20/08/67/215200867.db2.gz UKJIRWYFGGLYSU-UHFFFAOYSA-N 1 2 326.400 2.292 50 0 EEAALO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3nccn3C)cc2c1 ZINC000067742390 215200871 /nfs/dbraw/zinc/20/08/71/215200871.db2.gz UKJIRWYFGGLYSU-UHFFFAOYSA-N 1 2 326.400 2.292 50 0 EEAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000067982295 215267005 /nfs/dbraw/zinc/26/70/05/215267005.db2.gz MRWUGDQBECQXBA-INIZCTEOSA-N 1 2 343.427 2.294 50 0 EEAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000067982295 215267009 /nfs/dbraw/zinc/26/70/09/215267009.db2.gz MRWUGDQBECQXBA-INIZCTEOSA-N 1 2 343.427 2.294 50 0 EEAALO CCC[N@H+](C)CC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)NC(=O)N1 ZINC000051318447 283057794 /nfs/dbraw/zinc/05/77/94/283057794.db2.gz XKRBQUXYJFBEBU-INIZCTEOSA-N 1 2 331.416 2.118 50 0 EEAALO CCC[N@@H+](C)CC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)NC(=O)N1 ZINC000051318447 283057795 /nfs/dbraw/zinc/05/77/95/283057795.db2.gz XKRBQUXYJFBEBU-INIZCTEOSA-N 1 2 331.416 2.118 50 0 EEAALO CNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035335123 283355962 /nfs/dbraw/zinc/35/59/62/283355962.db2.gz HJDNCQJQXOTOJE-INIZCTEOSA-N 1 2 329.425 2.151 50 0 EEAALO CNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035335123 283355963 /nfs/dbraw/zinc/35/59/63/283355963.db2.gz HJDNCQJQXOTOJE-INIZCTEOSA-N 1 2 329.425 2.151 50 0 EEAALO CCC(CC)N(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1 ZINC000072154236 216043478 /nfs/dbraw/zinc/04/34/78/216043478.db2.gz VAJQIXKQAOWKNC-GOSISDBHSA-N 1 2 345.487 2.333 50 0 EEAALO CCC(CC)N(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1 ZINC000072154236 216043479 /nfs/dbraw/zinc/04/34/79/216043479.db2.gz VAJQIXKQAOWKNC-GOSISDBHSA-N 1 2 345.487 2.333 50 0 EEAALO c1cc(C[NH+]2CCN(Cc3nc(C4CC4)no3)CC2)cc2c1OCC2 ZINC000029431629 212665937 /nfs/dbraw/zinc/66/59/37/212665937.db2.gz DVBHQBZXFNFJPO-UHFFFAOYSA-N 1 2 340.427 2.200 50 0 EEAALO C[N@@H+](Cc1cccc(F)c1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000023701400 212391285 /nfs/dbraw/zinc/39/12/85/212391285.db2.gz IWTYUXYPGIJHDR-QGZVFWFLSA-N 1 2 341.386 2.378 50 0 EEAALO C[N@H+](Cc1cccc(F)c1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000023701400 212391290 /nfs/dbraw/zinc/39/12/90/212391290.db2.gz IWTYUXYPGIJHDR-QGZVFWFLSA-N 1 2 341.386 2.378 50 0 EEAALO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccco3)CC2)[C@@H]1C ZINC000023467122 212378283 /nfs/dbraw/zinc/37/82/83/212378283.db2.gz KAURPNRTQCPFMI-NUJGCVRESA-N 1 2 333.476 2.338 50 0 EEAALO C[C@H](C(=O)NC1CCCCCC1)[NH+]1CCN(c2nccs2)CC1 ZINC000022243071 212284728 /nfs/dbraw/zinc/28/47/28/212284728.db2.gz BFFOZJIMFLWZAC-CQSZACIVSA-N 1 2 336.505 2.493 50 0 EEAALO O=C(NC1CCOCC1)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000426492941 241298540 /nfs/dbraw/zinc/29/85/40/241298540.db2.gz PIKCGZLIHDWTNW-UHFFFAOYSA-N 1 2 343.431 2.059 50 0 EEAALO O=C1CS[C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCOCC1 ZINC000019799357 212070142 /nfs/dbraw/zinc/07/01/42/212070142.db2.gz CTKUAADPFGHTOR-HNNXBMFYSA-N 1 2 326.849 2.246 50 0 EEAALO Cc1nc(C)c(C[N@@H+]2C[C@H]3OC(=O)N(C4CCCC4)[C@H]3C2)nc1C ZINC000019633692 212052644 /nfs/dbraw/zinc/05/26/44/212052644.db2.gz CCVPGNNTSCFITM-DLBZAZTESA-N 1 2 330.432 2.349 50 0 EEAALO Cc1nc(C)c(C[N@H+]2C[C@H]3OC(=O)N(C4CCCC4)[C@H]3C2)nc1C ZINC000019633692 212052646 /nfs/dbraw/zinc/05/26/46/212052646.db2.gz CCVPGNNTSCFITM-DLBZAZTESA-N 1 2 330.432 2.349 50 0 EEAALO CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000016650025 211924861 /nfs/dbraw/zinc/92/48/61/211924861.db2.gz MKECJEZJRPSPEX-UHFFFAOYSA-N 1 2 346.880 2.373 50 0 EEAALO Cc1cc(C)c(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)c[nH+]1 ZINC000091663991 218043144 /nfs/dbraw/zinc/04/31/44/218043144.db2.gz SQPXICQJBOOKIF-OAHLLOKOSA-N 1 2 329.444 2.496 50 0 EEAALO O=C(c1cnc(-c2ccncc2)nc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000095363588 218297413 /nfs/dbraw/zinc/29/74/13/218297413.db2.gz OEGLWWKZKFENAZ-UHFFFAOYSA-N 1 2 349.394 2.090 50 0 EEAALO Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095384285 218316443 /nfs/dbraw/zinc/31/64/43/218316443.db2.gz UUCNYQPZCFRDOO-DZGCQCFKSA-N 1 2 346.456 2.485 50 0 EEAALO Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095384285 218316447 /nfs/dbraw/zinc/31/64/47/218316447.db2.gz UUCNYQPZCFRDOO-DZGCQCFKSA-N 1 2 346.456 2.485 50 0 EEAALO COc1ccc2[nH]c(CCN(C)c3ncnc4onc(C)c43)[nH+]c2c1 ZINC000095385047 218316872 /nfs/dbraw/zinc/31/68/72/218316872.db2.gz CDEQWWWZQCZHAV-UHFFFAOYSA-N 1 2 338.371 2.490 50 0 EEAALO COc1cc(OC)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C(=O)[O-])c1 ZINC000097631975 295005786 /nfs/dbraw/zinc/00/57/86/295005786.db2.gz CLSULVSAIPNZJM-ZDUSSCGKSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C(=O)[O-])c1 ZINC000097631975 295005789 /nfs/dbraw/zinc/00/57/89/295005789.db2.gz CLSULVSAIPNZJM-ZDUSSCGKSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C(=O)[O-])c1 ZINC000097631975 295005791 /nfs/dbraw/zinc/00/57/91/295005791.db2.gz CLSULVSAIPNZJM-ZDUSSCGKSA-N 1 2 336.432 2.176 50 0 EEAALO COc1cc(OC)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C(=O)[O-])c1 ZINC000097631975 295005793 /nfs/dbraw/zinc/00/57/93/295005793.db2.gz CLSULVSAIPNZJM-ZDUSSCGKSA-N 1 2 336.432 2.176 50 0 EEAALO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012486066 303061950 /nfs/dbraw/zinc/06/19/50/303061950.db2.gz SDDRGFOWDZWSRR-CQSZACIVSA-N 1 2 337.383 2.476 50 0 EEAALO Cc1c[nH]c([C@@H](C)NC(=O)COCc2nc3cc(F)ccc3[nH]2)[nH+]1 ZINC000534673087 468273777 /nfs/dbraw/zinc/27/37/77/468273777.db2.gz DKNSLFYIXZIRHR-SNVBAGLBSA-N 1 2 331.351 2.128 50 0 EEAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cncc(Br)c1 ZINC000012666383 462861955 /nfs/dbraw/zinc/86/19/55/462861955.db2.gz UMRHVOMISATLCL-UHFFFAOYSA-N 1 2 345.200 2.464 50 0 EEAALO COc1ccc(OCC[N@H+](C)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000014241301 462921940 /nfs/dbraw/zinc/92/19/40/462921940.db2.gz IBHCXCWMFBEKIY-UHFFFAOYSA-N 1 2 340.379 2.260 50 0 EEAALO COc1ccc(OCC[N@@H+](C)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000014241301 462921950 /nfs/dbraw/zinc/92/19/50/462921950.db2.gz IBHCXCWMFBEKIY-UHFFFAOYSA-N 1 2 340.379 2.260 50 0 EEAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC1 ZINC000077380182 462977568 /nfs/dbraw/zinc/97/75/68/462977568.db2.gz LPXJYBLGHVPULK-UHFFFAOYSA-N 1 2 343.427 2.419 50 0 EEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCCc2cccs2)C1 ZINC000077472177 462990774 /nfs/dbraw/zinc/99/07/74/462990774.db2.gz HTDCBTJSEPPRMI-UHFFFAOYSA-N 1 2 345.472 2.163 50 0 EEAALO O=C(c1cc2ccccc2oc1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018137717 463006866 /nfs/dbraw/zinc/00/68/66/463006866.db2.gz NFTZWFHLTIYHDJ-UHFFFAOYSA-N 1 2 335.363 2.150 50 0 EEAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000022892627 463056803 /nfs/dbraw/zinc/05/68/03/463056803.db2.gz LTFFMSNCZWIZOH-UHFFFAOYSA-N 1 2 349.456 2.106 50 0 EEAALO O=C(c1ccc(F)c(F)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000026444725 463162454 /nfs/dbraw/zinc/16/24/54/463162454.db2.gz RVWLUIJYIAOQCR-SFHVURJKSA-N 1 2 346.377 2.456 50 0 EEAALO COCCn1cc(CCC(=O)NCCc2c[nH+]c[nH]2)c2ccccc21 ZINC000079191494 463195989 /nfs/dbraw/zinc/19/59/89/463195989.db2.gz CEAGEMZYAOYPBR-UHFFFAOYSA-N 1 2 340.427 2.302 50 0 biogenic EEAALO COCCn1cc(CCC(=O)NCCc2c[nH]c[nH+]2)c2ccccc21 ZINC000079191494 463195995 /nfs/dbraw/zinc/19/59/95/463195995.db2.gz CEAGEMZYAOYPBR-UHFFFAOYSA-N 1 2 340.427 2.302 50 0 biogenic EEAALO COc1ccc([C@H](Nc2nccc(OC)n2)c2[nH+]ccn2C)cc1 ZINC000028620671 463228723 /nfs/dbraw/zinc/22/87/23/463228723.db2.gz KJQGKYGEYOJMRN-HNNXBMFYSA-N 1 2 325.372 2.429 50 0 EEAALO C[N@H+](CCC(=O)NC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845461 463234520 /nfs/dbraw/zinc/23/45/20/463234520.db2.gz JTDHWSJDFGNPSR-UHFFFAOYSA-N 1 2 342.443 2.194 50 0 EEAALO C[N@@H+](CCC(=O)NC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845461 463234526 /nfs/dbraw/zinc/23/45/26/463234526.db2.gz JTDHWSJDFGNPSR-UHFFFAOYSA-N 1 2 342.443 2.194 50 0 EEAALO c1cc(C2CCCC2)nc(N2CCCO[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000071747609 463420724 /nfs/dbraw/zinc/42/07/24/463420724.db2.gz CBZQVPKLFVVRIY-QGZVFWFLSA-N 1 2 346.475 2.062 50 0 EEAALO CS(=O)(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000105351161 463452028 /nfs/dbraw/zinc/45/20/28/463452028.db2.gz PWOJOMAYIZUTBO-UHFFFAOYSA-N 1 2 348.428 2.156 50 0 EEAALO Cn1ncc2c1nc(NC1CCCCCC1)[nH+]c2N1CCOCC1 ZINC000072238765 463485124 /nfs/dbraw/zinc/48/51/24/463485124.db2.gz ZEGPKXAYFFYMMN-UHFFFAOYSA-N 1 2 330.436 2.335 50 0 EEAALO CCC[C@@H]1C[N@H+](Cc2csc(C(C)=O)c2)C[C@H]1NS(C)(=O)=O ZINC000082114742 463515875 /nfs/dbraw/zinc/51/58/75/463515875.db2.gz CRRXRVDEIUWXNB-ZIAGYGMSSA-N 1 2 344.502 2.100 50 0 EEAALO CCC[C@@H]1C[N@@H+](Cc2csc(C(C)=O)c2)C[C@H]1NS(C)(=O)=O ZINC000082114742 463515882 /nfs/dbraw/zinc/51/58/82/463515882.db2.gz CRRXRVDEIUWXNB-ZIAGYGMSSA-N 1 2 344.502 2.100 50 0 EEAALO C[C@H](CNC(=O)N(C)CCc1cccs1)[N@@H+]1CCOC[C@@H]1C ZINC000107063628 463557436 /nfs/dbraw/zinc/55/74/36/463557436.db2.gz NDHFQSJBQXPZRH-KGLIPLIRSA-N 1 2 325.478 2.041 50 0 EEAALO C[C@H](CNC(=O)N(C)CCc1cccs1)[N@H+]1CCOC[C@@H]1C ZINC000107063628 463557440 /nfs/dbraw/zinc/55/74/40/463557440.db2.gz NDHFQSJBQXPZRH-KGLIPLIRSA-N 1 2 325.478 2.041 50 0 EEAALO C[N@@H+]1CCO[C@H](C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)C1 ZINC000108391215 463603454 /nfs/dbraw/zinc/60/34/54/463603454.db2.gz PTJYBKSAGSILOJ-CMPLNLGQSA-N 1 2 338.276 2.015 50 0 EEAALO C[N@H+]1CCO[C@H](C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)C1 ZINC000108391215 463603460 /nfs/dbraw/zinc/60/34/60/463603460.db2.gz PTJYBKSAGSILOJ-CMPLNLGQSA-N 1 2 338.276 2.015 50 0 EEAALO C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccccc1Cl ZINC000044225459 463670704 /nfs/dbraw/zinc/67/07/04/463670704.db2.gz GHZBADKLCIEHDZ-OAHLLOKOSA-N 1 2 337.851 2.118 50 0 EEAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)c1ccc(SCCO)cc1 ZINC000220412507 464117286 /nfs/dbraw/zinc/11/72/86/464117286.db2.gz VOYUQNNWOMWOQY-UHFFFAOYSA-N 1 2 331.441 2.178 50 0 EEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](Oc2cccnn2)C1 ZINC000225409093 464158393 /nfs/dbraw/zinc/15/83/93/464158393.db2.gz GGMSGNDPGUCXLW-KRWDZBQOSA-N 1 2 349.394 2.015 50 0 EEAALO Cc1cc(N)n(CC(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)n1 ZINC000252491986 464966893 /nfs/dbraw/zinc/96/68/93/464966893.db2.gz MASCIJQWDXEIBR-UHFFFAOYSA-N 1 2 340.431 2.016 50 0 EEAALO Cc1noc(C)c1CC(=O)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253402733 465002341 /nfs/dbraw/zinc/00/23/41/465002341.db2.gz OPSBZLTUKNFUFJ-MRXNPFEDSA-N 1 2 349.456 2.333 50 0 EEAALO Cc1n[nH]c(C)c1CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534584513 468265005 /nfs/dbraw/zinc/26/50/05/468265005.db2.gz CJQLLNUOFFOLQK-CQSZACIVSA-N 1 2 330.436 2.271 50 0 EEAALO CNc1ccc(Cl)cc1C(=O)N(C)C[C@@H](C)[NH+]1CCOCC1 ZINC000584890135 468956444 /nfs/dbraw/zinc/95/64/44/468956444.db2.gz BPDOHXGTEUPXCX-GFCCVEGCSA-N 1 2 325.840 2.174 50 0 EEAALO CCOC(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3Cl)CC2)C1 ZINC000584893375 468957524 /nfs/dbraw/zinc/95/75/24/468957524.db2.gz NCOWOQINOHBCLE-ZDUSSCGKSA-N 1 2 338.839 2.088 50 0 EEAALO CC(C)Cc1noc(CN(C)C(=O)NCc2c[nH+]cn2C2CC2)n1 ZINC000670439645 485642252 /nfs/dbraw/zinc/64/22/52/485642252.db2.gz DITXOQCLTJITMM-UHFFFAOYSA-N 1 2 332.408 2.141 50 0 EEAALO COc1cccc2ccc(C[NH+]3CCN(c4cnccn4)CC3)nc21 ZINC000020868660 1229627221 /nfs/dbraw/zinc/62/72/21/1229627221.db2.gz WZQKCPTWKWEAIE-UHFFFAOYSA-N 1 2 335.411 2.356 50 0 EEAALO CC[C@]12C[C@H]1CN(C(=O)C[NH+]1CCN(c3cccc(C)c3)CC1)C2 ZINC001772816442 1410373024 /nfs/dbraw/zinc/37/30/24/1410373024.db2.gz QVAWLYQUNAUFQS-FXAWDEMLSA-N 1 2 327.472 2.376 50 0 EEAALO [NH3+]Cc1nc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)co1 ZINC000952979113 796125991 /nfs/dbraw/zinc/12/59/91/796125991.db2.gz TWIGOZBKNJQOHC-CQSZACIVSA-N 1 2 331.372 2.334 50 0 EEAALO Cc1cccc(-c2ncc(C[N@@H+](C)C3CCS(=O)(=O)CC3)cn2)c1 ZINC000823667783 798756035 /nfs/dbraw/zinc/75/60/35/798756035.db2.gz RHLUWFYYTRPZIJ-UHFFFAOYSA-N 1 2 345.468 2.461 50 0 EEAALO Cc1cccc(-c2ncc(C[N@H+](C)C3CCS(=O)(=O)CC3)cn2)c1 ZINC000823667783 798756039 /nfs/dbraw/zinc/75/60/39/798756039.db2.gz RHLUWFYYTRPZIJ-UHFFFAOYSA-N 1 2 345.468 2.461 50 0 EEAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnc(C2CC2)[nH]c1=O ZINC000828198132 800633654 /nfs/dbraw/zinc/63/36/54/800633654.db2.gz QFNGYMRJDRLEJV-ZDUSSCGKSA-N 1 2 329.404 2.101 50 0 EEAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCCO)Cc1ccncc1 ZINC000097742813 219052914 /nfs/dbraw/zinc/05/29/14/219052914.db2.gz RGRACEHBNDADPL-UHFFFAOYSA-N 1 2 336.395 2.292 50 0 EEAALO O=C(c1cccc2ccccc21)N1CC[NH+](CCn2cccn2)CC1 ZINC000049983298 214038558 /nfs/dbraw/zinc/03/85/58/214038558.db2.gz PLKBVPPHSALCJG-UHFFFAOYSA-N 1 2 334.423 2.494 50 0 EEAALO CCCn1c2ccccc2c(O)c(C(=O)NCC[NH+](CC)CC)c1=O ZINC000100621170 219103055 /nfs/dbraw/zinc/10/30/55/219103055.db2.gz ZFSXKJXMPHQRKA-UHFFFAOYSA-N 1 2 345.443 2.189 50 0 biogenic EEAALO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC(=O)NC(C)(C)C ZINC000026883879 282355997 /nfs/dbraw/zinc/35/59/97/282355997.db2.gz CUCSBBVTHBPQGR-INIZCTEOSA-N 1 2 331.460 2.027 50 0 EEAALO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC(=O)NC(C)(C)C ZINC000026883879 282355999 /nfs/dbraw/zinc/35/59/99/282355999.db2.gz CUCSBBVTHBPQGR-INIZCTEOSA-N 1 2 331.460 2.027 50 0 EEAALO COC(=O)N1C[C@H]2[C@H](C[N@H+](C)Cc3noc(-c4ccccc4)n3)[C@H]2C1 ZINC000102671266 219221635 /nfs/dbraw/zinc/22/16/35/219221635.db2.gz QXBNHHVGRXQSMQ-QKDCVEJESA-N 1 2 342.399 2.113 50 0 EEAALO COC(=O)N1C[C@H]2[C@H](C[N@@H+](C)Cc3noc(-c4ccccc4)n3)[C@H]2C1 ZINC000102671266 219221638 /nfs/dbraw/zinc/22/16/38/219221638.db2.gz QXBNHHVGRXQSMQ-QKDCVEJESA-N 1 2 342.399 2.113 50 0 EEAALO c1coc(-c2noc(CN3CCCC[C@@H]3CC[NH+]3CCOCC3)n2)c1 ZINC000072150080 216038235 /nfs/dbraw/zinc/03/82/35/216038235.db2.gz VUGWENHEZFIZFJ-OAHLLOKOSA-N 1 2 346.431 2.406 50 0 EEAALO CCOc1ccc(NC(=O)CC(=O)N2CCCn3c[nH+]cc3C2)cc1 ZINC000072161809 216050273 /nfs/dbraw/zinc/05/02/73/216050273.db2.gz MWEXBWOMIATDEK-UHFFFAOYSA-N 1 2 342.399 2.043 50 0 EEAALO O=C(CCc1cc(=O)[nH]o1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072407614 216198633 /nfs/dbraw/zinc/19/86/33/216198633.db2.gz PWAXQCIRQXOAHI-UHFFFAOYSA-N 1 2 347.390 2.186 50 0 EEAALO O=C(CCc1cc(=O)[nH]o1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072407614 216198636 /nfs/dbraw/zinc/19/86/36/216198636.db2.gz PWAXQCIRQXOAHI-UHFFFAOYSA-N 1 2 347.390 2.186 50 0 EEAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1F ZINC000072446770 216236123 /nfs/dbraw/zinc/23/61/23/216236123.db2.gz OWFBXGZCESPQFV-UHFFFAOYSA-N 1 2 329.379 2.058 50 0 EEAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1F ZINC000072446770 216236127 /nfs/dbraw/zinc/23/61/27/216236127.db2.gz OWFBXGZCESPQFV-UHFFFAOYSA-N 1 2 329.379 2.058 50 0 EEAALO CCn1ncnc1C[N@@H+]1CCN(c2cccc(OC)c2)C(C)(C)C1 ZINC000216311969 241183303 /nfs/dbraw/zinc/18/33/03/241183303.db2.gz NEOJMCXDPKCXIX-UHFFFAOYSA-N 1 2 329.448 2.407 50 0 EEAALO CCn1ncnc1C[N@H+]1CCN(c2cccc(OC)c2)C(C)(C)C1 ZINC000216311969 241183306 /nfs/dbraw/zinc/18/33/06/241183306.db2.gz NEOJMCXDPKCXIX-UHFFFAOYSA-N 1 2 329.448 2.407 50 0 EEAALO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000215511249 241129497 /nfs/dbraw/zinc/12/94/97/241129497.db2.gz MPDQRVFGWZUYKV-INIZCTEOSA-N 1 2 333.457 2.350 50 0 EEAALO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000215511249 241129500 /nfs/dbraw/zinc/12/95/00/241129500.db2.gz MPDQRVFGWZUYKV-INIZCTEOSA-N 1 2 333.457 2.350 50 0 EEAALO Cc1cc(C)nc(CCNC(=O)c2ccc(-c3c[nH+]cn3C)cc2)n1 ZINC000426372298 241267214 /nfs/dbraw/zinc/26/72/14/241267214.db2.gz RDQOYARPXOIIBY-UHFFFAOYSA-N 1 2 335.411 2.466 50 0 EEAALO O=C(NCCCc1ccccn1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000426436743 241284676 /nfs/dbraw/zinc/28/46/76/241284676.db2.gz RNBVLBGOYLDIDC-MRXNPFEDSA-N 1 2 327.432 2.333 50 0 EEAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1COC(=O)N1 ZINC000426624743 241318389 /nfs/dbraw/zinc/31/83/89/241318389.db2.gz HABWXJJHPXNEQN-QOZQQMKHSA-N 1 2 342.399 2.061 50 0 EEAALO CN(Cc1nnc(-c2ccccc2)o1)C(=O)C1(Cn2cc[nH+]c2)CC1 ZINC000221365239 241467048 /nfs/dbraw/zinc/46/70/48/241467048.db2.gz UCTOAVXQGJBIMM-UHFFFAOYSA-N 1 2 337.383 2.372 50 0 EEAALO CCSc1nnc(NC(=O)C[N@H+](C)Cc2cccc(O)c2)s1 ZINC000244690988 243057649 /nfs/dbraw/zinc/05/76/49/243057649.db2.gz JAORKZWMMIVRSV-UHFFFAOYSA-N 1 2 338.458 2.426 50 0 EEAALO CCSc1nnc(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)s1 ZINC000244690988 243057653 /nfs/dbraw/zinc/05/76/53/243057653.db2.gz JAORKZWMMIVRSV-UHFFFAOYSA-N 1 2 338.458 2.426 50 0 EEAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1nccs1 ZINC000020508752 212140954 /nfs/dbraw/zinc/14/09/54/212140954.db2.gz SHRPIKWCPFPXCR-QPJJXVBHSA-N 1 2 342.468 2.413 50 0 EEAALO Cc1c[nH]c(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1=O ZINC000253536648 244014212 /nfs/dbraw/zinc/01/42/12/244014212.db2.gz JJALBCVIVWZCRE-UHFFFAOYSA-N 1 2 325.412 2.362 50 0 EEAALO Cc1noc(C)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000019924750 212084746 /nfs/dbraw/zinc/08/47/46/212084746.db2.gz AZKSEEGUUKEQES-UHFFFAOYSA-N 1 2 329.400 2.128 50 0 EEAALO CCN1CC[NH+](C2(C(=O)NC3CCCC3)Cc3ccccc3C2)CC1 ZINC000019642243 212052685 /nfs/dbraw/zinc/05/26/85/212052685.db2.gz ZATGUWSMUAGHFH-UHFFFAOYSA-N 1 2 341.499 2.220 50 0 EEAALO CCOC(=O)[C@@H]1CCCC12N1CC3(CC)C[NH+]2CC(CC)(C1)C3=O ZINC000019331473 212016745 /nfs/dbraw/zinc/01/67/45/212016745.db2.gz QOLACMJGMSLIRG-ZWNCQPIPSA-N 1 2 334.460 2.053 50 0 biogenic EEAALO O=C(NCc1csc(-c2ncccn2)n1)c1ccc2[nH+]ccn2c1 ZINC000091441756 218006751 /nfs/dbraw/zinc/00/67/51/218006751.db2.gz ZHJOBHPMGRNWNC-UHFFFAOYSA-N 1 2 336.380 2.178 50 0 EEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000091664558 218043191 /nfs/dbraw/zinc/04/31/91/218043191.db2.gz HQFABSZUQTXJII-QGZVFWFLSA-N 1 2 342.443 2.263 50 0 EEAALO O=C(Cn1ccc2ccccc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000091830732 218072598 /nfs/dbraw/zinc/07/25/98/218072598.db2.gz SNJXINBESPYRDE-SFHVURJKSA-N 1 2 341.455 2.355 50 0 EEAALO CN(C)C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872270 211128602 /nfs/dbraw/zinc/12/86/02/211128602.db2.gz TYHQIOCVMWYBSY-UHFFFAOYSA-N 1 2 345.472 2.043 50 0 EEAALO COCC[NH+]1CCN(C(=O)c2cccc(-c3ccncc3F)c2)CC1 ZINC000299780507 258089579 /nfs/dbraw/zinc/08/95/79/258089579.db2.gz BKGVEFORJWYQCJ-UHFFFAOYSA-N 1 2 343.402 2.292 50 0 EEAALO O=C(CN1CCCCCC1=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000299792015 258097559 /nfs/dbraw/zinc/09/75/59/258097559.db2.gz FDJKYDGCYUVMGP-INIZCTEOSA-N 1 2 332.448 2.057 50 0 EEAALO Cc1nc(NCc2nc(C(F)(F)F)n[nH]2)cc([C@H]2CCOC2)[nH+]1 ZINC000299758894 258076883 /nfs/dbraw/zinc/07/68/83/258076883.db2.gz FEVWBUHSPOHRNC-QMMMGPOBSA-N 1 2 328.298 2.038 50 0 EEAALO O=C(Cc1cccs1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056997421 132198160 /nfs/dbraw/zinc/19/81/60/132198160.db2.gz BOHRVJSBQUOVMB-UHFFFAOYSA-N 1 2 347.459 2.368 50 0 EEAALO O=C(NCc1ccccc1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000085466946 462549315 /nfs/dbraw/zinc/54/93/15/462549315.db2.gz OVBGHRJLMWEQQP-MRXNPFEDSA-N 1 2 345.468 2.309 50 0 EEAALO C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012380489 462851518 /nfs/dbraw/zinc/85/15/18/462851518.db2.gz RHWDNJRYIGDDJB-ZDUSSCGKSA-N 1 2 347.365 2.476 50 0 EEAALO COc1cccc(N2CC[N@H+](CC[C@H](O)c3ccccc3)CC2=O)c1 ZINC000091620960 462893231 /nfs/dbraw/zinc/89/32/31/462893231.db2.gz BPXXEZNBRBVFCE-IBGZPJMESA-N 1 2 340.423 2.468 50 0 EEAALO COc1cccc(N2CC[N@@H+](CC[C@H](O)c3ccccc3)CC2=O)c1 ZINC000091620960 462893232 /nfs/dbraw/zinc/89/32/32/462893232.db2.gz BPXXEZNBRBVFCE-IBGZPJMESA-N 1 2 340.423 2.468 50 0 EEAALO CC[C@@H](C(=O)Nc1nnc(C)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013941857 462906428 /nfs/dbraw/zinc/90/64/28/462906428.db2.gz VRCQQXZOAUIEQR-HNNXBMFYSA-N 1 2 345.472 2.386 50 0 EEAALO COc1ccc(N2CC[N@H+](CCc3ccccn3)[C@H](C)C2=O)cc1 ZINC000077387289 462976936 /nfs/dbraw/zinc/97/69/36/462976936.db2.gz OITLIRYTQSKMMV-OAHLLOKOSA-N 1 2 325.412 2.370 50 0 EEAALO COc1ccc(N2CC[N@@H+](CCc3ccccn3)[C@H](C)C2=O)cc1 ZINC000077387289 462976944 /nfs/dbraw/zinc/97/69/44/462976944.db2.gz OITLIRYTQSKMMV-OAHLLOKOSA-N 1 2 325.412 2.370 50 0 EEAALO COC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000067286611 462987932 /nfs/dbraw/zinc/98/79/32/462987932.db2.gz XZALECGRURZWOU-QGZVFWFLSA-N 1 2 343.427 2.200 50 0 EEAALO c1ccc(CCN2C[NH+]=C3NCn4c5ccccc5nc4N3C2)cc1 ZINC000020723971 463030930 /nfs/dbraw/zinc/03/09/30/463030930.db2.gz GKUDRYCTCKDUFE-UHFFFAOYSA-N 1 2 332.411 2.233 50 0 EEAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000025747607 463137321 /nfs/dbraw/zinc/13/73/21/463137321.db2.gz LDEBFBZUXAYZFD-LLVKDONJSA-N 1 2 349.818 2.352 50 0 EEAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000025747607 463137327 /nfs/dbraw/zinc/13/73/27/463137327.db2.gz LDEBFBZUXAYZFD-LLVKDONJSA-N 1 2 349.818 2.352 50 0 EEAALO Cc1ccc(/C=C/C(=O)NCc2ccc[nH+]c2N2CCOCC2)o1 ZINC000032017500 463360960 /nfs/dbraw/zinc/36/09/60/463360960.db2.gz UOLLYFIQUYJXJP-VOTSOKGWSA-N 1 2 327.384 2.149 50 0 EEAALO Cc1cc(=O)c(O)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000070666262 463377709 /nfs/dbraw/zinc/37/77/09/463377709.db2.gz MBOPGOIALZPRNR-VMPITWQZSA-N 1 2 340.423 2.485 50 0 biogenic EEAALO CC[C@@H]1C[N@H+](Cc2nccn2C)CCC(=O)N1Cc1ccccc1 ZINC000071749798 463421254 /nfs/dbraw/zinc/42/12/54/463421254.db2.gz DURVCHJMFNFACQ-QGZVFWFLSA-N 1 2 326.444 2.433 50 0 EEAALO CC[C@@H]1C[N@@H+](Cc2nccn2C)CCC(=O)N1Cc1ccccc1 ZINC000071749798 463421258 /nfs/dbraw/zinc/42/12/58/463421258.db2.gz DURVCHJMFNFACQ-QGZVFWFLSA-N 1 2 326.444 2.433 50 0 EEAALO COc1ccccc1CCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106906036 463549226 /nfs/dbraw/zinc/54/92/26/463549226.db2.gz GLADUIPFDQHPMN-INIZCTEOSA-N 1 2 342.443 2.125 50 0 EEAALO COc1ccccc1CCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106906036 463549229 /nfs/dbraw/zinc/54/92/29/463549229.db2.gz GLADUIPFDQHPMN-INIZCTEOSA-N 1 2 342.443 2.125 50 0 EEAALO C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000107057461 463557478 /nfs/dbraw/zinc/55/74/78/463557478.db2.gz MFZAVKWABGUPEV-DZVNLGKHSA-N 1 2 338.492 2.149 50 0 EEAALO CCNC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@@H]1OC ZINC000108094432 463590112 /nfs/dbraw/zinc/59/01/12/463590112.db2.gz DVUFSVVXSFDPET-UPJWGTAASA-N 1 2 338.452 2.051 50 0 EEAALO CCNC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@@H]1OC ZINC000108094432 463590118 /nfs/dbraw/zinc/59/01/18/463590118.db2.gz DVUFSVVXSFDPET-UPJWGTAASA-N 1 2 338.452 2.051 50 0 EEAALO CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1)[C@H]1CCCO1 ZINC000108475059 463605764 /nfs/dbraw/zinc/60/57/64/463605764.db2.gz ZCFQAYJTOKPMMY-SOLBZPMBSA-N 1 2 346.475 2.427 50 0 EEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000108959924 463630276 /nfs/dbraw/zinc/63/02/76/463630276.db2.gz NWIWMSSVXVLEOT-NEPJUHHUSA-N 1 2 339.823 2.337 50 0 EEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000108959924 463630279 /nfs/dbraw/zinc/63/02/79/463630279.db2.gz NWIWMSSVXVLEOT-NEPJUHHUSA-N 1 2 339.823 2.337 50 0 EEAALO O=C(c1csc(-n2cccc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044448470 463678966 /nfs/dbraw/zinc/67/89/66/463678966.db2.gz VVLPRZLKOWZFDO-UHFFFAOYSA-N 1 2 339.424 2.291 50 0 EEAALO COc1nc(C)cc(C)c1CNC(=O)CC1=CSC2=[NH+]CCCN12 ZINC000220121114 464113943 /nfs/dbraw/zinc/11/39/43/464113943.db2.gz KNUYXONPBUOBRB-UHFFFAOYSA-N 1 2 346.456 2.363 50 0 EEAALO C[C@H](O)CNc1[nH+]cnc2c1c(Br)nn2C(C)(C)C ZINC000585135111 468986128 /nfs/dbraw/zinc/98/61/28/468986128.db2.gz XZRFTMAWNPYOKS-ZETCQYMHSA-N 1 2 328.214 2.137 50 0 EEAALO CCCc1cc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)n2cccc2)on1 ZINC000670456476 485649760 /nfs/dbraw/zinc/64/97/60/485649760.db2.gz NTWKGBJKWQEQQM-INIZCTEOSA-N 1 2 327.388 2.252 50 0 EEAALO CCCc1cc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)n2cccc2)on1 ZINC000670456476 485649766 /nfs/dbraw/zinc/64/97/66/485649766.db2.gz NTWKGBJKWQEQQM-INIZCTEOSA-N 1 2 327.388 2.252 50 0 EEAALO COc1ccc2c(c1)oc(=O)n2C[NH+]1CCN(c2ccccc2)CC1 ZINC000055153104 537020599 /nfs/dbraw/zinc/02/05/99/537020599.db2.gz BDFIFVNPPNCPSK-UHFFFAOYSA-N 1 2 339.395 2.383 50 0 EEAALO CC[C@@]12C[C@@H]1CN(C(=O)C[NH+]1CCN(c3cccc(C)c3)CC1)C2 ZINC001772816445 1410373048 /nfs/dbraw/zinc/37/30/48/1410373048.db2.gz QVAWLYQUNAUFQS-XLIONFOSSA-N 1 2 327.472 2.376 50 0 EEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)CCc1[nH]nc2c1CCCC2 ZINC000952987076 796154428 /nfs/dbraw/zinc/15/44/28/796154428.db2.gz JAFIJNGOIMCYJH-UHFFFAOYSA-N 1 2 347.488 2.302 50 0 EEAALO COc1ccccc1OCc1n[nH]c(CC[C@H](C)[NH+]2CCOCC2)n1 ZINC000824827569 800293756 /nfs/dbraw/zinc/29/37/56/800293756.db2.gz KCJRNCIRJKQNOW-AWEZNQCLSA-N 1 2 346.431 2.046 50 0 EEAALO O=C(c1cnc(-c2ccncc2)nc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000097759183 219054559 /nfs/dbraw/zinc/05/45/59/219054559.db2.gz SKPKFBLUINUKOB-UHFFFAOYSA-N 1 2 334.383 2.282 50 0 EEAALO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1OC ZINC000097773249 219056824 /nfs/dbraw/zinc/05/68/24/219056824.db2.gz DKCXJXMAXFLQGT-CYBMUJFWSA-N 1 2 326.824 2.458 50 0 EEAALO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1OC ZINC000097773249 219056825 /nfs/dbraw/zinc/05/68/25/219056825.db2.gz DKCXJXMAXFLQGT-CYBMUJFWSA-N 1 2 326.824 2.458 50 0 EEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NC1CC1 ZINC000003537491 210049693 /nfs/dbraw/zinc/04/96/93/210049693.db2.gz CAYQBASSNOODOY-UHFFFAOYSA-N 1 2 325.397 2.186 50 0 EEAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067849975 215230407 /nfs/dbraw/zinc/23/04/07/215230407.db2.gz NBPRWPAKRITGCH-ZDUSSCGKSA-N 1 2 345.472 2.482 50 0 EEAALO Cc1nnsc1C[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067935208 215254619 /nfs/dbraw/zinc/25/46/19/215254619.db2.gz PJHUCWPMLPTKIW-UHFFFAOYSA-N 1 2 344.396 2.049 50 0 EEAALO Cc1nnsc1C[N@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067935208 215254621 /nfs/dbraw/zinc/25/46/21/215254621.db2.gz PJHUCWPMLPTKIW-UHFFFAOYSA-N 1 2 344.396 2.049 50 0 EEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000036023406 213056725 /nfs/dbraw/zinc/05/67/25/213056725.db2.gz KOAWZQCVYMIIAY-IBGZPJMESA-N 1 2 332.407 2.285 50 0 EEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000036023406 213056728 /nfs/dbraw/zinc/05/67/28/213056728.db2.gz KOAWZQCVYMIIAY-IBGZPJMESA-N 1 2 332.407 2.285 50 0 EEAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)c2ccccc12 ZINC000035993516 213053873 /nfs/dbraw/zinc/05/38/73/213053873.db2.gz XVMGIHDWYVPJRO-UHFFFAOYSA-N 1 2 334.441 2.175 50 0 EEAALO Cc1nn(CCO)cc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072153765 216042013 /nfs/dbraw/zinc/04/20/13/216042013.db2.gz KZKZICYBADHZOY-UHFFFAOYSA-N 1 2 348.878 2.155 50 0 EEAALO Cc1nn(CCO)cc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072153765 216042016 /nfs/dbraw/zinc/04/20/16/216042016.db2.gz KZKZICYBADHZOY-UHFFFAOYSA-N 1 2 348.878 2.155 50 0 EEAALO Cc1ccc(CN2CCn3nc(C[N@@H+]4CCCOCC4)cc3C2)o1 ZINC000072157858 216048230 /nfs/dbraw/zinc/04/82/30/216048230.db2.gz WWALIKZZYAEDLU-UHFFFAOYSA-N 1 2 330.432 2.023 50 0 EEAALO Cc1ccc(CN2CCn3nc(C[N@H+]4CCCOCC4)cc3C2)o1 ZINC000072157858 216048233 /nfs/dbraw/zinc/04/82/33/216048233.db2.gz WWALIKZZYAEDLU-UHFFFAOYSA-N 1 2 330.432 2.023 50 0 EEAALO NC(=O)COc1ccc(-c2[nH+]ccn2-c2cccnc2)cc1Cl ZINC000072169344 216060364 /nfs/dbraw/zinc/06/03/64/216060364.db2.gz QUQIOZQTBZGDSG-UHFFFAOYSA-N 1 2 328.759 2.452 50 0 EEAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4)sc2C1 ZINC000023609398 212384982 /nfs/dbraw/zinc/38/49/82/212384982.db2.gz PFYOPZBGQWTNEE-UHFFFAOYSA-N 1 2 342.424 2.268 50 0 EEAALO C[N@H+]1CCc2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4)sc2C1 ZINC000023609398 212384986 /nfs/dbraw/zinc/38/49/86/212384986.db2.gz PFYOPZBGQWTNEE-UHFFFAOYSA-N 1 2 342.424 2.268 50 0 EEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)N1CCc2sccc2C1 ZINC000022810817 212326726 /nfs/dbraw/zinc/32/67/26/212326726.db2.gz YCOGNZNGILDSNB-UHFFFAOYSA-N 1 2 345.468 2.044 50 0 EEAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc(CO)ccn1 ZINC000219224680 241370435 /nfs/dbraw/zinc/37/04/35/241370435.db2.gz LFUFIIVXYYYJIZ-UHFFFAOYSA-N 1 2 336.395 2.091 50 0 EEAALO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(Br)cc1 ZINC000019939276 212087602 /nfs/dbraw/zinc/08/76/02/212087602.db2.gz OJHDVKLBEGVLPZ-LLVKDONJSA-N 1 2 328.206 2.327 50 0 EEAALO C[C@@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccccc1Br ZINC000019878113 212078353 /nfs/dbraw/zinc/07/83/53/212078353.db2.gz JCCKKFBEBKAPBF-LBPRGKRZSA-N 1 2 341.249 2.242 50 0 EEAALO COc1ccc([C@@H](Nc2[nH+]cnc3c2cnn3C)c2nccn2C)cc1 ZINC000014279896 211730606 /nfs/dbraw/zinc/73/06/06/211730606.db2.gz HDTYKGCCDUXJOU-OAHLLOKOSA-N 1 2 349.398 2.307 50 0 EEAALO COc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000012380439 211361699 /nfs/dbraw/zinc/36/16/99/211361699.db2.gz BXZAUQXGUAFKNM-HNNXBMFYSA-N 1 2 344.411 2.400 50 0 EEAALO CCn1ccc2cc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)C3)ccc21 ZINC000299780591 258089576 /nfs/dbraw/zinc/08/95/76/258089576.db2.gz ARHPXDHQJDMUMC-SFHVURJKSA-N 1 2 340.471 2.123 50 0 EEAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)NCCSc2nncn2C)c1C ZINC000299783094 258091198 /nfs/dbraw/zinc/09/11/98/258091198.db2.gz NGWAVEMUCAJCLH-UHFFFAOYSA-N 1 2 345.432 2.222 50 0 EEAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)NCCSc2nncn2C)c1C ZINC000299783094 258091200 /nfs/dbraw/zinc/09/12/00/258091200.db2.gz NGWAVEMUCAJCLH-UHFFFAOYSA-N 1 2 345.432 2.222 50 0 EEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)cc2)C[NH2+]1 ZINC000299790193 258096135 /nfs/dbraw/zinc/09/61/35/258096135.db2.gz BNHQNIZDKNNVCG-SJORKVTESA-N 1 2 342.370 2.126 50 0 EEAALO CC[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccncc1 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O=S(=O)(Cc1ccccc1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043955078 463663249 /nfs/dbraw/zinc/66/32/49/463663249.db2.gz KENWPXGQDOKLIM-UHFFFAOYSA-N 1 2 345.468 2.418 50 0 EEAALO O=S(=O)(c1cccc(F)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613356 468148510 /nfs/dbraw/zinc/14/85/10/468148510.db2.gz QACXVORJNUREOH-HNNXBMFYSA-N 1 2 336.388 2.453 50 0 EEAALO O=C(NCCOCCn1cc[nH+]c1)c1cc(Br)cs1 ZINC000575621015 468152513 /nfs/dbraw/zinc/15/25/13/468152513.db2.gz XFUMYWNTFWTJHB-UHFFFAOYSA-N 1 2 344.234 2.154 50 0 EEAALO Cc1[nH]c2ccc(CC(=O)N[C@@H](CC(C)C)c3ncnn3C)cc2[nH+]1 ZINC000534587869 468265026 /nfs/dbraw/zinc/26/50/26/468265026.db2.gz SXJLOXFLZBLFHD-INIZCTEOSA-N 1 2 340.431 2.446 50 0 EEAALO Cc1[nH]c2cc(CC(=O)N[C@@H](CC(C)C)c3ncnn3C)ccc2[nH+]1 ZINC000534587869 468265028 /nfs/dbraw/zinc/26/50/28/468265028.db2.gz SXJLOXFLZBLFHD-INIZCTEOSA-N 1 2 340.431 2.446 50 0 EEAALO OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000002479533 676495388 /nfs/dbraw/zinc/49/53/88/676495388.db2.gz 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ZINC000072119499 203164125 /nfs/dbraw/zinc/16/41/25/203164125.db2.gz VOISJZVYXHCPIE-UHFFFAOYSA-N 1 2 337.387 2.041 50 0 EEAALO CNC(=O)c1nc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)no1 ZINC000072146366 203171893 /nfs/dbraw/zinc/17/18/93/203171893.db2.gz ZBGYWVJWVDGGIM-ZDUSSCGKSA-N 1 2 346.406 2.413 50 0 EEAALO CNC(=O)c1nc(C[N@H+]2CCC[C@@H](CCc3ccccc3F)C2)no1 ZINC000072146366 203171895 /nfs/dbraw/zinc/17/18/95/203171895.db2.gz ZBGYWVJWVDGGIM-ZDUSSCGKSA-N 1 2 346.406 2.413 50 0 EEAALO O=C(NCCc1c[nH+]c[nH]1)c1cc(N2CCc3ccccc3C2)ccn1 ZINC000072165365 203179078 /nfs/dbraw/zinc/17/90/78/203179078.db2.gz AMLDGTIUMOLWNO-UHFFFAOYSA-N 1 2 347.422 2.340 50 0 EEAALO O=C(NCCc1c[nH]c[nH+]1)c1cc(N2CCc3ccccc3C2)ccn1 ZINC000072165365 203179082 /nfs/dbraw/zinc/17/90/82/203179082.db2.gz AMLDGTIUMOLWNO-UHFFFAOYSA-N 1 2 347.422 2.340 50 0 EEAALO NC(=O)c1noc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)n1 ZINC000072171429 203180701 /nfs/dbraw/zinc/18/07/01/203180701.db2.gz HEWCFEOCDOTRTM-CYBMUJFWSA-N 1 2 332.379 2.152 50 0 EEAALO NC(=O)c1noc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)n1 ZINC000072171429 203180702 /nfs/dbraw/zinc/18/07/02/203180702.db2.gz HEWCFEOCDOTRTM-CYBMUJFWSA-N 1 2 332.379 2.152 50 0 EEAALO O=C(c1ccn(C(F)F)n1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072477256 203231697 /nfs/dbraw/zinc/23/16/97/203231697.db2.gz GJAZFHPGNJEBOH-UHFFFAOYSA-N 1 2 338.333 2.375 50 0 EEAALO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000072409198 203217613 /nfs/dbraw/zinc/21/76/13/203217613.db2.gz SIJOFJGWFDANRH-UHFFFAOYSA-N 1 2 342.443 2.272 50 0 EEAALO CCc1cc(NC[C@@H](CC)[NH+]2CCN(C)CC2)n2nc(C)c(C)c2n1 ZINC000072432538 203223563 /nfs/dbraw/zinc/22/35/63/203223563.db2.gz DJLPXVIPXRBHQB-QGZVFWFLSA-N 1 2 344.507 2.346 50 0 EEAALO CCc1cc(NC[C@@H](CC)N2CC[NH+](C)CC2)n2nc(C)c(C)c2n1 ZINC000072432538 203223567 /nfs/dbraw/zinc/22/35/67/203223567.db2.gz DJLPXVIPXRBHQB-QGZVFWFLSA-N 1 2 344.507 2.346 50 0 EEAALO O=C(NCCc1ccc(F)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000074006785 203278180 /nfs/dbraw/zinc/27/81/80/203278180.db2.gz 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Cc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000002961168 462608287 /nfs/dbraw/zinc/60/82/87/462608287.db2.gz MDMMFWQMUXUFOF-UHFFFAOYSA-N 1 2 329.425 2.472 50 0 EEAALO CC[C@@H](C)[N@@H+]1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 ZINC000012418631 462853549 /nfs/dbraw/zinc/85/35/49/462853549.db2.gz RAXIKAHKHATNSL-SNVBAGLBSA-N 1 2 348.834 2.471 50 0 EEAALO CC[C@@H](C)[N@H+]1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 ZINC000012418631 462853551 /nfs/dbraw/zinc/85/35/51/462853551.db2.gz RAXIKAHKHATNSL-SNVBAGLBSA-N 1 2 348.834 2.471 50 0 EEAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCC[C@@H](O)C2)c(C)o1 ZINC000012471715 462854408 /nfs/dbraw/zinc/85/44/08/462854408.db2.gz RCWOHPLVRGPEKC-OAHLLOKOSA-N 1 2 329.400 2.183 50 0 EEAALO O=C(N[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1C1CC1)C1CCCC1 ZINC000091380697 462876540 /nfs/dbraw/zinc/87/65/40/462876540.db2.gz YJYZQPVNWQDZID-CVEARBPZSA-N 1 2 344.459 2.464 50 0 EEAALO O=C(N[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1C1CC1)C1CCCC1 ZINC000091380697 462876543 /nfs/dbraw/zinc/87/65/43/462876543.db2.gz YJYZQPVNWQDZID-CVEARBPZSA-N 1 2 344.459 2.464 50 0 EEAALO COC(=O)[C@@H](NC(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)C(C)C ZINC000013776096 462903213 /nfs/dbraw/zinc/90/32/13/462903213.db2.gz IHLZNLRBUITJET-FVNWOWOISA-N 1 2 345.443 2.182 50 0 EEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](O)c2ccc(OC)cc2)CC1 ZINC000091754706 462903499 /nfs/dbraw/zinc/90/34/99/462903499.db2.gz MPTXHCGQTFPAKM-KRWDZBQOSA-N 1 2 343.427 2.351 50 0 EEAALO CN(Cc1cnn(Cc2ccccc2)c1)c1[nH+]cnc2c1cnn2C ZINC000014276509 462923398 /nfs/dbraw/zinc/92/33/98/462923398.db2.gz CCIMRDMXCKFKQG-UHFFFAOYSA-N 1 2 333.399 2.245 50 0 EEAALO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000067287221 462988455 /nfs/dbraw/zinc/98/84/55/462988455.db2.gz WMGJWMIDYNWXHC-MRXNPFEDSA-N 1 2 347.390 2.093 50 0 EEAALO CC(C)[C@@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1[nH+]ccn1C ZINC000095368416 463069818 /nfs/dbraw/zinc/06/98/18/463069818.db2.gz PZICYRVAURYCOV-MRXNPFEDSA-N 1 2 346.475 2.272 50 0 EEAALO 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Cn1cc[nH+]c1[C@@H](NC(=O)N(CCO)Cc1ccc(F)cc1)C1CC1 ZINC000534673433 468273581 /nfs/dbraw/zinc/27/35/81/468273581.db2.gz BEYCCNASXJYHDN-INIZCTEOSA-N 1 2 346.406 2.214 50 0 EEAALO O=C(Nc1ccc2nsnc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000000270098 462552505 /nfs/dbraw/zinc/55/25/05/462552505.db2.gz OLDZCPNQIVEGFC-UHFFFAOYSA-N 1 2 340.412 2.440 50 0 EEAALO O=C(Nc1cnc(-n2cc[nH+]c2)nc1)Nc1ccc2c(c1)OCCO2 ZINC000085555618 462553044 /nfs/dbraw/zinc/55/30/44/462553044.db2.gz OWLLBPMOXAJMCA-UHFFFAOYSA-N 1 2 338.327 2.078 50 0 EEAALO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012950947 462877225 /nfs/dbraw/zinc/87/72/25/462877225.db2.gz PDJMGPKQOZOJOE-ZFWWWQNUSA-N 1 2 334.416 2.286 50 0 EEAALO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012950947 462877228 /nfs/dbraw/zinc/87/72/28/462877228.db2.gz PDJMGPKQOZOJOE-ZFWWWQNUSA-N 1 2 334.416 2.286 50 0 EEAALO O=C1OCC[C@H]1Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000013231521 462887980 /nfs/dbraw/zinc/88/79/80/462887980.db2.gz NZECOLCKSCKTRN-GFCCVEGCSA-N 1 2 330.344 2.362 50 0 EEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCc2sccc2C1 ZINC000014138212 462913496 /nfs/dbraw/zinc/91/34/96/462913496.db2.gz OOIKTCOLBBYCQX-HNNXBMFYSA-N 1 2 341.436 2.227 50 0 EEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCc2sccc2C1 ZINC000014138212 462913502 /nfs/dbraw/zinc/91/35/02/462913502.db2.gz OOIKTCOLBBYCQX-HNNXBMFYSA-N 1 2 341.436 2.227 50 0 EEAALO CC(C)(CNC(=O)NCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000014163641 462915034 /nfs/dbraw/zinc/91/50/34/462915034.db2.gz DZIXUWOQZRAXQZ-UHFFFAOYSA-N 1 2 325.840 2.250 50 0 EEAALO COc1ccc(-n2cccn2)c(-c2[nH+]ccn2[C@@H](C)c2ncnn2C)c1 ZINC000077377749 462976227 /nfs/dbraw/zinc/97/62/27/462976227.db2.gz PTJPSNOKGTWULG-ZDUSSCGKSA-N 1 2 349.398 2.482 50 0 EEAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)cc1 ZINC000016497311 462980741 /nfs/dbraw/zinc/98/07/41/462980741.db2.gz RASBGHGIPNLDQM-UHFFFAOYSA-N 1 2 339.439 2.401 50 0 EEAALO O=C(COc1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637627 462984038 /nfs/dbraw/zinc/98/40/38/462984038.db2.gz YGENKKPAPUNTIY-UHFFFAOYSA-N 1 2 331.803 2.463 50 0 EEAALO CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000016652122 462987215 /nfs/dbraw/zinc/98/72/15/462987215.db2.gz OCZIMISYDVBKPS-UHFFFAOYSA-N 1 2 340.489 2.418 50 0 EEAALO COc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1 ZINC000018172788 463007975 /nfs/dbraw/zinc/00/79/75/463007975.db2.gz JSDQQGJJERESQI-UHFFFAOYSA-N 1 2 342.399 2.453 50 0 EEAALO CCn1c(=O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c1=S ZINC000020410731 463027445 /nfs/dbraw/zinc/02/74/45/463027445.db2.gz BMXWNNDWDTVMFJ-CQSZACIVSA-N 1 2 342.424 2.348 50 0 biogenic EEAALO CCn1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000020410731 463027449 /nfs/dbraw/zinc/02/74/49/463027449.db2.gz BMXWNNDWDTVMFJ-CQSZACIVSA-N 1 2 342.424 2.348 50 0 biogenic EEAALO COCc1ncc(C[NH+]2CCN(c3cccc(C(C)C)n3)CC2)cn1 ZINC000067883543 463063339 /nfs/dbraw/zinc/06/33/39/463063339.db2.gz HLSDMFXYNHKOHA-UHFFFAOYSA-N 1 2 341.459 2.464 50 0 EEAALO O=C(Cc1cn2ccccc2n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000024437626 463086082 /nfs/dbraw/zinc/08/60/82/463086082.db2.gz ZEVSINHGFZHUBO-UHFFFAOYSA-N 1 2 345.406 2.438 50 0 EEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3cc(OC)ccc3[nH]2)CC1 ZINC000024601724 463092058 /nfs/dbraw/zinc/09/20/58/463092058.db2.gz DMTMCKKUAAYPCH-GFCCVEGCSA-N 1 2 348.472 2.216 50 0 EEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000024601724 463092064 /nfs/dbraw/zinc/09/20/64/463092064.db2.gz DMTMCKKUAAYPCH-GFCCVEGCSA-N 1 2 348.472 2.216 50 0 EEAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc(=O)[nH]c2ccccc21 ZINC000024901991 463100813 /nfs/dbraw/zinc/10/08/13/463100813.db2.gz UITWIPABKTWOJV-UHFFFAOYSA-N 1 2 331.335 2.361 50 0 EEAALO O=C(Nc1cccnc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000096163488 463191903 /nfs/dbraw/zinc/19/19/03/463191903.db2.gz UBKJYOJYZLPLHF-ZDUSSCGKSA-N 1 2 338.839 2.454 50 0 EEAALO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000029393731 463256312 /nfs/dbraw/zinc/25/63/12/463256312.db2.gz 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CCNC(=O)[C@H]1CC[C@@](C)(C(=O)N(C)Cc2[nH+]ccn2CC)C1(C)C ZINC000222909168 464134532 /nfs/dbraw/zinc/13/45/32/464134532.db2.gz HWYVMYOHVNAPDH-KUHUBIRLSA-N 1 2 348.491 2.440 50 0 EEAALO O=C(NCCOCCn1cc[nH+]c1)c1ccccc1Br ZINC000575619215 468151576 /nfs/dbraw/zinc/15/15/76/468151576.db2.gz IRJVVEFQCBQIIO-UHFFFAOYSA-N 1 2 338.205 2.092 50 0 EEAALO Cc1[nH]c2ccc(CC(=O)NCCCc3csc(N)n3)cc2[nH+]1 ZINC000670474367 485656062 /nfs/dbraw/zinc/65/60/62/485656062.db2.gz MICRCCAMYZEFCQ-UHFFFAOYSA-N 1 2 329.429 2.202 50 0 EEAALO Cc1[nH]c2cc(CC(=O)NCCCc3csc(N)n3)ccc2[nH+]1 ZINC000670474367 485656071 /nfs/dbraw/zinc/65/60/71/485656071.db2.gz MICRCCAMYZEFCQ-UHFFFAOYSA-N 1 2 329.429 2.202 50 0 EEAALO OCC[C@H]1C[N@H+](Cc2cccnc2)CCN1Cc1ccc(F)cc1 ZINC000023374591 1201126466 /nfs/dbraw/zinc/12/64/66/1201126466.db2.gz SPTJSXGLDALHIV-IBGZPJMESA-N 1 2 329.419 2.290 50 0 EEAALO OCC[C@H]1C[N@@H+](Cc2cccnc2)CCN1Cc1ccc(F)cc1 ZINC000023374591 1201126468 /nfs/dbraw/zinc/12/64/68/1201126468.db2.gz 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/nfs/dbraw/zinc/29/91/07/212299107.db2.gz TXGZUSVEZWVZKR-ZDUSSCGKSA-N 1 2 333.259 2.371 50 0 EEAALO COCCn1cc[nH+]c1CN(C)Cc1nnc(-c2ccccc2)o1 ZINC000215440409 241125000 /nfs/dbraw/zinc/12/50/00/241125000.db2.gz MPEIOMKMDBEOJH-UHFFFAOYSA-N 1 2 327.388 2.212 50 0 EEAALO O=C(c1onc2c1CCCC2)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000426419647 241281439 /nfs/dbraw/zinc/28/14/39/241281439.db2.gz BGCDXOFPYDDVCO-UHFFFAOYSA-N 1 2 340.427 2.297 50 0 EEAALO O=C(c1onc2c1CCCC2)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000426419647 241281446 /nfs/dbraw/zinc/28/14/46/241281446.db2.gz BGCDXOFPYDDVCO-UHFFFAOYSA-N 1 2 340.427 2.297 50 0 EEAALO Cc1cc2[nH]c(CCC(=O)N[C@@H](CC(C)C)C(N)=O)[nH+]c2cc1C ZINC000426478101 241293418 /nfs/dbraw/zinc/29/34/18/241293418.db2.gz WLCOGAVNHZJYQW-HNNXBMFYSA-N 1 2 330.432 2.129 50 0 EEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)C1CC1 ZINC000220750593 241454286 /nfs/dbraw/zinc/45/42/86/241454286.db2.gz TYFHTZLIIYXWRN-KRWDZBQOSA-N 1 2 327.384 2.349 50 0 EEAALO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020213835 212111633 /nfs/dbraw/zinc/11/16/33/212111633.db2.gz GPMNKYUUBRKSJG-QGZVFWFLSA-N 1 2 343.427 2.262 50 0 EEAALO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccc(Br)cc1 ZINC000019360934 212021728 /nfs/dbraw/zinc/02/17/28/212021728.db2.gz JCMDEBQRGWWTRO-GFCCVEGCSA-N 1 2 341.249 2.242 50 0 EEAALO Cc1nc(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)n[nH]1 ZINC000012973007 211495923 /nfs/dbraw/zinc/49/59/23/211495923.db2.gz VAHNYZOKHIRXSZ-CYBMUJFWSA-N 1 2 345.472 2.111 50 0 EEAALO Cc1nnc(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH]1 ZINC000012973007 211495927 /nfs/dbraw/zinc/49/59/27/211495927.db2.gz VAHNYZOKHIRXSZ-CYBMUJFWSA-N 1 2 345.472 2.111 50 0 EEAALO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nonc2C)c(OC)c1 ZINC000012202189 211320478 /nfs/dbraw/zinc/32/04/78/211320478.db2.gz SPXZRZXHKHCSCB-UHFFFAOYSA-N 1 2 343.387 2.417 50 0 EEAALO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nonc2C)c(OC)c1 ZINC000012202189 211320484 /nfs/dbraw/zinc/32/04/84/211320484.db2.gz 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218082271 /nfs/dbraw/zinc/08/22/71/218082271.db2.gz BJPRZIOACZYGHR-GXTWGEPZSA-N 1 2 347.440 2.481 50 0 EEAALO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)o1 ZINC000091873068 218082272 /nfs/dbraw/zinc/08/22/72/218082272.db2.gz BJPRZIOACZYGHR-GXTWGEPZSA-N 1 2 347.440 2.481 50 0 EEAALO O=C(c1cccnn1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000092078706 218116885 /nfs/dbraw/zinc/11/68/85/218116885.db2.gz NMDPVHQNDAITPM-HNNXBMFYSA-N 1 2 348.410 2.136 50 0 EEAALO O=C(CN1CCCCC1=O)N[C@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000097360229 219014727 /nfs/dbraw/zinc/01/47/27/219014727.db2.gz ZGSPPPRVLLXQME-QGZVFWFLSA-N 1 2 340.427 2.143 50 0 EEAALO CCCN1C(=O)c2ccccc2[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000334163650 258015756 /nfs/dbraw/zinc/01/57/56/258015756.db2.gz ZUVHWKPXKRVZGT-IBGZPJMESA-N 1 2 337.423 2.457 50 0 EEAALO CCC[C@H](NC(=O)c1ccc2c(c1)ncn2CCO)c1[nH+]ccn1C ZINC000299796665 258100810 /nfs/dbraw/zinc/10/08/10/258100810.db2.gz RSRZTUVHJMJVGU-AWEZNQCLSA-N 1 2 341.415 2.033 50 0 EEAALO O=c1[nH]ncc(N2CC[NH+](CCOc3ccccc3)CC2)c1Cl ZINC000034616989 132388216 /nfs/dbraw/zinc/38/82/16/132388216.db2.gz GFCGRYPRGBTGOK-UHFFFAOYSA-N 1 2 334.807 2.037 50 0 EEAALO Cc1ccc(F)c2cc(C)c(N3CC[C@]4(CC(=O)NC4=O)C3)[nH+]c12 ZINC000082127870 292120698 /nfs/dbraw/zinc/12/06/98/292120698.db2.gz AIWFLJNSGWSAFM-SFHVURJKSA-N 1 2 327.359 2.234 50 0 EEAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1 ZINC000000035391 462540357 /nfs/dbraw/zinc/54/03/57/462540357.db2.gz FBDIEIHFROPDNG-UHFFFAOYSA-N 1 2 337.423 2.255 50 0 EEAALO CCOc1ccc(C(=O)CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000006110166 462676999 /nfs/dbraw/zinc/67/69/99/462676999.db2.gz BKUVKKJLVSDBRF-UHFFFAOYSA-N 1 2 329.400 2.451 50 0 EEAALO Cc1nn(C)c(C)c1C[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000065383793 462761117 /nfs/dbraw/zinc/76/11/17/462761117.db2.gz AGMAVFIZISICQG-UHFFFAOYSA-N 1 2 348.878 2.481 50 0 EEAALO Cc1nn(C)c(C)c1C[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000065383793 462761121 /nfs/dbraw/zinc/76/11/21/462761121.db2.gz 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0 EEAALO Cc1noc(C)c1CCCNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000827836934 800518417 /nfs/dbraw/zinc/51/84/17/800518417.db2.gz WHQKWLLGOCBZKY-UHFFFAOYSA-N 1 2 343.427 2.235 50 0 EEAALO Cc1nc(C)c(C(=O)N2CCC[N@H+](Cc3cccnc3N)CC2)s1 ZINC001529158386 1121345970 /nfs/dbraw/zinc/34/59/70/1121345970.db2.gz BISLXADEZBHIGT-UHFFFAOYSA-N 1 2 345.472 2.085 50 0 EEAALO Cc1nc(C)c(C(=O)N2CCC[N@@H+](Cc3cccnc3N)CC2)s1 ZINC001529158386 1121345980 /nfs/dbraw/zinc/34/59/80/1121345980.db2.gz BISLXADEZBHIGT-UHFFFAOYSA-N 1 2 345.472 2.085 50 0 EEAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000055271321 214299779 /nfs/dbraw/zinc/29/97/79/214299779.db2.gz LTLSYVHNKGFDTR-AWEZNQCLSA-N 1 2 333.363 2.362 50 0 EEAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000055271321 214299784 /nfs/dbraw/zinc/29/97/84/214299784.db2.gz LTLSYVHNKGFDTR-AWEZNQCLSA-N 1 2 333.363 2.362 50 0 EEAALO Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=[NH+][C@H]2c1ccco1 ZINC000004488228 210201068 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C[N@H+](Cc1nc2cc(F)ccc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000216168614 241170196 /nfs/dbraw/zinc/17/01/96/241170196.db2.gz NPYAHIHYZNIPLL-UHFFFAOYSA-N 1 2 334.439 2.492 50 0 EEAALO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000216168614 241170200 /nfs/dbraw/zinc/17/02/00/241170200.db2.gz NPYAHIHYZNIPLL-UHFFFAOYSA-N 1 2 334.439 2.492 50 0 EEAALO c1ccc(COc2cccc(C[NH+]3CC(N4CCOCC4)C3)c2)nc1 ZINC000216347638 241184474 /nfs/dbraw/zinc/18/44/74/241184474.db2.gz AYNUFCVKCLKQDV-UHFFFAOYSA-N 1 2 339.439 2.177 50 0 EEAALO Cc1cccc2[nH]c(CN(C)C(=O)CC3=CSC4=[NH+]CCN34)nc21 ZINC000244678566 243055261 /nfs/dbraw/zinc/05/52/61/243055261.db2.gz IFWZWDHBHZFQNV-UHFFFAOYSA-N 1 2 341.440 2.480 50 0 EEAALO CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC1=CSC2=[NH+]CCN12 ZINC000244794562 243082502 /nfs/dbraw/zinc/08/25/02/243082502.db2.gz QOXXWEYQUAUQGC-AWEZNQCLSA-N 1 2 329.425 2.098 50 0 EEAALO CCn1ncc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c1C ZINC000020608416 212153750 /nfs/dbraw/zinc/15/37/50/212153750.db2.gz ZTXHOCPLVBBNCR-UHFFFAOYSA-N 1 2 326.444 2.478 50 0 EEAALO Fc1cccc(F)c1C[N@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000020455648 212131706 /nfs/dbraw/zinc/13/17/06/212131706.db2.gz OQGFNOGGTWPZOR-OAHLLOKOSA-N 1 2 334.370 2.466 50 0 EEAALO Fc1cccc(F)c1C[N@@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000020455648 212131707 /nfs/dbraw/zinc/13/17/07/212131707.db2.gz OQGFNOGGTWPZOR-OAHLLOKOSA-N 1 2 334.370 2.466 50 0 EEAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000019841885 212075305 /nfs/dbraw/zinc/07/53/05/212075305.db2.gz IKDLLEYZEKGDTG-UHFFFAOYSA-N 1 2 325.412 2.438 50 0 EEAALO COCCN1C[C@@H](c2[nH]c(C)c(-c3ccc(OC)cc3)[nH+]2)CC1=O ZINC000019219791 212005091 /nfs/dbraw/zinc/00/50/91/212005091.db2.gz ZNMAKCGDJWTSPS-AWEZNQCLSA-N 1 2 329.400 2.356 50 0 EEAALO CC(C)CN1CC2(CC1=O)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC000091665202 218044260 /nfs/dbraw/zinc/04/42/60/218044260.db2.gz IBHRIBSEESRBJW-MRXNPFEDSA-N 1 2 346.475 2.331 50 0 EEAALO Cc1ccc2nc(CNC(=O)[C@@H](c3cccnc3)[NH+]3CCCC3)cn2c1 ZINC000095376615 218308985 /nfs/dbraw/zinc/30/89/85/218308985.db2.gz DVGXDDJDGPPBDG-LJQANCHMSA-N 1 2 349.438 2.491 50 0 EEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)C[NH2+]1 ZINC000299793193 258098800 /nfs/dbraw/zinc/09/88/00/258098800.db2.gz GYURWTVDDAJGDS-SJORKVTESA-N 1 2 342.370 2.126 50 0 EEAALO O[C@@H]1C[N@H+](Cc2cscn2)CC[C@H]1Nc1nc2ccccc2o1 ZINC000299795342 258099766 /nfs/dbraw/zinc/09/97/66/258099766.db2.gz LWJREMLPJQDSKS-TZMCWYRMSA-N 1 2 330.413 2.332 50 0 EEAALO O[C@@H]1C[N@@H+](Cc2cscn2)CC[C@H]1Nc1nc2ccccc2o1 ZINC000299795342 258099768 /nfs/dbraw/zinc/09/97/68/258099768.db2.gz LWJREMLPJQDSKS-TZMCWYRMSA-N 1 2 330.413 2.332 50 0 EEAALO Nc1cc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)nc(N)[nH+]1 ZINC000067674028 132812368 /nfs/dbraw/zinc/81/23/68/132812368.db2.gz FYBYBCXGODDQIC-KRWDZBQOSA-N 1 2 347.850 2.116 50 0 EEAALO Nc1cc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)[nH+]c(N)n1 ZINC000067674028 132812369 /nfs/dbraw/zinc/81/23/69/132812369.db2.gz FYBYBCXGODDQIC-KRWDZBQOSA-N 1 2 347.850 2.116 50 0 EEAALO O=C(NCc1ccccc1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000085466943 462548909 /nfs/dbraw/zinc/54/89/09/462548909.db2.gz OVBGHRJLMWEQQP-INIZCTEOSA-N 1 2 345.468 2.309 50 0 EEAALO CC(C)(CO)Nc1nc(N2CCCCC2)nc(N2CCCCC2)[nH+]1 ZINC000000535759 462569213 /nfs/dbraw/zinc/56/92/13/462569213.db2.gz ITZZZNJBIYNOQI-UHFFFAOYSA-N 1 2 334.468 2.035 50 0 EEAALO CC(C)(CO)Nc1nc(N2CCCCC2)[nH+]c(N2CCCCC2)n1 ZINC000000535759 462569219 /nfs/dbraw/zinc/56/92/19/462569219.db2.gz ITZZZNJBIYNOQI-UHFFFAOYSA-N 1 2 334.468 2.035 50 0 EEAALO O=C(NCc1cn2ccccc2[nH+]1)c1cncc(Br)c1 ZINC000007945401 462758094 /nfs/dbraw/zinc/75/80/94/462758094.db2.gz GOFYGTMLNOIYFY-UHFFFAOYSA-N 1 2 331.173 2.422 50 0 EEAALO COc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000010260314 462816109 /nfs/dbraw/zinc/81/61/09/462816109.db2.gz ODIXEVGZZBYZNI-UHFFFAOYSA-N 1 2 342.399 2.249 50 0 EEAALO O=C(NCc1ccco1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012650925 462861938 /nfs/dbraw/zinc/86/19/38/462861938.db2.gz ISVSFLDUXPQSAN-UHFFFAOYSA-N 1 2 343.383 2.036 50 0 EEAALO CCOCC(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091254239 462866353 /nfs/dbraw/zinc/86/63/53/462866353.db2.gz WIKCREILYAPGBY-UHFFFAOYSA-N 1 2 334.445 2.130 50 0 EEAALO C[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000012975691 462878626 /nfs/dbraw/zinc/87/86/26/462878626.db2.gz OLUSKADRQJAWRR-INIZCTEOSA-N 1 2 344.386 2.214 50 0 EEAALO C[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000012975691 462878629 /nfs/dbraw/zinc/87/86/29/462878629.db2.gz OLUSKADRQJAWRR-INIZCTEOSA-N 1 2 344.386 2.214 50 0 EEAALO CCc1ccc2[nH]c3nc(SCC[NH+]4CCOCC4)nnc3c2c1 ZINC000013624291 462897151 /nfs/dbraw/zinc/89/71/51/462897151.db2.gz CUWCQKRNPLHBSV-UHFFFAOYSA-N 1 2 343.456 2.493 50 0 EEAALO CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCOC)C1 ZINC000092027946 462920183 /nfs/dbraw/zinc/92/01/83/462920183.db2.gz NACDVGYCGRRBFT-CQSZACIVSA-N 1 2 345.447 2.225 50 0 EEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccc(=O)[nH]n1 ZINC000015074926 462941096 /nfs/dbraw/zinc/94/10/96/462941096.db2.gz FXNXSXLUOWHJAJ-UHFFFAOYSA-N 1 2 349.394 2.144 50 0 EEAALO COc1ccnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000015117790 462942247 /nfs/dbraw/zinc/94/22/47/462942247.db2.gz JGUQOZCOGWRWTI-UHFFFAOYSA-N 1 2 328.420 2.034 50 0 EEAALO COc1ccccc1C(=O)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031285 462951153 /nfs/dbraw/zinc/95/11/53/462951153.db2.gz RONUZQGZELFRRX-HNNXBMFYSA-N 1 2 346.452 2.248 50 0 EEAALO COCc1ccc(C(=O)N2CCC[N@H+](Cc3ccncc3)CC2)o1 ZINC000077438317 462984457 /nfs/dbraw/zinc/98/44/57/462984457.db2.gz XHJISAHMPOQCTG-UHFFFAOYSA-N 1 2 329.400 2.169 50 0 EEAALO COCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)o1 ZINC000077438317 462984460 /nfs/dbraw/zinc/98/44/60/462984460.db2.gz XHJISAHMPOQCTG-UHFFFAOYSA-N 1 2 329.400 2.169 50 0 EEAALO COc1nc2c(cc1C(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000077486943 462994015 /nfs/dbraw/zinc/99/40/15/462994015.db2.gz ITVWWTYHYWNKEE-ZDUSSCGKSA-N 1 2 326.400 2.322 50 0 EEAALO O=C1NCCN1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000052216847 463069231 /nfs/dbraw/zinc/06/92/31/463069231.db2.gz RUGHVJWYSWNQOV-UHFFFAOYSA-N 1 2 332.429 2.393 50 0 EEAALO Cn1cc(/C=C/C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cn1 ZINC000024015812 463075875 /nfs/dbraw/zinc/07/58/75/463075875.db2.gz ZUZNQLKHVHVUPS-LXXRFIIISA-N 1 2 339.374 2.212 50 0 EEAALO COc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)C)c(OC)n1 ZINC000095502064 463095768 /nfs/dbraw/zinc/09/57/68/463095768.db2.gz PRLRNPXGYDARHS-ZDUSSCGKSA-N 1 2 333.392 2.351 50 0 EEAALO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000027339386 463186656 /nfs/dbraw/zinc/18/66/56/463186656.db2.gz RPMQJKOSKGSAHM-CQSZACIVSA-N 1 2 334.807 2.205 50 0 EEAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](Cc1cncs1)C2 ZINC000096160054 463190933 /nfs/dbraw/zinc/19/09/33/463190933.db2.gz JBGAANGURAKXNS-GUYCJALGSA-N 1 2 335.473 2.294 50 0 EEAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](Cc1cncs1)C2 ZINC000096160054 463190936 /nfs/dbraw/zinc/19/09/36/463190936.db2.gz JBGAANGURAKXNS-GUYCJALGSA-N 1 2 335.473 2.294 50 0 EEAALO O=C([O-])[C@]12C[NH+](Cc3cncs3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096160054 463190942 /nfs/dbraw/zinc/19/09/42/463190942.db2.gz JBGAANGURAKXNS-GUYCJALGSA-N 1 2 335.473 2.294 50 0 EEAALO O=C([O-])[C@]12C[NH+](Cc3cncs3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096160054 463190944 /nfs/dbraw/zinc/19/09/44/463190944.db2.gz JBGAANGURAKXNS-GUYCJALGSA-N 1 2 335.473 2.294 50 0 EEAALO OCCn1ncc2c1nc[nH+]c2N1CCC[C@@H]1c1ccc(F)cc1 ZINC000097199910 463344416 /nfs/dbraw/zinc/34/44/16/463344416.db2.gz CMAOZZJWNPKQOJ-OAHLLOKOSA-N 1 2 327.363 2.299 50 0 EEAALO Cc1cccc(N2C[C@@H](C)N(CC(C)(C)[NH+]3CCOCC3)CC2=O)c1 ZINC000082087480 463513245 /nfs/dbraw/zinc/51/32/45/463513245.db2.gz ZDGYJICWDPHBGR-QGZVFWFLSA-N 1 2 345.487 2.143 50 0 EEAALO Cc1cccc(N2C[C@@H](C)[N@@H+](CC(C)(C)N3CCOCC3)CC2=O)c1 ZINC000082087480 463513249 /nfs/dbraw/zinc/51/32/49/463513249.db2.gz ZDGYJICWDPHBGR-QGZVFWFLSA-N 1 2 345.487 2.143 50 0 EEAALO Cc1cccc(N2C[C@@H](C)[N@H+](CC(C)(C)N3CCOCC3)CC2=O)c1 ZINC000082087480 463513252 /nfs/dbraw/zinc/51/32/52/463513252.db2.gz ZDGYJICWDPHBGR-QGZVFWFLSA-N 1 2 345.487 2.143 50 0 EEAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000082087711 463513332 /nfs/dbraw/zinc/51/33/32/463513332.db2.gz HEVMDVXDGRYEAI-OAHLLOKOSA-N 1 2 336.399 2.225 50 0 EEAALO C[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)[N@@H+]1CCOC[C@@H]1C ZINC000107144735 463558542 /nfs/dbraw/zinc/55/85/42/463558542.db2.gz XSJWRWTUYACTOH-MBNYWOFBSA-N 1 2 338.477 2.003 50 0 EEAALO C[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)[N@H+]1CCOC[C@@H]1C ZINC000107144735 463558546 /nfs/dbraw/zinc/55/85/46/463558546.db2.gz XSJWRWTUYACTOH-MBNYWOFBSA-N 1 2 338.477 2.003 50 0 EEAALO O=C(CCc1ccco1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107362710 463566673 /nfs/dbraw/zinc/56/66/73/463566673.db2.gz YKUOQNKSFUTGEB-RTBURBONSA-N 1 2 340.423 2.324 50 0 EEAALO O=C(CCc1ccco1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107362710 463566677 /nfs/dbraw/zinc/56/66/77/463566677.db2.gz YKUOQNKSFUTGEB-RTBURBONSA-N 1 2 340.423 2.324 50 0 EEAALO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1C ZINC000108147181 463591590 /nfs/dbraw/zinc/59/15/90/463591590.db2.gz GPZGWRHSYJYKOO-HOCLYGCPSA-N 1 2 334.370 2.182 50 0 EEAALO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1C ZINC000108147181 463591594 /nfs/dbraw/zinc/59/15/94/463591594.db2.gz GPZGWRHSYJYKOO-HOCLYGCPSA-N 1 2 334.370 2.182 50 0 EEAALO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000108463192 463604827 /nfs/dbraw/zinc/60/48/27/463604827.db2.gz RIJLPALODVKLFN-CHWSQXEVSA-N 1 2 337.445 2.291 50 0 EEAALO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000108463192 463604828 /nfs/dbraw/zinc/60/48/28/463604828.db2.gz RIJLPALODVKLFN-CHWSQXEVSA-N 1 2 337.445 2.291 50 0 EEAALO CCc1[nH+]c(C)ccc1OCC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000222989005 464136260 /nfs/dbraw/zinc/13/62/60/464136260.db2.gz GANWCLYJSWLJQC-AEFFLSMTSA-N 1 2 348.443 2.032 50 0 EEAALO Cc1sc2[nH]c(CCNc3nnc(C[NH+](C)C)o3)nc(=O)c2c1C ZINC001772702881 1179286330 /nfs/dbraw/zinc/28/63/30/1179286330.db2.gz VTRBVMANMCWQDI-UHFFFAOYSA-N 1 2 348.432 2.113 50 0 EEAALO O=C(c1scc2c1OCCO2)N1CCC[N@H+](Cc2ccoc2)CC1 ZINC001529118278 1121325512 /nfs/dbraw/zinc/32/55/12/1121325512.db2.gz IRVDKZRLXFZXRQ-UHFFFAOYSA-N 1 2 348.424 2.460 50 0 EEAALO O=C(c1scc2c1OCCO2)N1CCC[N@@H+](Cc2ccoc2)CC1 ZINC001529118278 1121325521 /nfs/dbraw/zinc/32/55/21/1121325521.db2.gz IRVDKZRLXFZXRQ-UHFFFAOYSA-N 1 2 348.424 2.460 50 0 EEAALO O=C(c1ccncc1Cl)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055109351 214274622 /nfs/dbraw/zinc/27/46/22/214274622.db2.gz IDTYGXLLLIBWGT-ZDUSSCGKSA-N 1 2 349.818 2.037 50 0 EEAALO O=C(c1ccncc1Cl)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055109351 214274624 /nfs/dbraw/zinc/27/46/24/214274624.db2.gz IDTYGXLLLIBWGT-ZDUSSCGKSA-N 1 2 349.818 2.037 50 0 EEAALO COc1ccc2c(c1)[C@@H](C(=O)Nc1c[nH+]c3n1CCCC3)CC(=O)N2 ZINC000067755549 215202790 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/nfs/dbraw/zinc/70/29/57/462702957.db2.gz KMZLOWCMMGZSCM-UHFFFAOYSA-N 1 2 329.791 2.365 50 0 EEAALO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)CC(=O)NC(C)C ZINC000006841191 462708364 /nfs/dbraw/zinc/70/83/64/462708364.db2.gz VVHADPCXSMRHLN-UHFFFAOYSA-N 1 2 325.840 2.433 50 0 EEAALO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)CC(=O)NC(C)C ZINC000006841191 462708369 /nfs/dbraw/zinc/70/83/69/462708369.db2.gz VVHADPCXSMRHLN-UHFFFAOYSA-N 1 2 325.840 2.433 50 0 EEAALO c1cnn(-c2ccccc2CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000065492152 462781199 /nfs/dbraw/zinc/78/11/99/462781199.db2.gz XALHILJIBXQHAT-UHFFFAOYSA-N 1 2 336.399 2.111 50 0 EEAALO c1cnn(-c2ccccc2CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000065492152 462781204 /nfs/dbraw/zinc/78/12/04/462781204.db2.gz XALHILJIBXQHAT-UHFFFAOYSA-N 1 2 336.399 2.111 50 0 EEAALO CC(C)Oc1cc(NCc2csc(-c3ncccn3)n2)nc(N)[nH+]1 ZINC000065503789 462783547 /nfs/dbraw/zinc/78/35/47/462783547.db2.gz UXLHXEGIDJPPBL-UHFFFAOYSA-N 1 2 343.416 2.372 50 0 EEAALO CC(C)Oc1cc(NCc2csc(-c3ncccn3)n2)[nH+]c(N)n1 ZINC000065503789 462783549 /nfs/dbraw/zinc/78/35/49/462783549.db2.gz UXLHXEGIDJPPBL-UHFFFAOYSA-N 1 2 343.416 2.372 50 0 EEAALO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000015679391 462960077 /nfs/dbraw/zinc/96/00/77/462960077.db2.gz BVPIMJFKAPRGAG-UHFFFAOYSA-N 1 2 349.232 2.227 50 0 EEAALO CC[N@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000077355331 462973262 /nfs/dbraw/zinc/97/32/62/462973262.db2.gz PPBMNHCVDMHLFS-HNNXBMFYSA-N 1 2 348.468 2.154 50 0 EEAALO CC[N@@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000077355331 462973267 /nfs/dbraw/zinc/97/32/67/462973267.db2.gz PPBMNHCVDMHLFS-HNNXBMFYSA-N 1 2 348.468 2.154 50 0 EEAALO O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000077378745 462975683 /nfs/dbraw/zinc/97/56/83/462975683.db2.gz PVOATCCHHBAGGH-KRWDZBQOSA-N 1 2 325.412 2.324 50 0 EEAALO CN(C)[C@H](C[NH+]1CCN(c2ncccn2)CC1)c1ccccc1F ZINC000019745458 463021132 /nfs/dbraw/zinc/02/11/32/463021132.db2.gz LWWXVXGBJORACA-QGZVFWFLSA-N 1 2 329.423 2.041 50 0 EEAALO Cc1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2nc3ccccc3[nH]2)[nH]n1 ZINC000067641089 463031308 /nfs/dbraw/zinc/03/13/08/463031308.db2.gz JJWSCGZJLCNRSU-QGZVFWFLSA-N 1 2 333.399 2.465 50 0 EEAALO O=C(Cc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000024572876 463089595 /nfs/dbraw/zinc/08/95/95/463089595.db2.gz KLDZZYQVORUGJO-UHFFFAOYSA-N 1 2 335.451 2.457 50 0 EEAALO O=C(Nc1ccccc1-n1cncn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025006107 463106300 /nfs/dbraw/zinc/10/63/00/463106300.db2.gz WNRSWSUJXNBCHE-UHFFFAOYSA-N 1 2 331.339 2.100 50 0 EEAALO O=C(C[NH+]1CCN(c2nccs2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000025057881 463109000 /nfs/dbraw/zinc/10/90/00/463109000.db2.gz RGGNTQOVHKGOJB-HOTGVXAUSA-N 1 2 348.516 2.446 50 0 EEAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000025411625 463123710 /nfs/dbraw/zinc/12/37/10/463123710.db2.gz ZTWPSPDJIXGQNM-KZNAEPCWSA-N 1 2 345.487 2.141 50 0 EEAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC000026452329 463163715 /nfs/dbraw/zinc/16/37/15/463163715.db2.gz FEEQQFAXDJCCSO-HOCLYGCPSA-N 1 2 348.443 2.088 50 0 EEAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCOC[C@@H]2C)cc1OC ZINC000026452329 463163718 /nfs/dbraw/zinc/16/37/18/463163718.db2.gz FEEQQFAXDJCCSO-HOCLYGCPSA-N 1 2 348.443 2.088 50 0 EEAALO C=Cc1ccc(NC(=O)N2CCCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000096153606 463186793 /nfs/dbraw/zinc/18/67/93/463186793.db2.gz MEHVBPXKIUQIMT-SFHVURJKSA-N 1 2 345.443 2.285 50 0 EEAALO C[C@@H](Cc1ccco1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000028417790 463225107 /nfs/dbraw/zinc/22/51/07/463225107.db2.gz BWKGZPBMXXSNLV-ZDUSSCGKSA-N 1 2 325.372 2.291 50 0 EEAALO O=S(=O)(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200564 463345940 /nfs/dbraw/zinc/34/59/40/463345940.db2.gz VGJVECRDSVMJPF-INIZCTEOSA-N 1 2 345.468 2.289 50 0 EEAALO O=S(=O)(CC[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200564 463345944 /nfs/dbraw/zinc/34/59/44/463345944.db2.gz VGJVECRDSVMJPF-INIZCTEOSA-N 1 2 345.468 2.289 50 0 EEAALO Cc1c(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000031970887 463359826 /nfs/dbraw/zinc/35/98/26/463359826.db2.gz UZTSKXFUMBCDEH-UHFFFAOYSA-N 1 2 332.835 2.340 50 0 EEAALO CC12CN3CC(c4ccccc4)(C[N@H+](C1)C3c1cccc(N)c1)[C@H]2O ZINC000035585765 463432901 /nfs/dbraw/zinc/43/29/01/463432901.db2.gz KXOSXYQOTPRNGF-SAOGTBAESA-N 1 2 335.451 2.217 50 0 biogenic EEAALO CC12CN3CC(c4ccccc4)(C[N@@H+](C1)C3c1cccc(N)c1)[C@H]2O ZINC000035585765 463432908 /nfs/dbraw/zinc/43/29/08/463432908.db2.gz KXOSXYQOTPRNGF-SAOGTBAESA-N 1 2 335.451 2.217 50 0 biogenic EEAALO O=C(c1ccsc1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107519999 463572169 /nfs/dbraw/zinc/57/21/69/463572169.db2.gz JTOXDAKOZPBMEP-IAGOWNOFSA-N 1 2 328.437 2.474 50 0 EEAALO O=C(c1ccsc1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107519999 463572175 /nfs/dbraw/zinc/57/21/75/463572175.db2.gz JTOXDAKOZPBMEP-IAGOWNOFSA-N 1 2 328.437 2.474 50 0 EEAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1nnc2n1CCCCC2 ZINC000221427574 464122523 /nfs/dbraw/zinc/12/25/23/464122523.db2.gz HSHDHDPBFMTKEL-UHFFFAOYSA-N 1 2 336.399 2.120 50 0 EEAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1 ZINC000244724724 464461932 /nfs/dbraw/zinc/46/19/32/464461932.db2.gz MZODDSWEUYWJFW-GOSISDBHSA-N 1 2 331.416 2.159 50 0 EEAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1 ZINC000244724724 464461934 /nfs/dbraw/zinc/46/19/34/464461934.db2.gz MZODDSWEUYWJFW-GOSISDBHSA-N 1 2 331.416 2.159 50 0 EEAALO COc1ccc(CCNc2cc([C@@H]3CCOC3)[nH+]c(C)n2)cc1OC ZINC000426420428 467142787 /nfs/dbraw/zinc/14/27/87/467142787.db2.gz UGKXXNAGRSAPCE-OAHLLOKOSA-N 1 2 343.427 2.961 50 0 EEAALO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)n3cccc3)CC2)c1 ZINC000584893697 468957693 /nfs/dbraw/zinc/95/76/93/468957693.db2.gz QLKJQDLDOFNMQP-INIZCTEOSA-N 1 2 327.428 2.402 50 0 EEAALO C[C@@H](Nc1cc(N[C@@H](C)c2ccn(C)n2)nc[nH+]1)c1ccn(C)n1 ZINC000665739578 472166553 /nfs/dbraw/zinc/16/65/53/472166553.db2.gz FDTXSEWZOGFLIW-TXEJJXNPSA-N 1 2 326.408 2.290 50 0 EEAALO C[C@@H](Nc1cc(N[C@@H](C)c2ccn(C)n2)[nH+]cn1)c1ccn(C)n1 ZINC000665739578 472166558 /nfs/dbraw/zinc/16/65/58/472166558.db2.gz FDTXSEWZOGFLIW-TXEJJXNPSA-N 1 2 326.408 2.290 50 0 EEAALO Cc1cc(C(=O)N2CCC[N@H+](Cc3cc(=O)[nH]c(C)n3)CC2)c(C)o1 ZINC001772701008 1179281807 /nfs/dbraw/zinc/28/18/07/1179281807.db2.gz ANLCJPUSAKQSQH-UHFFFAOYSA-N 1 2 344.415 2.049 50 0 EEAALO Cc1cc(C(=O)N2CCC[N@@H+](Cc3cc(=O)[nH]c(C)n3)CC2)c(C)o1 ZINC001772701008 1179281819 /nfs/dbraw/zinc/28/18/19/1179281819.db2.gz ANLCJPUSAKQSQH-UHFFFAOYSA-N 1 2 344.415 2.049 50 0 EEAALO Cc1[nH]nc(C(C)C)c1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000121415092 792871868 /nfs/dbraw/zinc/87/18/68/792871868.db2.gz PPAOHZVBIZLVMP-MRXNPFEDSA-N 1 2 347.507 2.084 50 0 EEAALO Cc1n[nH]c(C(C)C)c1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000121415092 792871884 /nfs/dbraw/zinc/87/18/84/792871884.db2.gz PPAOHZVBIZLVMP-MRXNPFEDSA-N 1 2 347.507 2.084 50 0 EEAALO Cc1cccc(CS(=O)(=O)NC[C@H]2CCCN2c2cccc[nH+]2)c1 ZINC000618255003 797648983 /nfs/dbraw/zinc/64/89/83/797648983.db2.gz KAOGJHUZSMBTJV-QGZVFWFLSA-N 1 2 345.468 2.478 50 0 EEAALO CCOc1ccccc1C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000054297560 214230339 /nfs/dbraw/zinc/23/03/39/214230339.db2.gz WDZFKCYMJWQFJZ-UHFFFAOYSA-N 1 2 339.439 2.481 50 0 EEAALO CC(C)NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000003550298 210052311 /nfs/dbraw/zinc/05/23/11/210052311.db2.gz ZQECZLCOSHZKAC-UHFFFAOYSA-N 1 2 327.413 2.432 50 0 EEAALO CCn1ccnc1C[N@H+](C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000067981898 215264879 /nfs/dbraw/zinc/26/48/79/215264879.db2.gz VDFINVYABXGESP-UHFFFAOYSA-N 1 2 326.400 2.385 50 0 EEAALO CCn1ccnc1C[N@@H+](C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000067981898 215264882 /nfs/dbraw/zinc/26/48/82/215264882.db2.gz VDFINVYABXGESP-UHFFFAOYSA-N 1 2 326.400 2.385 50 0 EEAALO COc1ccc(Br)c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000037977563 213180332 /nfs/dbraw/zinc/18/03/32/213180332.db2.gz PFIZHCAKTAROMH-UHFFFAOYSA-N 1 2 338.205 2.463 50 0 EEAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000032851064 212856782 /nfs/dbraw/zinc/85/67/82/212856782.db2.gz XZAJEJMDYCCENC-UHFFFAOYSA-N 1 2 331.391 2.483 50 0 EEAALO COC(=O)c1coc(C[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 ZINC000072171602 216063353 /nfs/dbraw/zinc/06/33/53/216063353.db2.gz KEKRNWVRPGSRQT-HNNXBMFYSA-N 1 2 342.395 2.485 50 0 EEAALO COC(=O)c1coc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 ZINC000072171602 216063355 /nfs/dbraw/zinc/06/33/55/216063355.db2.gz KEKRNWVRPGSRQT-HNNXBMFYSA-N 1 2 342.395 2.485 50 0 EEAALO CSc1ccccc1NC(=O)C[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000072431926 216225549 /nfs/dbraw/zinc/22/55/49/216225549.db2.gz HWAMCAQXJQLAQB-AWEZNQCLSA-N 1 2 346.456 2.361 50 0 EEAALO CSc1ccccc1NC(=O)C[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000072431926 216225552 /nfs/dbraw/zinc/22/55/52/216225552.db2.gz HWAMCAQXJQLAQB-AWEZNQCLSA-N 1 2 346.456 2.361 50 0 EEAALO NC(=O)[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000027005159 212544182 /nfs/dbraw/zinc/54/41/82/212544182.db2.gz DXNZENWTJYEOBF-IBGZPJMESA-N 1 2 337.423 2.125 50 0 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COc1ccc2[nH]c(CCNC(=O)c3c(C)cc(C)[nH]c3=O)[nH+]c2c1 ZINC000584884048 468954333 /nfs/dbraw/zinc/95/43/33/468954333.db2.gz ZNWGAWCSABGFPN-UHFFFAOYSA-N 1 2 340.383 2.261 50 0 EEAALO O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584899530 468958981 /nfs/dbraw/zinc/95/89/81/468958981.db2.gz GKXMRYZVVGBRHZ-MRXNPFEDSA-N 1 2 345.443 2.388 50 0 EEAALO Cc1[nH]c2ccc(CNC(=O)N3CCC4(COC(=O)O4)CC3)cc2[nH+]1 ZINC000670470556 485655111 /nfs/dbraw/zinc/65/51/11/485655111.db2.gz XVUHELYLQKWAHD-UHFFFAOYSA-N 1 2 344.371 2.082 50 0 EEAALO Cc1[nH]c2cc(CNC(=O)N3CCC4(COC(=O)O4)CC3)ccc2[nH+]1 ZINC000670470556 485655118 /nfs/dbraw/zinc/65/51/18/485655118.db2.gz XVUHELYLQKWAHD-UHFFFAOYSA-N 1 2 344.371 2.082 50 0 EEAALO O=C(NCCC1=CCCCC1)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000012578687 788358163 /nfs/dbraw/zinc/35/81/63/788358163.db2.gz LOJPDALWXBLKFY-HNNXBMFYSA-N 1 2 333.432 2.252 50 0 EEAALO O=C(NCCC1=CCCCC1)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012578687 788358172 /nfs/dbraw/zinc/35/81/72/788358172.db2.gz LOJPDALWXBLKFY-HNNXBMFYSA-N 1 2 333.432 2.252 50 0 EEAALO C[N@H+](CC(=O)N(CCO)Cc1ccccc1Cl)Cc1cccnc1 ZINC000828753955 800833569 /nfs/dbraw/zinc/83/35/69/800833569.db2.gz CGNOUKRJKRCZOQ-UHFFFAOYSA-N 1 2 347.846 2.188 50 0 EEAALO C[N@@H+](CC(=O)N(CCO)Cc1ccccc1Cl)Cc1cccnc1 ZINC000828753955 800833575 /nfs/dbraw/zinc/83/35/75/800833575.db2.gz CGNOUKRJKRCZOQ-UHFFFAOYSA-N 1 2 347.846 2.188 50 0 EEAALO Cc1ccccc1[C@@]1(O)CCN(c2cc(NC3CC3)[nH+]c(N)n2)C1 ZINC000065419908 803048369 /nfs/dbraw/zinc/04/83/69/803048369.db2.gz FGSUKLRVDVRKLN-GOSISDBHSA-N 1 2 325.416 2.039 50 0 EEAALO Cc1ccccc1[C@@]1(O)CCN(c2cc(NC3CC3)nc(N)[nH+]2)C1 ZINC000065419908 803048374 /nfs/dbraw/zinc/04/83/74/803048374.db2.gz FGSUKLRVDVRKLN-GOSISDBHSA-N 1 2 325.416 2.039 50 0 EEAALO CC(=O)N(CC[NH+]1CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000053224747 214171122 /nfs/dbraw/zinc/17/11/22/214171122.db2.gz HRUBGZMAOSUVOK-FUHIMQAGSA-N 1 2 349.519 2.237 50 0 EEAALO Cc1cc(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)nc(N)[nH+]1 ZINC000004478244 210198066 /nfs/dbraw/zinc/19/80/66/210198066.db2.gz SKXIRHRQEMYFEA-CQSZACIVSA-N 1 2 337.305 2.233 50 0 EEAALO O=C1c2ccc(Br)cc2C(=O)N1CCCn1cc[nH+]c1 ZINC000004066920 210111454 /nfs/dbraw/zinc/11/14/54/210111454.db2.gz JDTYPTBXGYAMJL-UHFFFAOYSA-N 1 2 334.173 2.332 50 0 EEAALO Cc1nc2ncccn2c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000067541333 215159703 /nfs/dbraw/zinc/15/97/03/215159703.db2.gz OPGDZVUFOLDCTQ-UHFFFAOYSA-N 1 2 332.367 2.153 50 0 EEAALO C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3C(=O)[O-])CC2)C[C@H](C)O1 ZINC000067856219 215232762 /nfs/dbraw/zinc/23/27/62/215232762.db2.gz QBDGYQQCGFGCAB-GASCZTMLSA-N 1 2 332.444 2.458 50 0 EEAALO C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3C(=O)[O-])CC2)C[C@H](C)O1 ZINC000067856219 215232766 /nfs/dbraw/zinc/23/27/66/215232766.db2.gz QBDGYQQCGFGCAB-GASCZTMLSA-N 1 2 332.444 2.458 50 0 EEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1ccsc1 ZINC000038590543 213216239 /nfs/dbraw/zinc/21/62/39/213216239.db2.gz PQERFGWWJXUVCA-UHFFFAOYSA-N 1 2 333.432 2.439 50 0 EEAALO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000072149052 216036632 /nfs/dbraw/zinc/03/66/32/216036632.db2.gz IGADFCLIOLDNMG-AWEZNQCLSA-N 1 2 328.865 2.386 50 0 EEAALO O=S(=O)(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000072149052 216036636 /nfs/dbraw/zinc/03/66/36/216036636.db2.gz IGADFCLIOLDNMG-AWEZNQCLSA-N 1 2 328.865 2.386 50 0 EEAALO O=C(NCc1ccc2nonc2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426594767 241313847 /nfs/dbraw/zinc/31/38/47/241313847.db2.gz CGUDJAODUZAWOZ-GFCCVEGCSA-N 1 2 326.360 2.035 50 0 EEAALO O=C(CSc1ncccn1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000219261346 241371988 /nfs/dbraw/zinc/37/19/88/241371988.db2.gz BTJCDJXZKONVTN-OAHLLOKOSA-N 1 2 339.424 2.323 50 0 EEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccc(=O)[nH]c1 ZINC000020785574 212172680 /nfs/dbraw/zinc/17/26/80/212172680.db2.gz CMXUJQNDDSAUDG-UHFFFAOYSA-N 1 2 348.406 2.336 50 0 EEAALO COc1ccc(OC)c2c1CN(c1cc[nH+]c(C3CC3)n1)C[C@@H]2O ZINC000110123480 220017753 /nfs/dbraw/zinc/01/77/53/220017753.db2.gz HVICYTGQBGUWCZ-ZDUSSCGKSA-N 1 2 327.384 2.425 50 0 EEAALO CSCC(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091644533 218038272 /nfs/dbraw/zinc/03/82/72/218038272.db2.gz VMQTZEMHTAOBFG-UHFFFAOYSA-N 1 2 330.457 2.395 50 0 EEAALO CC(C)[N@H+](CC(N)=O)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000011472305 211218736 /nfs/dbraw/zinc/21/87/36/211218736.db2.gz LESNRIQKLAFXHK-AWEZNQCLSA-N 1 2 327.428 2.213 50 0 EEAALO CC(C)[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000011472305 211218739 /nfs/dbraw/zinc/21/87/39/211218739.db2.gz LESNRIQKLAFXHK-AWEZNQCLSA-N 1 2 327.428 2.213 50 0 EEAALO Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000097402477 219021746 /nfs/dbraw/zinc/02/17/46/219021746.db2.gz ODTNQXPMOPSBCW-GFCCVEGCSA-N 1 2 343.353 2.480 50 0 EEAALO Cc1cc(C)n([C@H](C)CNC(=O)CCc2cn3ccccc3[nH+]2)n1 ZINC000097568941 219035596 /nfs/dbraw/zinc/03/55/96/219035596.db2.gz HMFFUMBSBXIWHE-OAHLLOKOSA-N 1 2 325.416 2.458 50 0 EEAALO c1[nH]cc(Cc2nc([C@@H]3CCOC3)nn2C2Cc3ccccc3C2)[nH+]1 ZINC000097575113 219036566 /nfs/dbraw/zinc/03/65/66/219036566.db2.gz ZPSBHJBVNYQHGT-OAHLLOKOSA-N 1 2 335.411 2.436 50 0 EEAALO C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000299780622 258089564 /nfs/dbraw/zinc/08/95/64/258089564.db2.gz ATYUQHBAFAHBNQ-LBPRGKRZSA-N 1 2 327.388 2.289 50 0 EEAALO C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000299780622 258089565 /nfs/dbraw/zinc/08/95/65/258089565.db2.gz ATYUQHBAFAHBNQ-LBPRGKRZSA-N 1 2 327.388 2.289 50 0 EEAALO CCN(CC)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000012534718 258054602 /nfs/dbraw/zinc/05/46/02/258054602.db2.gz RJHMDRVDECQWIG-KRWDZBQOSA-N 1 2 346.475 2.024 50 0 EEAALO CCN(CC)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000012534718 258054603 /nfs/dbraw/zinc/05/46/03/258054603.db2.gz RJHMDRVDECQWIG-KRWDZBQOSA-N 1 2 346.475 2.024 50 0 EEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NCc1cccs1 ZINC000055008579 132192838 /nfs/dbraw/zinc/19/28/38/132192838.db2.gz SGAHDWZOTYOSNZ-UHFFFAOYSA-N 1 2 333.432 2.326 50 0 EEAALO COC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945390 132198235 /nfs/dbraw/zinc/19/82/35/132198235.db2.gz POYQWZQRLXLHRL-INIZCTEOSA-N 1 2 329.400 2.499 50 0 EEAALO O=C(Nc1ccccc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598150 132389867 /nfs/dbraw/zinc/38/98/67/132389867.db2.gz GXTHLOYBKRJPPH-UHFFFAOYSA-N 1 2 349.398 2.016 50 0 EEAALO CSc1nsc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000120790466 221675790 /nfs/dbraw/zinc/67/57/90/221675790.db2.gz JYVMVEUIFWDFTN-VIFPVBQESA-N 1 2 336.446 2.055 50 0 EEAALO CC1(C)CC2(CCO1)N1CC3(C)C[N@@H+]2CC(c2ccccc2)(C1)[C@@H]3O ZINC000032124180 278191396 /nfs/dbraw/zinc/19/13/96/278191396.db2.gz CWBHHARDSYXJIL-LZYMCNDNSA-N 1 2 342.483 2.222 50 0 biogenic EEAALO CC1(C)CC2(CCO1)N1CC3(C)C[N@H+]2CC(c2ccccc2)(C1)[C@@H]3O ZINC000032124180 278191399 /nfs/dbraw/zinc/19/13/99/278191399.db2.gz CWBHHARDSYXJIL-LZYMCNDNSA-N 1 2 342.483 2.222 50 0 biogenic EEAALO O=C(C[C@H]1COCCN1Cc1c[nH+]c2ccccn12)c1ccco1 ZINC000121087285 323324629 /nfs/dbraw/zinc/32/46/29/323324629.db2.gz AUZKEXSELTVWHP-AWEZNQCLSA-N 1 2 325.368 2.401 50 0 EEAALO COCCN(Cc1ccncc1)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)C ZINC000534672345 468273325 /nfs/dbraw/zinc/27/33/25/468273325.db2.gz DKDUHQARBCEJIO-MRXNPFEDSA-N 1 2 345.447 2.370 50 0 EEAALO CC1=C(C(N)=O)[C@H](c2ccccc2)N2NC(c3ccccc3)=NC2=[NH+]1 ZINC000000071631 462541456 /nfs/dbraw/zinc/54/14/56/462541456.db2.gz QCDGIMHKWAXAOU-INIZCTEOSA-N 1 2 331.379 2.124 50 0 EEAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@H](c2ccco2)C1 ZINC000128575202 462654152 /nfs/dbraw/zinc/65/41/52/462654152.db2.gz USPVQXNHZFIVRD-ZBFHGGJFSA-N 1 2 342.399 2.036 50 0 EEAALO O[C@H](C[N@H+](Cc1cccs1)C[C@H](O)C(F)(F)F)C(F)(F)F ZINC000005770560 462668221 /nfs/dbraw/zinc/66/82/21/462668221.db2.gz BYTZSGCYBPMHOF-DTORHVGOSA-N 1 2 337.285 2.397 50 0 EEAALO O[C@H](C[N@@H+](Cc1cccs1)C[C@H](O)C(F)(F)F)C(F)(F)F ZINC000005770560 462668225 /nfs/dbraw/zinc/66/82/25/462668225.db2.gz BYTZSGCYBPMHOF-DTORHVGOSA-N 1 2 337.285 2.397 50 0 EEAALO COCCN1CC[N@H+](Cc2cccc(C(F)(F)F)c2)CCC1=O ZINC000064158310 462688321 /nfs/dbraw/zinc/68/83/21/462688321.db2.gz RHLRNEQJCRVPJQ-UHFFFAOYSA-N 1 2 330.350 2.386 50 0 EEAALO COCCN1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)CCC1=O ZINC000064158310 462688327 /nfs/dbraw/zinc/68/83/27/462688327.db2.gz RHLRNEQJCRVPJQ-UHFFFAOYSA-N 1 2 330.350 2.386 50 0 EEAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)NCCc1ccccc1 ZINC000064794854 462719910 /nfs/dbraw/zinc/71/99/10/462719910.db2.gz FBFQWULDOMVTDS-UHFFFAOYSA-N 1 2 337.379 2.166 50 0 EEAALO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccs1 ZINC000007917511 462757486 /nfs/dbraw/zinc/75/74/86/462757486.db2.gz IOUQFDLINBGLSN-UHFFFAOYSA-N 1 2 349.481 2.396 50 0 EEAALO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccs1 ZINC000007917511 462757492 /nfs/dbraw/zinc/75/74/92/462757492.db2.gz IOUQFDLINBGLSN-UHFFFAOYSA-N 1 2 349.481 2.396 50 0 EEAALO Cc1ccc(NC(=O)CC(=O)NCC2(Cn3cc[nH+]c3)CC2)cc1 ZINC000065382289 462760819 /nfs/dbraw/zinc/76/08/19/462760819.db2.gz RMTVWJBIMKCAKT-UHFFFAOYSA-N 1 2 326.400 2.117 50 0 EEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000065445631 462772618 /nfs/dbraw/zinc/77/26/18/462772618.db2.gz DPPSKMAVDQEEOE-UHFFFAOYSA-N 1 2 346.406 2.458 50 0 EEAALO CC(=O)c1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cs1 ZINC000012718849 462864995 /nfs/dbraw/zinc/86/49/95/462864995.db2.gz NAQYCDGGVDGGOB-UHFFFAOYSA-N 1 2 345.424 2.112 50 0 EEAALO Cc1nn(C)cc1-c1ccnc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000048306464 462891398 /nfs/dbraw/zinc/89/13/98/462891398.db2.gz MMLSUEBOVYKHTN-UHFFFAOYSA-N 1 2 333.399 2.488 50 0 EEAALO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000014139192 462913462 /nfs/dbraw/zinc/91/34/62/462913462.db2.gz JPZZGRUNXPZEOG-UHFFFAOYSA-N 1 2 347.278 2.164 50 0 EEAALO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000014535747 462929215 /nfs/dbraw/zinc/92/92/15/462929215.db2.gz ROAOMRQSWPEKHR-UHFFFAOYSA-N 1 2 336.461 2.028 50 0 EEAALO 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/nfs/dbraw/zinc/65/36/46/485653646.db2.gz IQRKGTUNFLERFC-LBPRGKRZSA-N 1 2 342.428 2.189 50 0 EEAALO C[C@@H](CSc1nnnn1-c1ccccc1)[N@H+]1CCc2nocc2C1 ZINC000670468749 485653655 /nfs/dbraw/zinc/65/36/55/485653655.db2.gz IQRKGTUNFLERFC-LBPRGKRZSA-N 1 2 342.428 2.189 50 0 EEAALO CC(=O)N[C@H]1C[C@H](c2nnc(C[N@H+](C)Cc3ccc(C)s3)n2C)C1 ZINC000244840372 534671445 /nfs/dbraw/zinc/67/14/45/534671445.db2.gz UMBVRUHDRPRSCX-HDJSIYSDSA-N 1 2 347.488 2.199 50 0 EEAALO CC(=O)N[C@H]1C[C@H](c2nnc(C[N@@H+](C)Cc3ccc(C)s3)n2C)C1 ZINC000244840372 534671449 /nfs/dbraw/zinc/67/14/49/534671449.db2.gz UMBVRUHDRPRSCX-HDJSIYSDSA-N 1 2 347.488 2.199 50 0 EEAALO Cc1cnn(CC2CCN(C(=O)CC3=CSC4=[NH+]CCN34)CC2)c1 ZINC000299763544 526258846 /nfs/dbraw/zinc/25/88/46/526258846.db2.gz ONFOCWJYOLLCBQ-UHFFFAOYSA-N 1 2 345.472 2.080 50 0 EEAALO C[C@@H](c1ccncc1)N(C)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC001506408405 1114598300 /nfs/dbraw/zinc/59/83/00/1114598300.db2.gz RZJXOJHXYFPURJ-HNNXBMFYSA-N 1 2 325.412 2.496 50 0 EEAALO C[C@@H](c1ccncc1)N(C)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC001506408405 1114598304 /nfs/dbraw/zinc/59/83/04/1114598304.db2.gz RZJXOJHXYFPURJ-HNNXBMFYSA-N 1 2 325.412 2.496 50 0 EEAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Oc2ncccn2)CC1 ZINC000097742651 219052932 /nfs/dbraw/zinc/05/29/32/219052932.db2.gz XESOPMVVTKPHEJ-UHFFFAOYSA-N 1 2 349.394 2.346 50 0 EEAALO O=C1O[C@@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@@H]2N1C1CCCC1 ZINC000055153537 214280515 /nfs/dbraw/zinc/28/05/15/214280515.db2.gz RSDFDFCXPXWVSC-GOEBONIOSA-N 1 2 330.384 2.363 50 0 EEAALO O=C1O[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2N1C1CCCC1 ZINC000055153537 214280518 /nfs/dbraw/zinc/28/05/18/214280518.db2.gz RSDFDFCXPXWVSC-GOEBONIOSA-N 1 2 330.384 2.363 50 0 EEAALO COc1ccc2cc(C[N@H+](C)Cc3nc(C4CC4)no3)c(=O)[nH]c2c1 ZINC000067817726 215219734 /nfs/dbraw/zinc/21/97/34/215219734.db2.gz BKWDOCXXCILOTK-UHFFFAOYSA-N 1 2 340.383 2.429 50 0 EEAALO COc1ccc2cc(C[N@@H+](C)Cc3nc(C4CC4)no3)c(=O)[nH]c2c1 ZINC000067817726 215219736 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C[N@@H+](CC(=O)NC[C@H]1CCOc2ccccc2C1)Cc1ccncc1 ZINC000095372419 463070476 /nfs/dbraw/zinc/07/04/76/463070476.db2.gz CBOKLUXGTQTFRB-KRWDZBQOSA-N 1 2 339.439 2.271 50 0 EEAALO CN(Cc1ccsc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026383330 463160823 /nfs/dbraw/zinc/16/08/23/463160823.db2.gz JYEOVTDRXSPBTF-UHFFFAOYSA-N 1 2 346.456 2.321 50 0 EEAALO C[NH+]1CCN(C2(CNC(=O)COc3ccccc3)CCCCC2)CC1 ZINC000027742203 463202903 /nfs/dbraw/zinc/20/29/03/463202903.db2.gz YNQXGMWRVNQQES-UHFFFAOYSA-N 1 2 345.487 2.132 50 0 EEAALO O=C(CCCn1cncn1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054059924 463206070 /nfs/dbraw/zinc/20/60/70/463206070.db2.gz ZVMRSTCYVODHMV-UHFFFAOYSA-N 1 2 347.850 2.056 50 0 EEAALO COc1ccc(Cc2nnc3sc(Cn4cc[nH+]c4)nn23)cc1 ZINC000096231927 463223721 /nfs/dbraw/zinc/22/37/21/463223721.db2.gz HRUZFJHKOHREPN-UHFFFAOYSA-N 1 2 326.385 2.030 50 0 EEAALO C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1csc(C[NH+](C)C)n1 ZINC000055358816 463312042 /nfs/dbraw/zinc/31/20/42/463312042.db2.gz DQGGTJPQFCILNI-CQSZACIVSA-N 1 2 347.484 2.476 50 0 EEAALO O=C(C1CCCCC1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038530375 463447357 /nfs/dbraw/zinc/44/73/57/463447357.db2.gz QUXXKFJAYZTFHS-UHFFFAOYSA-N 1 2 343.475 2.306 50 0 EEAALO O=C(C1CCCCC1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038530375 463447361 /nfs/dbraw/zinc/44/73/61/463447361.db2.gz QUXXKFJAYZTFHS-UHFFFAOYSA-N 1 2 343.475 2.306 50 0 EEAALO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000082099656 463514106 /nfs/dbraw/zinc/51/41/06/463514106.db2.gz BBLFKSUPWXPLGX-UHFFFAOYSA-N 1 2 335.411 2.083 50 0 EEAALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000082099656 463514109 /nfs/dbraw/zinc/51/41/09/463514109.db2.gz BBLFKSUPWXPLGX-UHFFFAOYSA-N 1 2 335.411 2.083 50 0 EEAALO CCc1nc(CN(C)[C@@H]2CC[N@@H+]([C@H](C)c3nc(C4CC4)no3)C2)no1 ZINC000107056326 463557950 /nfs/dbraw/zinc/55/79/50/463557950.db2.gz DZNCXMRJUJWTGH-DGCLKSJQSA-N 1 2 346.435 2.160 50 0 EEAALO CCc1nc(CN(C)[C@@H]2CC[N@H+]([C@H](C)c3nc(C4CC4)no3)C2)no1 ZINC000107056326 463557958 /nfs/dbraw/zinc/55/79/58/463557958.db2.gz DZNCXMRJUJWTGH-DGCLKSJQSA-N 1 2 346.435 2.160 50 0 EEAALO O=C(Cc1cccs1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107362664 463567255 /nfs/dbraw/zinc/56/72/55/463567255.db2.gz JFFAAUVXYVSQOA-QZTJIDSGSA-N 1 2 342.464 2.402 50 0 EEAALO O=C(Cc1cccs1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107362664 463567258 /nfs/dbraw/zinc/56/72/58/463567258.db2.gz JFFAAUVXYVSQOA-QZTJIDSGSA-N 1 2 342.464 2.402 50 0 EEAALO CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000108361479 463602128 /nfs/dbraw/zinc/60/21/28/463602128.db2.gz NQGGJQQXGRTFFF-GVDBMIGSSA-N 1 2 342.443 2.496 50 0 EEAALO C[N@H+](CC(=O)NCCCc1nc2ccccc2o1)Cc1ccncc1 ZINC000219771547 464111553 /nfs/dbraw/zinc/11/15/53/464111553.db2.gz SQWBFCKUUGVSLK-UHFFFAOYSA-N 1 2 338.411 2.404 50 0 EEAALO C[N@@H+](CC(=O)NCCCc1nc2ccccc2o1)Cc1ccncc1 ZINC000219771547 464111557 /nfs/dbraw/zinc/11/15/57/464111557.db2.gz SQWBFCKUUGVSLK-UHFFFAOYSA-N 1 2 338.411 2.404 50 0 EEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](Oc2ccncn2)C1 ZINC000575611360 468148783 /nfs/dbraw/zinc/14/87/83/468148783.db2.gz VSFRBYXBHUXSOM-QGZVFWFLSA-N 1 2 349.394 2.015 50 0 EEAALO CCCc1cc(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)n2cccc2)on1 ZINC000670456477 485649854 /nfs/dbraw/zinc/64/98/54/485649854.db2.gz NTWKGBJKWQEQQM-MRXNPFEDSA-N 1 2 327.388 2.252 50 0 EEAALO CCCc1cc(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)n2cccc2)on1 ZINC000670456477 485649865 /nfs/dbraw/zinc/64/98/65/485649865.db2.gz NTWKGBJKWQEQQM-MRXNPFEDSA-N 1 2 327.388 2.252 50 0 EEAALO O=C(c1ccc2c(c1)OCO2)N1CCC[N@H+](Cc2cncs2)CC1 ZINC001772705406 1179290168 /nfs/dbraw/zinc/29/01/68/1179290168.db2.gz WVQVWBXCKOORFR-UHFFFAOYSA-N 1 2 345.424 2.220 50 0 EEAALO O=C(c1ccc2c(c1)OCO2)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC001772705406 1179290172 /nfs/dbraw/zinc/29/01/72/1179290172.db2.gz WVQVWBXCKOORFR-UHFFFAOYSA-N 1 2 345.424 2.220 50 0 EEAALO CC1(NC(=O)N2CC[NH+](Cc3ccccc3CO)CC2)CCCC1 ZINC000828831876 800853168 /nfs/dbraw/zinc/85/31/68/800853168.db2.gz FHFKWIRTSGMZRK-UHFFFAOYSA-N 1 2 331.460 2.339 50 0 EEAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCO2 ZINC000019334278 202004181 /nfs/dbraw/zinc/00/41/81/202004181.db2.gz SGZMSLAKUPRGEI-UHFFFAOYSA-N 1 2 340.379 2.500 50 0 EEAALO COc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(OC)c1 ZINC000019552410 202012219 /nfs/dbraw/zinc/01/22/19/202012219.db2.gz JOTYGPRTUGULGF-UHFFFAOYSA-N 1 2 327.428 2.417 50 0 EEAALO COc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(OC)c1 ZINC000019552410 202012221 /nfs/dbraw/zinc/01/22/21/202012221.db2.gz JOTYGPRTUGULGF-UHFFFAOYSA-N 1 2 327.428 2.417 50 0 EEAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000019841661 202023375 /nfs/dbraw/zinc/02/33/75/202023375.db2.gz QXHLNCZLBPJOCW-UHFFFAOYSA-N 1 2 325.412 2.438 50 0 EEAALO CCOC(=O)C1CC[NH+](Cc2cnc(NC(=O)OC)s2)CC1 ZINC000019857226 202023598 /nfs/dbraw/zinc/02/35/98/202023598.db2.gz XSANVUJIBYURIF-UHFFFAOYSA-N 1 2 327.406 2.097 50 0 EEAALO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc(Br)cc1 ZINC000019939274 202028124 /nfs/dbraw/zinc/02/81/24/202028124.db2.gz OJHDVKLBEGVLPZ-NSHDSACASA-N 1 2 328.206 2.327 50 0 EEAALO Cn1c2ccccc2c2cc(C(=O)N3CC[NH+](CCO)CC3)sc21 ZINC000020219050 202035281 /nfs/dbraw/zinc/03/52/81/202035281.db2.gz VSFDMARLKYYWMU-UHFFFAOYSA-N 1 2 343.452 2.143 50 0 EEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000020249282 202036762 /nfs/dbraw/zinc/03/67/62/202036762.db2.gz VYANMNXSQVICCD-UHFFFAOYSA-N 1 2 329.400 2.045 50 0 EEAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000020083012 202031812 /nfs/dbraw/zinc/03/18/12/202031812.db2.gz SXONHAOPCABKBQ-GASCZTMLSA-N 1 2 341.455 2.470 50 0 EEAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000020083012 202031815 /nfs/dbraw/zinc/03/18/15/202031815.db2.gz SXONHAOPCABKBQ-GASCZTMLSA-N 1 2 341.455 2.470 50 0 EEAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3ccc(OC)cc23)CC1 ZINC000020446854 202043298 /nfs/dbraw/zinc/04/32/98/202043298.db2.gz JPPPCUHGFAHLKJ-UHFFFAOYSA-N 1 2 346.383 2.076 50 0 EEAALO Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(O)CC3)s2)c1 ZINC000022240970 202080917 /nfs/dbraw/zinc/08/09/17/202080917.db2.gz BDPLVBVCLDRRMM-UHFFFAOYSA-N 1 2 345.468 2.438 50 0 EEAALO CCN1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000023257114 202101080 /nfs/dbraw/zinc/10/10/80/202101080.db2.gz UHVWCIOTEISHGT-CYBMUJFWSA-N 1 2 333.259 2.371 50 0 EEAALO O=C(CN1CC[NH+](Cc2ccccc2F)CC1)NCc1cccs1 ZINC000023259676 202101362 /nfs/dbraw/zinc/10/13/62/202101362.db2.gz LFJISPWQTRTIJD-UHFFFAOYSA-N 1 2 347.459 2.321 50 0 EEAALO C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000024905438 202123204 /nfs/dbraw/zinc/12/32/04/202123204.db2.gz XIHLSDSGRBKTQE-LLVKDONJSA-N 1 2 341.396 2.086 50 0 EEAALO COc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000025129007 202126943 /nfs/dbraw/zinc/12/69/43/202126943.db2.gz SQECXCUAHKTFOC-UHFFFAOYSA-N 1 2 340.427 2.118 50 0 EEAALO CC(=O)N1CCc2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)ccc21 ZINC000025010458 202125252 /nfs/dbraw/zinc/12/52/52/202125252.db2.gz WEPGHDFIYYPYAM-UHFFFAOYSA-N 1 2 347.378 2.429 50 0 EEAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000026372112 202141325 /nfs/dbraw/zinc/14/13/25/202141325.db2.gz DRVFHKYGVARCAT-LLVKDONJSA-N 1 2 330.384 2.419 50 0 EEAALO COc1cccc([C@H](NC(=O)c2cnc(C)cn2)c2[nH+]ccn2C)c1 ZINC000029987219 202192065 /nfs/dbraw/zinc/19/20/65/202192065.db2.gz CNMOEEUKBXTKPM-INIZCTEOSA-N 1 2 337.383 2.047 50 0 EEAALO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036256585 202319013 /nfs/dbraw/zinc/31/90/13/202319013.db2.gz VKHMMVFHEQHWFJ-GOSISDBHSA-N 1 2 343.471 2.058 50 0 EEAALO O=C(CSc1ccc(-n2cc[nH+]c2)nn1)N1CCc2ccccc21 ZINC000070688590 202337727 /nfs/dbraw/zinc/33/77/27/202337727.db2.gz QIFRFGHFENQADS-UHFFFAOYSA-N 1 2 337.408 2.344 50 0 EEAALO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072434950 216229571 /nfs/dbraw/zinc/22/95/71/216229571.db2.gz IOBMFEQKTVDFGI-HNNXBMFYSA-N 1 2 326.828 2.053 50 0 EEAALO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072434950 216229572 /nfs/dbraw/zinc/22/95/72/216229572.db2.gz IOBMFEQKTVDFGI-HNNXBMFYSA-N 1 2 326.828 2.053 50 0 EEAALO Nc1n[nH]c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1Cl ZINC000215751936 241142229 /nfs/dbraw/zinc/14/22/29/241142229.db2.gz NDNBYQYCDQZDDG-LLVKDONJSA-N 1 2 330.779 2.013 50 0 EEAALO C[C@@H](C(=O)Nc1nncs1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC000244608568 243043255 /nfs/dbraw/zinc/04/32/55/243043255.db2.gz FEUNGEMAWNGYRX-NSHDSACASA-N 1 2 332.429 2.450 50 0 EEAALO CCNC(=O)C[NH+]1CCN(Cc2[nH]c3c(cccc3Cl)c2C)CC1 ZINC000072135170 203166151 /nfs/dbraw/zinc/16/61/51/203166151.db2.gz LKTYGEJRUIOKMY-UHFFFAOYSA-N 1 2 348.878 2.383 50 0 EEAALO Cc1cc(C)n(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000072988208 203252378 /nfs/dbraw/zinc/25/23/78/203252378.db2.gz ODQYWCLWCHJRSR-UHFFFAOYSA-N 1 2 346.862 2.498 50 0 EEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)OCC(C)(C)C)C1 ZINC000077376406 203383490 /nfs/dbraw/zinc/38/34/90/203383490.db2.gz ITJQGPSTILTOHV-ZDUSSCGKSA-N 1 2 337.468 2.239 50 0 EEAALO O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077407607 203387021 /nfs/dbraw/zinc/38/70/21/203387021.db2.gz LAUSFINGGYJZJU-AWEZNQCLSA-N 1 2 334.383 2.282 50 0 EEAALO O=C(CC1=CSC2=[NH+]CCN12)NC[C@@H]1COc2ccccc2C1 ZINC000102303315 204035453 /nfs/dbraw/zinc/03/54/53/204035453.db2.gz JOZHUGALLYCRMU-GFCCVEGCSA-N 1 2 329.425 2.004 50 0 EEAALO C[N@H+](CC(=O)N1CC(OCc2ccccc2F)C1)Cc1ccccn1 ZINC000299770399 258083778 /nfs/dbraw/zinc/08/37/78/258083778.db2.gz SCAODBDXFBIIBH-UHFFFAOYSA-N 1 2 343.402 2.080 50 0 EEAALO C[N@@H+](CC(=O)N1CC(OCc2ccccc2F)C1)Cc1ccccn1 ZINC000299770399 258083779 /nfs/dbraw/zinc/08/37/79/258083779.db2.gz SCAODBDXFBIIBH-UHFFFAOYSA-N 1 2 343.402 2.080 50 0 EEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)C1CC1 ZINC000299785670 258093136 /nfs/dbraw/zinc/09/31/36/258093136.db2.gz LDYPKMHKFIIDBB-LLVKDONJSA-N 1 2 327.310 2.054 50 0 EEAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCc2cccnc2)CC1 ZINC000034684201 132388149 /nfs/dbraw/zinc/38/81/49/132388149.db2.gz 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/nfs/dbraw/zinc/08/67/64/258086764.db2.gz BFRPJYHNFXACJI-CYBMUJFWSA-N 1 2 346.456 2.157 50 0 EEAALO CSCc1noc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)n1 ZINC000299764820 258079916 /nfs/dbraw/zinc/07/99/16/258079916.db2.gz MLVYDJIUNSPYDA-INIZCTEOSA-N 1 2 334.445 2.273 50 0 EEAALO C[C@H]1C[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H](C)O1 ZINC000020082086 278429744 /nfs/dbraw/zinc/42/97/44/278429744.db2.gz YWALBOPAKNALKZ-KBPBESRZSA-N 1 2 327.428 2.162 50 0 EEAALO Cc1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](C)CC4)nc3C2)cc1 ZINC000002241021 462591644 /nfs/dbraw/zinc/59/16/44/462591644.db2.gz GCDUNAZGXCDEII-INIZCTEOSA-N 1 2 336.439 2.450 50 0 EEAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C(N)=O)cc1 ZINC000007687168 462745561 /nfs/dbraw/zinc/74/55/61/462745561.db2.gz YCUOCFDRBGZIHR-UHFFFAOYSA-N 1 2 347.440 2.316 50 0 EEAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C(N)=O)cc1 ZINC000007687168 462745569 /nfs/dbraw/zinc/74/55/69/462745569.db2.gz YCUOCFDRBGZIHR-UHFFFAOYSA-N 1 2 347.440 2.316 50 0 EEAALO O=C(CN[C@H]1COC[C@@H]1[NH+]1CCCCC1)NC1CCCCCCC1 ZINC000065491509 462781083 /nfs/dbraw/zinc/78/10/83/462781083.db2.gz IHGKGGKHFWZVLW-ROUUACIJSA-N 1 2 337.508 2.058 50 0 EEAALO Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000012541384 462855162 /nfs/dbraw/zinc/85/51/62/462855162.db2.gz CIGIRBYALDLZDG-CYBMUJFWSA-N 1 2 326.356 2.425 50 0 EEAALO C[N@H+](CCN1CCOC1=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012976794 462878473 /nfs/dbraw/zinc/87/84/73/462878473.db2.gz OBRVGJPZLZSCAY-UHFFFAOYSA-N 1 2 346.214 2.316 50 0 EEAALO C[N@@H+](CCN1CCOC1=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012976794 462878476 /nfs/dbraw/zinc/87/84/76/462878476.db2.gz OBRVGJPZLZSCAY-UHFFFAOYSA-N 1 2 346.214 2.316 50 0 EEAALO COCC1(C(=O)N[C@H]2C[N@H+](Cc3cc(C)[nH]n3)C[C@@H]2C(C)C)CCC1 ZINC000091468847 462883276 /nfs/dbraw/zinc/88/32/76/462883276.db2.gz PFKQJICFMLCAKS-SJORKVTESA-N 1 2 348.491 2.107 50 0 EEAALO COCC1(C(=O)N[C@H]2C[N@@H+](Cc3cc(C)[nH]n3)C[C@@H]2C(C)C)CCC1 ZINC000091468847 462883279 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C[NH+]1CCN(NC(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC000003305425 210002526 /nfs/dbraw/zinc/00/25/26/210002526.db2.gz DDHGQDZRIDGFLN-UHFFFAOYSA-N 1 2 332.445 2.450 50 0 EEAALO Cc1cccnc1C(=O)NCC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000067561927 215162373 /nfs/dbraw/zinc/16/23/73/215162373.db2.gz FPXUGRXGZGWKEN-INIZCTEOSA-N 1 2 329.400 2.004 50 0 EEAALO Cc1cccnc1C(=O)NCC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000067561927 215162376 /nfs/dbraw/zinc/16/23/76/215162376.db2.gz FPXUGRXGZGWKEN-INIZCTEOSA-N 1 2 329.400 2.004 50 0 EEAALO Cn1ccc(NC(=O)C[N@@H+]2CCc3onc(-c4ccccc4)c3C2)n1 ZINC000067833571 215223968 /nfs/dbraw/zinc/22/39/68/215223968.db2.gz DTEYQBWYJHQWHO-UHFFFAOYSA-N 1 2 337.383 2.072 50 0 EEAALO Cn1ccc(NC(=O)C[N@H+]2CCc3onc(-c4ccccc4)c3C2)n1 ZINC000067833571 215223972 /nfs/dbraw/zinc/22/39/72/215223972.db2.gz DTEYQBWYJHQWHO-UHFFFAOYSA-N 1 2 337.383 2.072 50 0 EEAALO O=C1CN(c2ccc(NCc3ccccc3OC(F)F)[nH+]c2)CCN1 ZINC000685939827 539988815 /nfs/dbraw/zinc/98/88/15/539988815.db2.gz TYJVSWFSIVSJED-UHFFFAOYSA-N 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0 EEAALO Cc1[nH]sc(=[NH2+])c1C(=O)OCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000010213994 462814470 /nfs/dbraw/zinc/81/44/70/462814470.db2.gz ZCAPYWFKDBSLDX-JTQLQIEISA-N 1 2 345.424 2.389 50 0 EEAALO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1(Cl)Cl ZINC000012224609 462848996 /nfs/dbraw/zinc/84/89/96/462848996.db2.gz KHKZNPMWXVGTQJ-CQSZACIVSA-N 1 2 344.242 2.118 50 0 EEAALO Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)co1 ZINC000091321249 462873119 /nfs/dbraw/zinc/87/31/19/462873119.db2.gz OWOALRKNAYVLHN-SWLSCSKDSA-N 1 2 332.429 2.063 50 0 EEAALO Cc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)co1 ZINC000091321249 462873124 /nfs/dbraw/zinc/87/31/24/462873124.db2.gz OWOALRKNAYVLHN-SWLSCSKDSA-N 1 2 332.429 2.063 50 0 EEAALO Cc1cc(C)c(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)c1 ZINC000013013143 462881697 /nfs/dbraw/zinc/88/16/97/462881697.db2.gz HXIQJYOVOOTFGF-UHFFFAOYSA-N 1 2 334.460 2.218 50 0 EEAALO O=C1OCC[C@@H]1Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000013231522 462887630 /nfs/dbraw/zinc/88/76/30/462887630.db2.gz NZECOLCKSCKTRN-LBPRGKRZSA-N 1 2 330.344 2.362 50 0 EEAALO CCc1[nH+]c2ccccc2n1CC(=O)OCc1ccc(C(N)=O)cc1 ZINC000016118916 462970576 /nfs/dbraw/zinc/97/05/76/462970576.db2.gz DTRSDVRYIPOBDA-UHFFFAOYSA-N 1 2 337.379 2.441 50 0 EEAALO CCNC(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077338043 462971532 /nfs/dbraw/zinc/97/15/32/462971532.db2.gz JNDOMDKJFYISSX-UHFFFAOYSA-N 1 2 346.479 2.118 50 0 EEAALO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000017071230 462994664 /nfs/dbraw/zinc/99/46/64/462994664.db2.gz YAWJLPNPSKGNDN-UHFFFAOYSA-N 1 2 340.383 2.207 50 0 EEAALO O=C(NCCOc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018085871 463005948 /nfs/dbraw/zinc/00/59/48/463005948.db2.gz DBNBUDCMAICKNC-UHFFFAOYSA-N 1 2 340.423 2.328 50 0 EEAALO CCCc1n[nH]cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000077565886 463006727 /nfs/dbraw/zinc/00/67/27/463006727.db2.gz BEPGLQPHUSQIMD-UHFFFAOYSA-N 1 2 342.443 2.199 50 0 EEAALO CC(C)NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 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CCCOCC[NH+]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091288551 462870157 /nfs/dbraw/zinc/87/01/57/462870157.db2.gz MMWIFTWOXJKULK-UHFFFAOYSA-N 1 2 343.471 2.381 50 0 EEAALO CCCOCCN1CC[NH+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091288551 462870162 /nfs/dbraw/zinc/87/01/62/462870162.db2.gz MMWIFTWOXJKULK-UHFFFAOYSA-N 1 2 343.471 2.381 50 0 EEAALO OC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000015307027 462947503 /nfs/dbraw/zinc/94/75/03/462947503.db2.gz YHZFBNUCSQLPPT-UHFFFAOYSA-N 1 2 328.206 2.177 50 0 EEAALO Cc1cc2c(cc1C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)OCCO2 ZINC000077535263 463002030 /nfs/dbraw/zinc/00/20/30/463002030.db2.gz CZXQIDQMSGLQTF-HNNXBMFYSA-N 1 2 332.444 2.455 50 0 EEAALO Cc1cc2c(cc1C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)OCCO2 ZINC000077535263 463002035 /nfs/dbraw/zinc/00/20/35/463002035.db2.gz CZXQIDQMSGLQTF-HNNXBMFYSA-N 1 2 332.444 2.455 50 0 EEAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000018149219 463006777 /nfs/dbraw/zinc/00/67/77/463006777.db2.gz 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/nfs/dbraw/zinc/36/38/85/463363885.db2.gz JBVBBCFHVXTSEI-ONEGZZNKSA-N 1 2 328.416 2.218 50 0 EEAALO Cc1cc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000032806422 463396375 /nfs/dbraw/zinc/39/63/75/463396375.db2.gz FOZZWUJOHQKVDS-UHFFFAOYSA-N 1 2 348.838 2.384 50 0 EEAALO CCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000082114862 463515950 /nfs/dbraw/zinc/51/59/50/463515950.db2.gz ZAPSMUIMVDOQME-UHFFFAOYSA-N 1 2 335.452 2.137 50 0 EEAALO O=C(CCCn1cccn1)NC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252482703 464961607 /nfs/dbraw/zinc/96/16/07/464961607.db2.gz DMGFVUQAXBYKNH-INIZCTEOSA-N 1 2 327.432 2.091 50 0 EEAALO CN1CCCc2cc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)ccc21 ZINC000020203390 1229482909 /nfs/dbraw/zinc/48/29/09/1229482909.db2.gz IARKJHIFSGXDRG-SFHVURJKSA-N 1 2 343.471 2.006 50 0 EEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000618255509 797648835 /nfs/dbraw/zinc/64/88/35/797648835.db2.gz RVPRQNOIUKTHNP-HNNXBMFYSA-N 1 2 339.399 2.200 50 0 EEAALO 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/nfs/dbraw/zinc/35/36/34/1121353634.db2.gz SGNQCBNRMSJJIS-UHFFFAOYSA-N 1 2 341.459 2.495 50 0 EEAALO Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=[NH+][C@@H]2c1ccco1 ZINC000004488227 210201009 /nfs/dbraw/zinc/20/10/09/210201009.db2.gz LJHGTJJVTJCLSA-INIZCTEOSA-N 1 2 335.367 2.263 50 0 EEAALO O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000004025245 210101356 /nfs/dbraw/zinc/10/13/56/210101356.db2.gz RNTIRMZJFNNVHS-AWEZNQCLSA-N 1 2 335.791 2.242 50 0 EEAALO CN1C=C(C(=O)N2CCCC2)C(=O)C1c1[nH+]c2cc(N)ccc2n1C ZINC000036369986 213091405 /nfs/dbraw/zinc/09/14/05/213091405.db2.gz CFVVEZPTHWGCRB-UHFFFAOYSA-N 1 2 339.399 2.103 50 0 biogenic EEAALO Cn1cc(C2=CC[N@H+](CC(=O)Nc3ccc(F)cc3F)CC2)cn1 ZINC000035403402 213026033 /nfs/dbraw/zinc/02/60/33/213026033.db2.gz UKUKVWPTZLAURP-UHFFFAOYSA-N 1 2 332.354 2.426 50 0 EEAALO Cn1cc(C2=CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)CC2)cn1 ZINC000035403402 213026034 /nfs/dbraw/zinc/02/60/34/213026034.db2.gz UKUKVWPTZLAURP-UHFFFAOYSA-N 1 2 332.354 2.426 50 0 EEAALO Cc1nn(CCO)c(C)c1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072156747 216045733 /nfs/dbraw/zinc/04/57/33/216045733.db2.gz MMFXWNYPFLZTCT-UHFFFAOYSA-N 1 2 339.443 2.310 50 0 EEAALO Cc1nn(CCO)c(C)c1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072156747 216045734 /nfs/dbraw/zinc/04/57/34/216045734.db2.gz MMFXWNYPFLZTCT-UHFFFAOYSA-N 1 2 339.443 2.310 50 0 EEAALO COCc1nc2c(cnn2C)c(NCc2c[nH+]c3c(C)cccn23)n1 ZINC000072163851 216053487 /nfs/dbraw/zinc/05/34/87/216053487.db2.gz FEIYHUFHFXSNFM-UHFFFAOYSA-N 1 2 337.387 2.078 50 0 EEAALO COC(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072448100 216237134 /nfs/dbraw/zinc/23/71/34/216237134.db2.gz ZVSNCUKZOZQUMZ-IBGZPJMESA-N 1 2 330.428 2.064 50 0 EEAALO COC(=O)C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072448100 216237135 /nfs/dbraw/zinc/23/71/35/216237135.db2.gz ZVSNCUKZOZQUMZ-IBGZPJMESA-N 1 2 330.428 2.064 50 0 EEAALO C=C1c2ccccc2C(=O)N1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000023754422 212394374 /nfs/dbraw/zinc/39/43/74/212394374.db2.gz 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/nfs/dbraw/zinc/02/39/06/219023906.db2.gz WUBDZSATPQUTNX-UHFFFAOYSA-N 1 2 338.415 2.296 50 0 EEAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)nc2sccn21 ZINC000003537865 462623120 /nfs/dbraw/zinc/62/31/20/462623120.db2.gz GGNLNTXDGAFACS-UHFFFAOYSA-N 1 2 326.425 2.078 50 0 EEAALO O=C(C[N@@H+]1CCc2cc3c(cc2C1)OCCCO3)NCc1ccco1 ZINC000005350715 462655550 /nfs/dbraw/zinc/65/55/50/462655550.db2.gz WXDMLIBBCKZGIA-UHFFFAOYSA-N 1 2 342.395 2.115 50 0 EEAALO O=C(C[N@H+]1CCc2cc3c(cc2C1)OCCCO3)NCc1ccco1 ZINC000005350715 462655559 /nfs/dbraw/zinc/65/55/59/462655559.db2.gz WXDMLIBBCKZGIA-UHFFFAOYSA-N 1 2 342.395 2.115 50 0 EEAALO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000065372464 462759960 /nfs/dbraw/zinc/75/99/60/462759960.db2.gz AAUSNCPYADDSLI-LJQANCHMSA-N 1 2 345.464 2.492 50 0 EEAALO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000065372464 462759965 /nfs/dbraw/zinc/75/99/65/462759965.db2.gz AAUSNCPYADDSLI-LJQANCHMSA-N 1 2 345.464 2.492 50 0 EEAALO O=C(CCc1cn2ccccc2[nH+]1)N[C@H]1CC(=O)Nc2ccccc21 ZINC000065380449 462761521 /nfs/dbraw/zinc/76/15/21/462761521.db2.gz HETVJLAWMKQBLN-INIZCTEOSA-N 1 2 334.379 2.467 50 0 EEAALO O=C(c1cc(-n2cccc2)ccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000090608778 462802594 /nfs/dbraw/zinc/80/25/94/462802594.db2.gz XSTUVJIIDBQCKE-UHFFFAOYSA-N 1 2 333.395 2.230 50 0 EEAALO CC(C)(C)CN1C[C@@H](NC(=O)CCc2cn3ccccc3[nH+]2)CC1=O ZINC000012447266 462852799 /nfs/dbraw/zinc/85/27/99/462852799.db2.gz YZTLUIMDTARXBR-HNNXBMFYSA-N 1 2 342.443 2.030 50 0 EEAALO O=C(c1cc(C2CC2)n[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000048260513 462882560 /nfs/dbraw/zinc/88/25/60/462882560.db2.gz VUGBCASGHOBVAR-UHFFFAOYSA-N 1 2 340.427 2.124 50 0 EEAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccn3C)CC2)c1 ZINC000020806951 463030658 /nfs/dbraw/zinc/03/06/58/463030658.db2.gz LZNFNYXYPJBWSK-UHFFFAOYSA-N 1 2 329.444 2.360 50 0 EEAALO O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024002164 463075033 /nfs/dbraw/zinc/07/50/33/463075033.db2.gz 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Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000023259977 212364830 /nfs/dbraw/zinc/36/48/30/212364830.db2.gz UOZQKEWTZPNUNJ-CQSZACIVSA-N 1 2 346.406 2.267 50 0 EEAALO O=C(NCC1(CO)CCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426633891 241319426 /nfs/dbraw/zinc/31/94/26/241319426.db2.gz LYDZTGAHEXEAGH-XBXARRHUSA-N 1 2 343.471 2.190 50 0 EEAALO CCn1c[nH+]cc1CNC(=O)Nc1ccc2c(c1)oc(=O)n2CC ZINC000426739119 241333733 /nfs/dbraw/zinc/33/37/33/241333733.db2.gz WHKPQLQGYQSFQF-UHFFFAOYSA-N 1 2 329.360 2.153 50 0 EEAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN([C@H]2CCOC2=O)CC1 ZINC000021313196 212219637 /nfs/dbraw/zinc/21/96/37/212219637.db2.gz WBAMHXVMAWHUSZ-OCCSQVGLSA-N 1 2 331.441 2.290 50 0 EEAALO O=c1nc(CN2CC[NH+](Cc3cccs3)CC2)[nH]c2ccsc21 ZINC000019540206 212041152 /nfs/dbraw/zinc/04/11/52/212041152.db2.gz CWFHVVLMSKLXIK-UHFFFAOYSA-N 1 2 346.481 2.364 50 0 EEAALO C[C@@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccc(Br)cc1 ZINC000019360935 212021574 /nfs/dbraw/zinc/02/15/74/212021574.db2.gz 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/nfs/dbraw/zinc/16/74/32/211167432.db2.gz PKVFAEDUNYRYNH-UHFFFAOYSA-N 1 2 345.424 2.463 50 0 EEAALO CCOc1ncccc1CNC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095370799 218304512 /nfs/dbraw/zinc/30/45/12/218304512.db2.gz NMLLQKOSUNYPAG-QGZVFWFLSA-N 1 2 340.427 2.329 50 0 EEAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCCCn1ccnn1 ZINC000095391383 218322856 /nfs/dbraw/zinc/32/28/56/218322856.db2.gz VFEXEAPSRRQTRS-HNNXBMFYSA-N 1 2 340.431 2.348 50 0 EEAALO Cc1cc2[nH]c(CCNC(=O)COC[C@H]3CCCO3)[nH+]c2cc1C ZINC000299787792 258094358 /nfs/dbraw/zinc/09/43/58/258094358.db2.gz ZSEUPCQYCNGBOO-CQSZACIVSA-N 1 2 331.416 2.034 50 0 EEAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 ZINC000007976162 258053221 /nfs/dbraw/zinc/05/32/21/258053221.db2.gz DHWVRCODMOPKKH-UHFFFAOYSA-N 1 2 347.440 2.308 50 0 EEAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 ZINC000007976162 258053222 /nfs/dbraw/zinc/05/32/22/258053222.db2.gz DHWVRCODMOPKKH-UHFFFAOYSA-N 1 2 347.440 2.308 50 0 EEAALO CCC[C@@H](NC(=O)c1c(C)cc(C)n(CC)c1=O)c1[nH+]ccn1C ZINC000299762563 258079077 /nfs/dbraw/zinc/07/90/77/258079077.db2.gz NPYCLMJMQMQVNH-CQSZACIVSA-N 1 2 330.432 2.490 50 0 EEAALO COC[C@@H](c1ccccn1)N(C)C(=O)NCc1[nH+]ccn1C(C)C ZINC000534674671 468273460 /nfs/dbraw/zinc/27/34/60/468273460.db2.gz WDOJRZPNIPNEID-HNNXBMFYSA-N 1 2 331.420 2.388 50 0 EEAALO COCC[NH+](CCOC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003180199 462611649 /nfs/dbraw/zinc/61/16/49/462611649.db2.gz HQUAZHUBMLIIHQ-UHFFFAOYSA-N 1 2 334.338 2.239 50 0 EEAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCc1ccccc1)CC2 ZINC000005267760 462653242 /nfs/dbraw/zinc/65/32/42/462653242.db2.gz LFLOOELQFDSTTD-UHFFFAOYSA-N 1 2 340.423 2.378 50 0 biogenic EEAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCc1ccccc1)CC2 ZINC000005267760 462653245 /nfs/dbraw/zinc/65/32/45/462653245.db2.gz LFLOOELQFDSTTD-UHFFFAOYSA-N 1 2 340.423 2.378 50 0 biogenic EEAALO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000007267081 462727930 /nfs/dbraw/zinc/72/79/30/462727930.db2.gz 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462865613 /nfs/dbraw/zinc/86/56/13/462865613.db2.gz DAAMFZXFCUZBAT-UHFFFAOYSA-N 1 2 332.429 2.316 50 0 EEAALO CC(=O)N1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000016444226 462979724 /nfs/dbraw/zinc/97/97/24/462979724.db2.gz ZKNCZSQFDHEBHC-UHFFFAOYSA-N 1 2 334.807 2.444 50 0 EEAALO CC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000016444226 462979728 /nfs/dbraw/zinc/97/97/28/462979728.db2.gz ZKNCZSQFDHEBHC-UHFFFAOYSA-N 1 2 334.807 2.444 50 0 EEAALO CCCc1cc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)n(C)n1 ZINC000077438519 462984715 /nfs/dbraw/zinc/98/47/15/462984715.db2.gz YEQABPPOTIILCF-UHFFFAOYSA-N 1 2 344.434 2.470 50 0 EEAALO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2nncn2n1 ZINC000016622747 462985160 /nfs/dbraw/zinc/98/51/60/462985160.db2.gz YLRJLVKHIMVPCQ-UHFFFAOYSA-N 1 2 342.834 2.408 50 0 EEAALO CCCCCCn1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=O ZINC000017181123 462997413 /nfs/dbraw/zinc/99/74/13/462997413.db2.gz ZQZDLLYVZGERKI-MRXNPFEDSA-N 1 2 343.427 2.058 50 0 EEAALO CCCCCCn1c(=O)[nH]c(O)c([C@@H]2[NH2+]CCc3ccccc32)c1=O ZINC000017181123 462997414 /nfs/dbraw/zinc/99/74/14/462997414.db2.gz ZQZDLLYVZGERKI-MRXNPFEDSA-N 1 2 343.427 2.058 50 0 EEAALO CC(C)CCN1C[C@@]2(CCCN(c3cc(N)nc[nH+]3)C2)CCC1=O ZINC000077519367 462999392 /nfs/dbraw/zinc/99/93/92/462999392.db2.gz JVPPSITXVSKBPK-SFHVURJKSA-N 1 2 331.464 2.314 50 0 EEAALO COc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000024755900 463097663 /nfs/dbraw/zinc/09/76/63/463097663.db2.gz ZAEFSYICDASFHI-UHFFFAOYSA-N 1 2 337.383 2.275 50 0 EEAALO COC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000025352124 463121545 /nfs/dbraw/zinc/12/15/45/463121545.db2.gz HJTMNCLTUINDQS-UHFFFAOYSA-N 1 2 338.407 2.431 50 0 EEAALO Cc1noc(C)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000028323080 463223122 /nfs/dbraw/zinc/22/31/22/463223122.db2.gz GMFQESGGCBSQOK-LBPRGKRZSA-N 1 2 349.456 2.017 50 0 EEAALO Cc1noc(C)c1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000028323080 463223126 /nfs/dbraw/zinc/22/31/26/463223126.db2.gz 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O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000067713031 215191505 /nfs/dbraw/zinc/19/15/05/215191505.db2.gz DPFMMOQYQVEVCJ-LBPRGKRZSA-N 1 2 328.347 2.423 50 0 EEAALO Cc1cccc(C[N@@H+]2CCO[C@@H](CCNC(=O)c3ccccc3)C2)n1 ZINC000067846714 215228342 /nfs/dbraw/zinc/22/83/42/215228342.db2.gz ZBVJOBMJLJKGQR-IBGZPJMESA-N 1 2 339.439 2.411 50 0 EEAALO Cc1cccc(C[N@H+]2CCO[C@@H](CCNC(=O)c3ccccc3)C2)n1 ZINC000067846714 215228344 /nfs/dbraw/zinc/22/83/44/215228344.db2.gz ZBVJOBMJLJKGQR-IBGZPJMESA-N 1 2 339.439 2.411 50 0 EEAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000035403470 213025960 /nfs/dbraw/zinc/02/59/60/213025960.db2.gz RTVUHGFPXNDGLS-UHFFFAOYSA-N 1 2 340.427 2.465 50 0 EEAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000035403470 213025964 /nfs/dbraw/zinc/02/59/64/213025964.db2.gz RTVUHGFPXNDGLS-UHFFFAOYSA-N 1 2 340.427 2.465 50 0 EEAALO Cn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cn1 ZINC000072149616 216036444 /nfs/dbraw/zinc/03/64/44/216036444.db2.gz GVMHZYAAEBLLJW-CYBMUJFWSA-N 1 2 349.385 2.213 50 0 EEAALO Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cn1 ZINC000072149616 216036449 /nfs/dbraw/zinc/03/64/49/216036449.db2.gz GVMHZYAAEBLLJW-CYBMUJFWSA-N 1 2 349.385 2.213 50 0 EEAALO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1sccc1C(N)=O ZINC000026333239 212515602 /nfs/dbraw/zinc/51/56/02/212515602.db2.gz VGZJLQZVRAHQPK-NSHDSACASA-N 1 2 347.440 2.487 50 0 EEAALO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C(N)=O ZINC000026333239 212515604 /nfs/dbraw/zinc/51/56/04/212515604.db2.gz VGZJLQZVRAHQPK-NSHDSACASA-N 1 2 347.440 2.487 50 0 EEAALO CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000025012260 212455252 /nfs/dbraw/zinc/45/52/52/212455252.db2.gz NKZYESUYXARDNF-RUDMXATFSA-N 1 2 347.378 2.279 50 0 EEAALO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)on1 ZINC000022911785 212332696 /nfs/dbraw/zinc/33/26/96/212332696.db2.gz LJVQKJVYKZIHHY-CYBMUJFWSA-N 1 2 334.445 2.189 50 0 EEAALO C[N@H+](Cc1ccon1)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000215156573 241109093 /nfs/dbraw/zinc/10/90/93/241109093.db2.gz BMPBEHSSMDSHDU-UHFFFAOYSA-N 1 2 329.400 2.308 50 0 EEAALO C[N@@H+](Cc1ccon1)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000215156573 241109096 /nfs/dbraw/zinc/10/90/96/241109096.db2.gz BMPBEHSSMDSHDU-UHFFFAOYSA-N 1 2 329.400 2.308 50 0 EEAALO O=C(NC[C@@H]1CCCO1)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000426727290 241329223 /nfs/dbraw/zinc/32/92/23/241329223.db2.gz ASFQHVGIFOZYDC-KRWDZBQOSA-N 1 2 343.431 2.059 50 0 EEAALO O=C(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1nnc(C2CC2)s1 ZINC000244873488 243092173 /nfs/dbraw/zinc/09/21/73/243092173.db2.gz WRFBUFCDAVSOFQ-GFCCVEGCSA-N 1 2 346.460 2.347 50 0 EEAALO O=C(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1nnc(C2CC2)s1 ZINC000244873488 243092183 /nfs/dbraw/zinc/09/21/83/243092183.db2.gz WRFBUFCDAVSOFQ-GFCCVEGCSA-N 1 2 346.460 2.347 50 0 EEAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCCOCCO ZINC000020661983 212159810 /nfs/dbraw/zinc/15/98/10/212159810.db2.gz DKRZOLQHDDJYLK-UHFFFAOYSA-N 1 2 347.806 2.198 50 0 EEAALO COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH+]c[nH]c3c2)c1=O ZINC000252491813 243799891 /nfs/dbraw/zinc/79/98/91/243799891.db2.gz LUBKORYLIZVIBU-UHFFFAOYSA-N 1 2 340.383 2.240 50 0 EEAALO Cc1ccc2c(c1)c1nnc(SCC[NH+]3CCOCC3)nc1n2C ZINC000019973834 212093037 /nfs/dbraw/zinc/09/30/37/212093037.db2.gz BMFWYVSWUVHKPO-UHFFFAOYSA-N 1 2 343.456 2.249 50 0 EEAALO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cccc(Br)c1 ZINC000019799774 212070385 /nfs/dbraw/zinc/07/03/85/212070385.db2.gz OQPCBZDVCYHEEY-LLVKDONJSA-N 1 2 328.206 2.327 50 0 EEAALO COc1ccc(C[NH+]2CCN(Cc3cccn3C)CC2)c(OC)c1 ZINC000019291141 212011122 /nfs/dbraw/zinc/01/11/22/212011122.db2.gz ZBLVYQFSZKQTGU-UHFFFAOYSA-N 1 2 329.444 2.360 50 0 EEAALO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000012994064 211503442 /nfs/dbraw/zinc/50/34/42/211503442.db2.gz AWOWPTOQGXJABJ-CYBMUJFWSA-N 1 2 339.867 2.145 50 0 EEAALO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000012994064 211503448 /nfs/dbraw/zinc/50/34/48/211503448.db2.gz AWOWPTOQGXJABJ-CYBMUJFWSA-N 1 2 339.867 2.145 50 0 EEAALO CC(=O)NC[C@H]1CCC2(CCN(c3nc(C)[nH+]c(C)c3C)CC2)O1 ZINC000091876826 218081605 /nfs/dbraw/zinc/08/16/05/218081605.db2.gz YNCFSTYYUFFHGO-MRXNPFEDSA-N 1 2 332.448 2.056 50 0 EEAALO CCOc1ncccc1CNC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095370800 218303767 /nfs/dbraw/zinc/30/37/67/218303767.db2.gz NMLLQKOSUNYPAG-KRWDZBQOSA-N 1 2 340.427 2.329 50 0 EEAALO Cc1ccc2nc(CNC(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)cn2c1 ZINC000095372685 218305055 /nfs/dbraw/zinc/30/50/55/218305055.db2.gz CDONUUZKJTWWFN-SFHVURJKSA-N 1 2 334.423 2.316 50 0 EEAALO Cc1ccc2nc(CNC(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)cn2c1 ZINC000095372685 218305058 /nfs/dbraw/zinc/30/50/58/218305058.db2.gz CDONUUZKJTWWFN-SFHVURJKSA-N 1 2 334.423 2.316 50 0 EEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2csc(C)c2)C[N@@H+]1CC=C(C)C ZINC000095386178 218318454 /nfs/dbraw/zinc/31/84/54/218318454.db2.gz JWFBWAFLBXDHBW-CVEARBPZSA-N 1 2 349.500 2.332 50 0 EEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2csc(C)c2)C[N@H+]1CC=C(C)C ZINC000095386178 218318455 /nfs/dbraw/zinc/31/84/55/218318455.db2.gz JWFBWAFLBXDHBW-CVEARBPZSA-N 1 2 349.500 2.332 50 0 EEAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)o1 ZINC000152748983 224007224 /nfs/dbraw/zinc/00/72/24/224007224.db2.gz JIZJQVIRTNEQON-JTQLQIEISA-N 1 2 336.189 2.446 50 0 EEAALO CCCn1cc[nH+]c1CNC(=O)[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000299771950 258084021 /nfs/dbraw/zinc/08/40/21/258084021.db2.gz XJYJGSMFBQASIE-CYBMUJFWSA-N 1 2 333.461 2.497 50 0 EEAALO CNC(=O)c1ccc(C[N@H+](CC(=O)c2cccn2C)C2CC2)cc1 ZINC000025193991 258057643 /nfs/dbraw/zinc/05/76/43/258057643.db2.gz QIDIOKXFEYVPOY-UHFFFAOYSA-N 1 2 325.412 2.232 50 0 EEAALO CNC(=O)c1ccc(C[N@@H+](CC(=O)c2cccn2C)C2CC2)cc1 ZINC000025193991 258057644 /nfs/dbraw/zinc/05/76/44/258057644.db2.gz QIDIOKXFEYVPOY-UHFFFAOYSA-N 1 2 325.412 2.232 50 0 EEAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CC(=O)OC12CCCCC2 ZINC000299765219 258080460 /nfs/dbraw/zinc/08/04/60/258080460.db2.gz DAMCMBFXZDXEMZ-OAHLLOKOSA-N 1 2 341.411 2.259 50 0 EEAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1ccco1 ZINC000055062897 132193558 /nfs/dbraw/zinc/19/35/58/132193558.db2.gz QUNRHWQWYUGOCF-UHFFFAOYSA-N 1 2 333.819 2.371 50 0 EEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000172953631 152133084 /nfs/dbraw/zinc/13/30/84/152133084.db2.gz TWYIREXKMNLGOD-UHFFFAOYSA-N 1 2 347.278 2.084 50 0 EEAALO C[NH+]1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2F)CC3=O)CC1 ZINC000002442298 277115021 /nfs/dbraw/zinc/11/50/21/277115021.db2.gz SIWSVVGXOOZXCW-CYBMUJFWSA-N 1 2 340.402 2.280 50 0 EEAALO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000110699526 323323588 /nfs/dbraw/zinc/32/35/88/323323588.db2.gz ATMUPEZHDUPUKF-WBVHZDCISA-N 1 2 347.365 2.137 50 0 EEAALO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000110699526 323323593 /nfs/dbraw/zinc/32/35/93/323323593.db2.gz ATMUPEZHDUPUKF-WBVHZDCISA-N 1 2 347.365 2.137 50 0 EEAALO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000016396894 462978246 /nfs/dbraw/zinc/97/82/46/462978246.db2.gz ZMVGHVPTIQYTCN-MRXNPFEDSA-N 1 2 333.476 2.281 50 0 EEAALO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000016396894 462978251 /nfs/dbraw/zinc/97/82/51/462978251.db2.gz ZMVGHVPTIQYTCN-MRXNPFEDSA-N 1 2 333.476 2.281 50 0 EEAALO COc1cc(OC)c(C[N@@H+]2CCC[C@H](O)C2)cc1Br ZINC000000238787 462550343 /nfs/dbraw/zinc/55/03/43/462550343.db2.gz HPKXHWWFASZXQH-NSHDSACASA-N 1 2 330.222 2.423 50 0 EEAALO COc1cc(OC)c(C[N@H+]2CCC[C@H](O)C2)cc1Br ZINC000000238787 462550348 /nfs/dbraw/zinc/55/03/48/462550348.db2.gz HPKXHWWFASZXQH-NSHDSACASA-N 1 2 330.222 2.423 50 0 EEAALO Cc1ccn2cc(CCNS(=O)(=O)c3cccc(C)c3)[nH+]c2c1 ZINC000002961148 462608154 /nfs/dbraw/zinc/60/81/54/462608154.db2.gz VOSMLAVTRLGZMJ-UHFFFAOYSA-N 1 2 329.425 2.472 50 0 EEAALO S=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000004999069 462642448 /nfs/dbraw/zinc/64/24/48/462642448.db2.gz CKTIMYTZGQRNKL-UHFFFAOYSA-N 1 2 342.424 2.329 50 0 EEAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000007462269 462737831 /nfs/dbraw/zinc/73/78/31/462737831.db2.gz JTSFTLNYVUPBQS-UHFFFAOYSA-N 1 2 349.394 2.174 50 0 EEAALO CCc1cnc(N2CC[NH+](Cc3ccc(OC)cc3OC)CC2)nc1 ZINC000065398719 462764335 /nfs/dbraw/zinc/76/43/35/462764335.db2.gz ZPFVNLFJFZIMMW-UHFFFAOYSA-N 1 2 342.443 2.378 50 0 EEAALO O=C(N1CCO[C@@H](c2ccccc2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118873484 462859871 /nfs/dbraw/zinc/85/98/71/462859871.db2.gz GBBBJKUYYJBOTI-GOSISDBHSA-N 1 2 344.455 2.232 50 0 EEAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C(N)=O)c1ccccc1)CC2 ZINC000012807305 462869514 /nfs/dbraw/zinc/86/95/14/462869514.db2.gz PZXOXIIJNWBOFJ-SFHVURJKSA-N 1 2 326.396 2.289 50 0 EEAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C(N)=O)c1ccccc1)CC2 ZINC000012807305 462869520 /nfs/dbraw/zinc/86/95/20/462869520.db2.gz PZXOXIIJNWBOFJ-SFHVURJKSA-N 1 2 326.396 2.289 50 0 EEAALO C[N@H+](CCC(=O)Nc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014199690 462918587 /nfs/dbraw/zinc/91/85/87/462918587.db2.gz AXWFSJPMWGFPMO-UHFFFAOYSA-N 1 2 336.395 2.384 50 0 EEAALO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014199690 462918589 /nfs/dbraw/zinc/91/85/89/462918589.db2.gz AXWFSJPMWGFPMO-UHFFFAOYSA-N 1 2 336.395 2.384 50 0 EEAALO CCC[NH+]1CCN(c2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)CC1 ZINC000015725931 462961288 /nfs/dbraw/zinc/96/12/88/462961288.db2.gz SRXKRBSOTCMTIO-UHFFFAOYSA-N 1 2 326.440 2.407 50 0 EEAALO CCN(C)c1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc[nH+]1 ZINC000077422909 462982992 /nfs/dbraw/zinc/98/29/92/462982992.db2.gz ZIVUQWANBVMKEN-IBGZPJMESA-N 1 2 343.475 2.304 50 0 EEAALO CCN(C)c1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]cn1 ZINC000077422909 462982996 /nfs/dbraw/zinc/98/29/96/462982996.db2.gz ZIVUQWANBVMKEN-IBGZPJMESA-N 1 2 343.475 2.304 50 0 EEAALO Nc1cc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)nc(N)[nH+]1 ZINC000067674027 463034847 /nfs/dbraw/zinc/03/48/47/463034847.db2.gz FYBYBCXGODDQIC-QGZVFWFLSA-N 1 2 347.850 2.116 50 0 EEAALO Nc1cc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)[nH+]c(N)n1 ZINC000067674027 463034857 /nfs/dbraw/zinc/03/48/57/463034857.db2.gz FYBYBCXGODDQIC-QGZVFWFLSA-N 1 2 347.850 2.116 50 0 EEAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000024082408 463077255 /nfs/dbraw/zinc/07/72/55/463077255.db2.gz LTHWUKPWIZUCGX-UHFFFAOYSA-N 1 2 325.412 2.357 50 0 EEAALO COc1cccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000024193290 463081171 /nfs/dbraw/zinc/08/11/71/463081171.db2.gz SARMGXNKRQLMJE-IBGZPJMESA-N 1 2 340.423 2.499 50 0 EEAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3nccs3)C2)N1Cc1cscn1 ZINC000095503596 463096338 /nfs/dbraw/zinc/09/63/38/463096338.db2.gz IQKKZGGTJVKOSD-WCQYABFASA-N 1 2 334.470 2.223 50 0 EEAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3nccs3)C2)N1Cc1cscn1 ZINC000095503596 463096346 /nfs/dbraw/zinc/09/63/46/463096346.db2.gz IQKKZGGTJVKOSD-WCQYABFASA-N 1 2 334.470 2.223 50 0 EEAALO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000029692712 463268939 /nfs/dbraw/zinc/26/89/39/463268939.db2.gz DJYJAASMTLOYPX-SFHVURJKSA-N 1 2 341.411 2.165 50 0 EEAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](c1ccccc1)n1cccn1)C2 ZINC000097198835 463343731 /nfs/dbraw/zinc/34/37/31/463343731.db2.gz RYQWJRFAINGROH-WMZOPIPTSA-N 1 2 335.411 2.109 50 0 EEAALO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc2ccccc2o1 ZINC000031941951 463359494 /nfs/dbraw/zinc/35/94/94/463359494.db2.gz GMQGFXMPVOOESM-SFHVURJKSA-N 1 2 346.452 2.371 50 0 EEAALO O=C(c1ccc(O)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000071279010 463412371 /nfs/dbraw/zinc/41/23/71/463412371.db2.gz NUZVXTZUCJOUGX-AWEZNQCLSA-N 1 2 338.835 2.373 50 0 EEAALO O=C(CCCn1cccn1)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252482704 464961990 /nfs/dbraw/zinc/96/19/90/464961990.db2.gz DMGFVUQAXBYKNH-MRXNPFEDSA-N 1 2 327.432 2.091 50 0 EEAALO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2nnc(CCC)s2)C1 ZINC000252508526 464975444 /nfs/dbraw/zinc/97/54/44/464975444.db2.gz XOQASGSNYFNBSD-LBPRGKRZSA-N 1 2 326.466 2.320 50 0 EEAALO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2nnc(CCC)s2)C1 ZINC000252508526 464975449 /nfs/dbraw/zinc/97/54/49/464975449.db2.gz XOQASGSNYFNBSD-LBPRGKRZSA-N 1 2 326.466 2.320 50 0 EEAALO CSc1ccc(CCC(=O)NCCOCCn2cc[nH+]c2)cc1 ZINC000575620446 468152003 /nfs/dbraw/zinc/15/20/03/468152003.db2.gz SQRAXWUHAGPKPX-UHFFFAOYSA-N 1 2 333.457 2.371 50 0 EEAALO CCSCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000426627718 535684114 /nfs/dbraw/zinc/68/41/14/535684114.db2.gz MXTMAVMHBMJKGF-UHFFFAOYSA-N 1 2 337.489 2.146 50 0 EEAALO C[NH+]1CCN(C(=O)c2ccnc(-c3ccc(-n4cccn4)cc3)c2)CC1 ZINC000426445710 536407628 /nfs/dbraw/zinc/40/76/28/536407628.db2.gz YEPTUFNFQSGZNS-UHFFFAOYSA-N 1 2 347.422 2.322 50 0 EEAALO Cc1c(NC(=O)C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)cnn1C ZINC001506407388 1114598364 /nfs/dbraw/zinc/59/83/64/1114598364.db2.gz NRASDUKXZXJTCU-OAHLLOKOSA-N 1 2 348.472 2.410 50 0 EEAALO Cc1c(NC(=O)C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)cnn1C ZINC001506407388 1114598367 /nfs/dbraw/zinc/59/83/67/1114598367.db2.gz NRASDUKXZXJTCU-OAHLLOKOSA-N 1 2 348.472 2.410 50 0 EEAALO COc1ccccc1OCc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000067539815 215158928 /nfs/dbraw/zinc/15/89/28/215158928.db2.gz ZBFCZKFULRQASX-UHFFFAOYSA-N 1 2 342.355 2.258 50 0 EEAALO O=C(CCc1nc(-c2cccnc2)no1)Nc1c[nH+]c2n1CCCC2 ZINC000067713213 215191190 /nfs/dbraw/zinc/19/11/90/215191190.db2.gz MLCKVRGMVFOZLI-UHFFFAOYSA-N 1 2 338.371 2.236 50 0 EEAALO CC(C)[C@@H](CO)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067879300 215238909 /nfs/dbraw/zinc/23/89/09/215238909.db2.gz IFNVMVRACXWZEY-QGZVFWFLSA-N 1 2 331.416 2.053 50 0 EEAALO CC(C)[C@@H](CO)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067879300 215238911 /nfs/dbraw/zinc/23/89/11/215238911.db2.gz IFNVMVRACXWZEY-QGZVFWFLSA-N 1 2 331.416 2.053 50 0 EEAALO CCCN(CC1CC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072169630 216060311 /nfs/dbraw/zinc/06/03/11/216060311.db2.gz NJACZIMAELJKJO-SFHVURJKSA-N 1 2 343.471 2.026 50 0 EEAALO CCCN(CC1CC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072169630 216060315 /nfs/dbraw/zinc/06/03/15/216060315.db2.gz NJACZIMAELJKJO-SFHVURJKSA-N 1 2 343.471 2.026 50 0 EEAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1 ZINC000000045798 209387983 /nfs/dbraw/zinc/38/79/83/209387983.db2.gz WEZCDFAHERGUAW-UHFFFAOYSA-N 1 2 341.386 2.466 50 0 EEAALO CCOC(=O)C[C@@H]1CCCCN1C(=O)c1csc(C[NH+](C)C)n1 ZINC000072469553 216249061 /nfs/dbraw/zinc/24/90/61/216249061.db2.gz CNGHWNAAQJMVFO-LBPRGKRZSA-N 1 2 339.461 2.153 50 0 EEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000072477617 216255237 /nfs/dbraw/zinc/25/52/37/216255237.db2.gz VNIOTPXKQFCAPT-UHFFFAOYSA-N 1 2 337.423 2.283 50 0 EEAALO COC(=O)c1n[nH]cc1C[N@@H+]1CCN(c2ccccc2C)C[C@H]1C ZINC000072481624 216261673 /nfs/dbraw/zinc/26/16/73/216261673.db2.gz GTVILDUMKCYXDD-CQSZACIVSA-N 1 2 328.416 2.215 50 0 EEAALO COC(=O)c1n[nH]cc1C[N@H+]1CCN(c2ccccc2C)C[C@H]1C ZINC000072481624 216261677 /nfs/dbraw/zinc/26/16/77/216261677.db2.gz GTVILDUMKCYXDD-CQSZACIVSA-N 1 2 328.416 2.215 50 0 EEAALO NC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022935423 212338245 /nfs/dbraw/zinc/33/82/45/212338245.db2.gz JOUHPWFLNYKXRX-MRXNPFEDSA-N 1 2 333.432 2.231 50 0 EEAALO O=c1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)nc2ccc(Cl)cn12 ZINC000193857162 240335284 /nfs/dbraw/zinc/33/52/84/240335284.db2.gz JRYMDECBGUNDMT-GFCCVEGCSA-N 1 2 343.818 2.451 50 0 EEAALO O=c1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)nc2ccc(Cl)cn12 ZINC000193857162 240335289 /nfs/dbraw/zinc/33/52/89/240335289.db2.gz JRYMDECBGUNDMT-GFCCVEGCSA-N 1 2 343.818 2.451 50 0 EEAALO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020238792 212113321 /nfs/dbraw/zinc/11/33/21/212113321.db2.gz KYALARNTXQVINH-UHFFFAOYSA-N 1 2 340.423 2.457 50 0 EEAALO O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000020209536 212112674 /nfs/dbraw/zinc/11/26/74/212112674.db2.gz XHECYNBMNAYEAQ-ZDUSSCGKSA-N 1 2 334.807 2.310 50 0 EEAALO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccccc1Br ZINC000019878116 212078154 /nfs/dbraw/zinc/07/81/54/212078154.db2.gz JCCKKFBEBKAPBF-GFCCVEGCSA-N 1 2 341.249 2.242 50 0 EEAALO CC(C)CN1CC2(CC1=O)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC000091915404 218088387 /nfs/dbraw/zinc/08/83/87/218088387.db2.gz IIOQXAKPSSYTCS-UHFFFAOYSA-N 1 2 346.475 2.160 50 0 EEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)C2CCC2)CC1 ZINC000091988225 218099562 /nfs/dbraw/zinc/09/95/62/218099562.db2.gz AMKLEBPZPOBHNS-UHFFFAOYSA-N 1 2 342.447 2.049 50 0 EEAALO CC[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cccn1 ZINC000092028808 218105336 /nfs/dbraw/zinc/10/53/36/218105336.db2.gz QODIICAZODXSBV-GOSISDBHSA-N 1 2 342.443 2.057 50 0 EEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(c1ncccc1F)CC2 ZINC000091943393 218092690 /nfs/dbraw/zinc/09/26/90/218092690.db2.gz WHOFDNJHTQKBRV-UHFFFAOYSA-N 1 2 343.406 2.234 50 0 EEAALO Cc1[nH]c(=O)c(C(=O)N2CCC(c3[nH+]ccn3C)CC2)c(C)c1Cl ZINC000092081732 218117593 /nfs/dbraw/zinc/11/75/93/218117593.db2.gz HUSYNGHUHGPLTA-UHFFFAOYSA-N 1 2 348.834 2.398 50 0 EEAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009445988 211084950 /nfs/dbraw/zinc/08/49/50/211084950.db2.gz IEMDMBWVVVREGC-UHFFFAOYSA-N 1 2 328.368 2.494 50 0 EEAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009445988 211084954 /nfs/dbraw/zinc/08/49/54/211084954.db2.gz IEMDMBWVVVREGC-UHFFFAOYSA-N 1 2 328.368 2.494 50 0 EEAALO COc1ccc(C(=O)NC(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000009053747 211036667 /nfs/dbraw/zinc/03/66/67/211036667.db2.gz RMHFNSVFFWFCDW-UHFFFAOYSA-N 1 2 330.359 2.223 50 0 EEAALO COc1ccc(C(=O)NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000009053747 211036669 /nfs/dbraw/zinc/03/66/69/211036669.db2.gz RMHFNSVFFWFCDW-UHFFFAOYSA-N 1 2 330.359 2.223 50 0 EEAALO COc1ccc2c(c1)CCN(C(=O)C[N@H+](C)Cc1ccncc1)CC2 ZINC000095361059 218294722 /nfs/dbraw/zinc/29/47/22/218294722.db2.gz FJTJFBLALUYORT-UHFFFAOYSA-N 1 2 339.439 2.149 50 0 EEAALO COc1ccc2c(c1)CCN(C(=O)C[N@@H+](C)Cc1ccncc1)CC2 ZINC000095361059 218294723 /nfs/dbraw/zinc/29/47/23/218294723.db2.gz FJTJFBLALUYORT-UHFFFAOYSA-N 1 2 339.439 2.149 50 0 EEAALO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095377797 218310532 /nfs/dbraw/zinc/31/05/32/218310532.db2.gz HPLAIFBOOISHTG-UKRRQHHQSA-N 1 2 333.480 2.285 50 0 EEAALO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095377797 218310533 /nfs/dbraw/zinc/31/05/33/218310533.db2.gz HPLAIFBOOISHTG-UKRRQHHQSA-N 1 2 333.480 2.285 50 0 EEAALO Cc1nnc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)s1 ZINC000299765698 258080790 /nfs/dbraw/zinc/08/07/90/258080790.db2.gz BUKWYRZSJVDVPI-UHFFFAOYSA-N 1 2 344.484 2.417 50 0 EEAALO Cc1ccn(-c2cc[nH+]c(N3CCN(c4ccccc4F)CC3)n2)n1 ZINC000057508382 132200915 /nfs/dbraw/zinc/20/09/15/132200915.db2.gz HQDMZZCWYOLAKD-UHFFFAOYSA-N 1 2 338.390 2.436 50 0 EEAALO Cc1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](C)CC4)nc3C2)cc1 ZINC000002241022 292262022 /nfs/dbraw/zinc/26/20/22/292262022.db2.gz GCDUNAZGXCDEII-MRXNPFEDSA-N 1 2 336.439 2.450 50 0 EEAALO C=Cn1ccnc1[C@@H]([C@H](O)c1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000000377938 462557467 /nfs/dbraw/zinc/55/74/67/462557467.db2.gz LWWOKJBXGOIIAV-HZPDHXFCSA-N 1 2 347.415 2.346 50 0 EEAALO COC(=O)c1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006726206 462699631 /nfs/dbraw/zinc/69/96/31/462699631.db2.gz DLZGMVMRKCEGMK-UHFFFAOYSA-N 1 2 340.383 2.222 50 0 EEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000007919010 462757404 /nfs/dbraw/zinc/75/74/04/462757404.db2.gz FQLARDXNWWLOLK-OAHLLOKOSA-N 1 2 343.427 2.472 50 0 EEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000007919010 462757406 /nfs/dbraw/zinc/75/74/06/462757406.db2.gz FQLARDXNWWLOLK-OAHLLOKOSA-N 1 2 343.427 2.472 50 0 EEAALO CC[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000065397863 462764266 /nfs/dbraw/zinc/76/42/66/462764266.db2.gz LODDYXQXRSTIHY-MRXNPFEDSA-N 1 2 337.508 2.404 50 0 EEAALO COC(=O)c1sccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013737293 462903451 /nfs/dbraw/zinc/90/34/51/462903451.db2.gz RMWIJUPCDTYOMO-UHFFFAOYSA-N 1 2 346.412 2.284 50 0 EEAALO CCc1ccc(C[N@@H+]2C[C@H]3OC(=O)N(CCc4ccccn4)[C@H]3C2)o1 ZINC000015064512 462939451 /nfs/dbraw/zinc/93/94/51/462939451.db2.gz IFUCSJJOWCFZQT-ZWKOTPCHSA-N 1 2 341.411 2.485 50 0 EEAALO CCc1ccc(C[N@H+]2C[C@H]3OC(=O)N(CCc4ccccn4)[C@H]3C2)o1 ZINC000015064512 462939459 /nfs/dbraw/zinc/93/94/59/462939459.db2.gz IFUCSJJOWCFZQT-ZWKOTPCHSA-N 1 2 341.411 2.485 50 0 EEAALO Cc1cc(C)nc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)n1 ZINC000077503429 462995881 /nfs/dbraw/zinc/99/58/81/462995881.db2.gz TUBXTRQSECSDKF-UHFFFAOYSA-N 1 2 337.427 2.492 50 0 EEAALO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095501950 463096316 /nfs/dbraw/zinc/09/63/16/463096316.db2.gz DFZSFRKNBUGCQE-DZGCQCFKSA-N 1 2 346.456 2.371 50 0 EEAALO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095501950 463096321 /nfs/dbraw/zinc/09/63/21/463096321.db2.gz DFZSFRKNBUGCQE-DZGCQCFKSA-N 1 2 346.456 2.371 50 0 EEAALO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC000026452330 463164403 /nfs/dbraw/zinc/16/44/03/463164403.db2.gz FEEQQFAXDJCCSO-GOEBONIOSA-N 1 2 348.443 2.088 50 0 EEAALO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCOC[C@@H]2C)cc1OC ZINC000026452330 463164409 /nfs/dbraw/zinc/16/44/09/463164409.db2.gz FEEQQFAXDJCCSO-GOEBONIOSA-N 1 2 348.443 2.088 50 0 EEAALO CC(C)Cn1c[nH+]cc1CNC(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000096160691 463191009 /nfs/dbraw/zinc/19/10/09/463191009.db2.gz NPYANULOBUNLCB-UHFFFAOYSA-N 1 2 343.387 2.306 50 0 EEAALO O=S(=O)(Cc1ccc(F)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029395504 463256128 /nfs/dbraw/zinc/25/61/28/463256128.db2.gz HUHJIEQGEYJDAC-UHFFFAOYSA-N 1 2 349.431 2.441 50 0 EEAALO Cc1nn(C)c(C)c1CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012715 463284172 /nfs/dbraw/zinc/28/41/72/463284172.db2.gz HZDSNCUTHIOSDZ-UHFFFAOYSA-N 1 2 341.459 2.281 50 0 EEAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(-c3nc(C)no3)cc1)C2 ZINC000097199225 463343805 /nfs/dbraw/zinc/34/38/05/463343805.db2.gz PAACFZGYMZDZIL-HNNXBMFYSA-N 1 2 337.383 2.295 50 0 EEAALO COc1cc(C)c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c(C)c1 ZINC000032438044 463376645 /nfs/dbraw/zinc/37/66/45/463376645.db2.gz WBRVYYMHQDRJQG-UHFFFAOYSA-N 1 2 349.456 2.252 50 0 EEAALO 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YGYYWNRKYIVCFS-UHFFFAOYSA-N 1 2 338.415 2.456 50 0 EEAALO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)NCC(F)(F)F ZINC000029476263 463258306 /nfs/dbraw/zinc/25/83/06/463258306.db2.gz KQEVFTFJXKHPGY-OAHLLOKOSA-N 1 2 330.350 2.111 50 0 EEAALO OCCn1ncc2c1nc[nH+]c2N[C@H]1CCSc2ccccc21 ZINC000097200182 463345803 /nfs/dbraw/zinc/34/58/03/463345803.db2.gz YRIKTDKFRSFTHS-ZDUSSCGKSA-N 1 2 327.413 2.468 50 0 EEAALO CC[C@H]1C[N@H+](Cc2nccn2C)CCC(=O)N1Cc1ccccc1 ZINC000071749799 463421227 /nfs/dbraw/zinc/42/12/27/463421227.db2.gz DURVCHJMFNFACQ-KRWDZBQOSA-N 1 2 326.444 2.433 50 0 EEAALO CC[C@H]1C[N@@H+](Cc2nccn2C)CCC(=O)N1Cc1ccccc1 ZINC000071749799 463421232 /nfs/dbraw/zinc/42/12/32/463421232.db2.gz DURVCHJMFNFACQ-KRWDZBQOSA-N 1 2 326.444 2.433 50 0 EEAALO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000034872613 463429561 /nfs/dbraw/zinc/42/95/61/463429561.db2.gz CDESQNYPHNFDGK-OAHLLOKOSA-N 1 2 330.457 2.095 50 0 EEAALO COc1ccc(Nc2[nH+]cnc3c2cnn3C)cc1N1CCCC1=O ZINC000042106651 463541822 /nfs/dbraw/zinc/54/18/22/463541822.db2.gz GPDLXELLGBQKCW-UHFFFAOYSA-N 1 2 338.371 2.242 50 0 EEAALO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000108147193 463591887 /nfs/dbraw/zinc/59/18/87/463591887.db2.gz QIGZBHOWGLEEIM-RDJZCZTQSA-N 1 2 348.397 2.490 50 0 EEAALO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000108147193 463591890 /nfs/dbraw/zinc/59/18/90/463591890.db2.gz QIGZBHOWGLEEIM-RDJZCZTQSA-N 1 2 348.397 2.490 50 0 EEAALO O[C@H](C[N@@H+]1CCO[C@@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000222213988 464127737 /nfs/dbraw/zinc/12/77/37/464127737.db2.gz NIKXNWLEQFQJPC-CZUORRHYSA-N 1 2 348.424 2.021 50 0 EEAALO O[C@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000222213988 464127741 /nfs/dbraw/zinc/12/77/41/464127741.db2.gz NIKXNWLEQFQJPC-CZUORRHYSA-N 1 2 348.424 2.021 50 0 EEAALO O=C(CCCn1cc[nH+]c1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000244866516 464462665 /nfs/dbraw/zinc/46/26/65/464462665.db2.gz VXNVTCQIFMNVPA-ZDUSSCGKSA-N 1 2 346.818 2.238 50 0 EEAALO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](CO)Cc1ccco1 ZINC000533017064 468161408 /nfs/dbraw/zinc/16/14/08/468161408.db2.gz APGCLCPLTREJDC-OAHLLOKOSA-N 1 2 341.411 2.295 50 0 EEAALO CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1coc(C[NH3+])n1 ZINC000952966549 796075413 /nfs/dbraw/zinc/07/54/13/796075413.db2.gz VLDAOAVUNIOUBO-UHFFFAOYSA-N 1 2 341.371 2.154 50 0 EEAALO O=S(=O)(/C=C\c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033303862 798189322 /nfs/dbraw/zinc/18/93/22/798189322.db2.gz BLKMRKLFRDZDAL-DHDCSXOGSA-N 1 2 329.425 2.204 50 0 EEAALO COCCn1c[nH+]cc1CNC(=O)CCc1nc2ccccc2s1 ZINC000824466437 800267827 /nfs/dbraw/zinc/26/78/27/800267827.db2.gz RLPPJGAAAYJWKI-UHFFFAOYSA-N 1 2 344.440 2.388 50 0 EEAALO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001529171889 1121354439 /nfs/dbraw/zinc/35/44/39/1121354439.db2.gz AGOCBMUDTLJEMN-UHFFFAOYSA-N 1 2 341.459 2.374 50 0 EEAALO Cc1c(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)cccc1C(N)=O ZINC000097681861 219047872 /nfs/dbraw/zinc/04/78/72/219047872.db2.gz CQQLPAANVHLDRE-CQSZACIVSA-N 1 2 329.404 2.346 50 0 EEAALO COCc1ncc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000055271607 214298971 /nfs/dbraw/zinc/29/89/71/214298971.db2.gz UBRSTKVQFHTASN-UHFFFAOYSA-N 1 2 330.407 2.080 50 0 EEAALO CCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000159330821 529698542 /nfs/dbraw/zinc/69/85/42/529698542.db2.gz GNBVXXGJSOZKTI-GFCCVEGCSA-N 1 2 337.470 2.263 50 0 EEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000104212447 219360829 /nfs/dbraw/zinc/36/08/29/219360829.db2.gz QAUHKVFOELVKKS-OLZOCXBDSA-N 1 2 329.400 2.259 50 0 EEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000104212447 219360832 /nfs/dbraw/zinc/36/08/32/219360832.db2.gz QAUHKVFOELVKKS-OLZOCXBDSA-N 1 2 329.400 2.259 50 0 EEAALO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@H]1CCO ZINC000072457657 216242419 /nfs/dbraw/zinc/24/24/19/216242419.db2.gz QQDNHWAAPLSWAV-CQSZACIVSA-N 1 2 330.384 2.211 50 0 EEAALO C[N@H+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@H]1CCO ZINC000072457657 216242421 /nfs/dbraw/zinc/24/24/21/216242421.db2.gz QQDNHWAAPLSWAV-CQSZACIVSA-N 1 2 330.384 2.211 50 0 EEAALO Cc1ccn2c(F)c(C(=O)N(C)CCCc3[nH+]ccn3C)nc2c1 ZINC000426383755 241271861 /nfs/dbraw/zinc/27/18/61/241271861.db2.gz HFXKCAOZGOEAMH-UHFFFAOYSA-N 1 2 329.379 2.220 50 0 EEAALO CCc1nc(C)c(CNC(=O)CC[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000244873237 243091776 /nfs/dbraw/zinc/09/17/76/243091776.db2.gz WMITWRCRHINFDG-ZDUSSCGKSA-N 1 2 338.521 2.046 50 0 EEAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NC1CCCC1 ZINC000020508704 212141128 /nfs/dbraw/zinc/14/11/28/212141128.db2.gz MPSFLLNTPMJRON-RMKNXTFCSA-N 1 2 327.472 2.376 50 0 EEAALO O=S(=O)(Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019720359 212057513 /nfs/dbraw/zinc/05/75/13/212057513.db2.gz DYCHURWTNOAGFJ-UHFFFAOYSA-N 1 2 330.453 2.334 50 0 EEAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000019608287 212051474 /nfs/dbraw/zinc/05/14/74/212051474.db2.gz JRRYUBXGYWHGRT-UHFFFAOYSA-N 1 2 341.411 2.057 50 0 EEAALO Oc1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019361694 212021365 /nfs/dbraw/zinc/02/13/65/212021365.db2.gz AJHBMPGSHNRFFO-UHFFFAOYSA-N 1 2 326.396 2.439 50 0 EEAALO CC(C)c1nc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)o2)no1 ZINC000091809145 218069865 /nfs/dbraw/zinc/06/98/65/218069865.db2.gz BTHCSSXWOLIYAH-UHFFFAOYSA-N 1 2 329.360 2.303 50 0 EEAALO CC(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091848058 218075950 /nfs/dbraw/zinc/07/59/50/218075950.db2.gz IZTZODOXHAKURA-HNNXBMFYSA-N 1 2 348.472 2.244 50 0 EEAALO Cc1cc(NCCCn2ccnn2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095373938 218307148 /nfs/dbraw/zinc/30/71/48/218307148.db2.gz BSPOKQWEXBHQQF-UHFFFAOYSA-N 1 2 325.376 2.328 50 0 EEAALO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000006699916 210683641 /nfs/dbraw/zinc/68/36/41/210683641.db2.gz GOMPTVMMYRMTAR-UHFFFAOYSA-N 1 2 340.807 2.126 50 0 EEAALO CCOc1ccccc1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000055060329 132193234 /nfs/dbraw/zinc/19/32/34/132193234.db2.gz FAYKZOSZKBAJSR-UHFFFAOYSA-N 1 2 331.460 2.266 50 0 EEAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000034863384 132389317 /nfs/dbraw/zinc/38/93/17/132389317.db2.gz WCHGCOBWSHUHIC-MRXNPFEDSA-N 1 2 339.439 2.392 50 0 EEAALO CC[C@H](C(=O)Nc1nnc(C)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013941856 135703944 /nfs/dbraw/zinc/70/39/44/135703944.db2.gz VRCQQXZOAUIEQR-OAHLLOKOSA-N 1 2 345.472 2.386 50 0 EEAALO Cc1cc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[nH]n1 ZINC000125710430 292299110 /nfs/dbraw/zinc/29/91/10/292299110.db2.gz WEELQDVGLLFFOV-UHFFFAOYSA-N 1 2 325.372 2.175 50 0 EEAALO Cc1cc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n[nH]1 ZINC000125710430 292299114 /nfs/dbraw/zinc/29/91/14/292299114.db2.gz WEELQDVGLLFFOV-UHFFFAOYSA-N 1 2 325.372 2.175 50 0 EEAALO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000007718454 462747196 /nfs/dbraw/zinc/74/71/96/462747196.db2.gz JKSRLGMCFKJNTI-OAHLLOKOSA-N 1 2 349.431 2.077 50 0 EEAALO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000007718454 462747200 /nfs/dbraw/zinc/74/72/00/462747200.db2.gz JKSRLGMCFKJNTI-OAHLLOKOSA-N 1 2 349.431 2.077 50 0 EEAALO O=C(NCC1=CCC[N@H+](Cc2c[nH]cn2)C1)c1ccnc(Cl)c1 ZINC000065398404 462763722 /nfs/dbraw/zinc/76/37/22/462763722.db2.gz SUETYBNHXYPGGT-UHFFFAOYSA-N 1 2 331.807 2.020 50 0 EEAALO O=C(NCC1=CCC[N@@H+](Cc2c[nH]cn2)C1)c1ccnc(Cl)c1 ZINC000065398404 462763727 /nfs/dbraw/zinc/76/37/27/462763727.db2.gz SUETYBNHXYPGGT-UHFFFAOYSA-N 1 2 331.807 2.020 50 0 EEAALO O=C(NCC1=CCC[N@H+](Cc2cnc[nH]2)C1)c1ccnc(Cl)c1 ZINC000065398404 462763729 /nfs/dbraw/zinc/76/37/29/462763729.db2.gz SUETYBNHXYPGGT-UHFFFAOYSA-N 1 2 331.807 2.020 50 0 EEAALO O=C(NCC1=CCC[N@@H+](Cc2cnc[nH]2)C1)c1ccnc(Cl)c1 ZINC000065398404 462763733 /nfs/dbraw/zinc/76/37/33/462763733.db2.gz SUETYBNHXYPGGT-UHFFFAOYSA-N 1 2 331.807 2.020 50 0 EEAALO COCc1ncc(C[NH+]2CCN(c3nccc4ccccc43)CC2)cn1 ZINC000065419957 462769122 /nfs/dbraw/zinc/76/91/22/462769122.db2.gz MIORHLBQVURKHF-UHFFFAOYSA-N 1 2 349.438 2.493 50 0 EEAALO COc1ccc(C(C)=O)cc1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000008710172 462792138 /nfs/dbraw/zinc/79/21/38/462792138.db2.gz DPCOVRRVRMKBBQ-UHFFFAOYSA-N 1 2 337.379 2.404 50 0 EEAALO O=C(NCc1ccc[nH+]c1N1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000012575653 462858534 /nfs/dbraw/zinc/85/85/34/462858534.db2.gz YEJVZYIPHMTEDK-GOSISDBHSA-N 1 2 337.423 2.297 50 0 EEAALO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(F)c1 ZINC000012857324 462872344 /nfs/dbraw/zinc/87/23/44/462872344.db2.gz BZQRORBPLLEUSX-UHFFFAOYSA-N 1 2 347.434 2.407 50 0 EEAALO CN(C)C(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077485406 462993230 /nfs/dbraw/zinc/99/32/30/462993230.db2.gz RJFZBJCPLAKVNN-UHFFFAOYSA-N 1 2 346.479 2.070 50 0 EEAALO OCCNc1nc(NCc2ccc3c(c2)OCO3)[nH+]c2ccccc21 ZINC000024052479 463076807 /nfs/dbraw/zinc/07/68/07/463076807.db2.gz OPGSKJABCWWMOG-UHFFFAOYSA-N 1 2 338.367 2.375 50 0 EEAALO CCc1nnsc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025666236 463133888 /nfs/dbraw/zinc/13/38/88/463133888.db2.gz SKSDBJVSUQSKMJ-UHFFFAOYSA-N 1 2 327.413 2.275 50 0 EEAALO O=C(NCc1noc(-c2ccco2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097797787 463363288 /nfs/dbraw/zinc/36/32/88/463363288.db2.gz BXQBJZPOBAHAFQ-UHFFFAOYSA-N 1 2 335.323 2.445 50 0 EEAALO COc1cccc(CO[C@H](C)C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 ZINC000032659323 463385983 /nfs/dbraw/zinc/38/59/83/463385983.db2.gz SPIABNURFHKGQL-CQSZACIVSA-N 1 2 343.427 2.378 50 0 EEAALO Cc1cc(N2CCN(CC(=O)N3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000032797347 463395451 /nfs/dbraw/zinc/39/54/51/463395451.db2.gz UQBYSSBVENQHSV-UHFFFAOYSA-N 1 2 345.491 2.043 50 0 EEAALO Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000082230732 463521499 /nfs/dbraw/zinc/52/14/99/463521499.db2.gz ZXGQHLBPBKYKMG-UHFFFAOYSA-N 1 2 325.416 2.227 50 0 EEAALO Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000082230732 463521502 /nfs/dbraw/zinc/52/15/02/463521502.db2.gz ZXGQHLBPBKYKMG-UHFFFAOYSA-N 1 2 325.416 2.227 50 0 EEAALO C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)[N@@H+]1CCOC[C@@H]1C ZINC000107144737 463558664 /nfs/dbraw/zinc/55/86/64/463558664.db2.gz XSJWRWTUYACTOH-DYEKYZERSA-N 1 2 338.477 2.003 50 0 EEAALO C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)[N@H+]1CCOC[C@@H]1C ZINC000107144737 463558669 /nfs/dbraw/zinc/55/86/69/463558669.db2.gz XSJWRWTUYACTOH-DYEKYZERSA-N 1 2 338.477 2.003 50 0 EEAALO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058266133 463562780 /nfs/dbraw/zinc/56/27/80/463562780.db2.gz INSVWABSPBRODV-ZDUSSCGKSA-N 1 2 330.436 2.394 50 0 EEAALO O=C(NCc1ccco1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107589915 463575091 /nfs/dbraw/zinc/57/50/91/463575091.db2.gz OZASIEJUGNTMRS-QZTJIDSGSA-N 1 2 341.411 2.074 50 0 EEAALO O=C(NCc1ccco1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107589915 463575097 /nfs/dbraw/zinc/57/50/97/463575097.db2.gz OZASIEJUGNTMRS-QZTJIDSGSA-N 1 2 341.411 2.074 50 0 EEAALO C[C@@H]([NH2+]Cc1cccnc1N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000108488893 463606604 /nfs/dbraw/zinc/60/66/04/463606604.db2.gz QCBAGCPRBPEORD-TZMCWYRMSA-N 1 2 345.472 2.091 50 0 EEAALO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000110698348 463662578 /nfs/dbraw/zinc/66/25/78/463662578.db2.gz AJKAQYIBVNBQHI-HOCLYGCPSA-N 1 2 332.354 2.238 50 0 EEAALO Cc1cnc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000110698348 463662581 /nfs/dbraw/zinc/66/25/81/463662581.db2.gz AJKAQYIBVNBQHI-HOCLYGCPSA-N 1 2 332.354 2.238 50 0 EEAALO CC(C)Oc1cc(N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)nc(N)[nH+]1 ZINC000223010157 464135434 /nfs/dbraw/zinc/13/54/34/464135434.db2.gz QPKBINLDUADFGX-VHDGCEQUSA-N 1 2 343.431 2.035 50 0 EEAALO CC(C)Oc1cc(N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)[nH+]c(N)n1 ZINC000223010157 464135439 /nfs/dbraw/zinc/13/54/39/464135439.db2.gz QPKBINLDUADFGX-VHDGCEQUSA-N 1 2 343.431 2.035 50 0 EEAALO Cc1nc([C@H]2CCC[N@H+](Cc3nc(-c4cccnc4)no3)C2)no1 ZINC000252489994 464966411 /nfs/dbraw/zinc/96/64/11/464966411.db2.gz KGYFVJSMFWLPFY-ZDUSSCGKSA-N 1 2 326.360 2.203 50 0 EEAALO Cc1nc([C@H]2CCC[N@@H+](Cc3nc(-c4cccnc4)no3)C2)no1 ZINC000252489994 464966420 /nfs/dbraw/zinc/96/64/20/464966420.db2.gz KGYFVJSMFWLPFY-ZDUSSCGKSA-N 1 2 326.360 2.203 50 0 EEAALO COc1cc(C)c(-c2cncc(C(=O)N3CC[NH+](C)CC3)n2)c(C)c1 ZINC000426424178 536558183 /nfs/dbraw/zinc/55/81/83/536558183.db2.gz BNNBHBVTAZDHPM-UHFFFAOYSA-N 1 2 340.427 2.157 50 0 EEAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000055154224 214279943 /nfs/dbraw/zinc/27/99/43/214279943.db2.gz ZSKJHVXAFZQPKW-CYBMUJFWSA-N 1 2 342.443 2.274 50 0 EEAALO O=C(c1c(O)cccc1O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000055392877 214317405 /nfs/dbraw/zinc/31/74/05/214317405.db2.gz QHOMUNWTWMAKTH-UHFFFAOYSA-N 1 2 330.359 2.195 50 0 EEAALO COc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)c(OC)c1 ZINC000004248432 210151046 /nfs/dbraw/zinc/15/10/46/210151046.db2.gz KZJNGMGVHBJIBH-UHFFFAOYSA-N 1 2 325.368 2.324 50 0 EEAALO CC[C@@H](CO)N(Cc1ccco1)C(=O)CC1=CSC2=[NH+]CCN12 ZINC000102429708 219203285 /nfs/dbraw/zinc/20/32/85/219203285.db2.gz AMRIIYMLNQSCGI-LBPRGKRZSA-N 1 2 335.429 2.029 50 0 EEAALO 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