smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=[NH2+])NCC1=CCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000271861728 455791037 /nfs/dbraw/zinc/79/10/37/455791037.db2.gz ZAIQBXACFXKDJC-LLVKDONJSA-N 1 3 341.286 3.221 20 30 EGEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(OCCN(C)C)c2)c1 ZINC000264088612 455190676 /nfs/dbraw/zinc/19/06/76/455190676.db2.gz KIZRCNHMNOYAAF-UHFFFAOYSA-N 1 3 340.471 3.171 20 30 EGEDHO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000413125588 458294054 /nfs/dbraw/zinc/29/40/54/458294054.db2.gz IPACISJYKDHFHJ-UHFFFAOYSA-N 1 3 341.455 3.126 20 30 EGEDHO C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)C(C)C ZINC000424448958 458646540 /nfs/dbraw/zinc/64/65/40/458646540.db2.gz ZGGJFGYRTDZZPW-LJQANCHMSA-N 1 3 344.503 3.274 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000517756692 458832493 /nfs/dbraw/zinc/83/24/93/458832493.db2.gz KXLSBTMACUTZHP-HXUWFJFHSA-N 1 3 339.483 3.093 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000517756692 458832499 /nfs/dbraw/zinc/83/24/99/458832499.db2.gz KXLSBTMACUTZHP-HXUWFJFHSA-N 1 3 339.483 3.093 20 30 EGEDHO COc1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000440830186 458858984 /nfs/dbraw/zinc/85/89/84/458858984.db2.gz XJIFMQSBJKENFX-IRXDYDNUSA-N 1 3 329.488 3.415 20 30 EGEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000594968699 459200066 /nfs/dbraw/zinc/20/00/66/459200066.db2.gz HTCCCLGCGIVBPP-UHFFFAOYSA-N 1 3 326.469 3.017 20 30 EGEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000583989311 459630288 /nfs/dbraw/zinc/63/02/88/459630288.db2.gz VUDLAXGLIIXELZ-IBGZPJMESA-N 1 3 346.515 3.007 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000602647205 460042370 /nfs/dbraw/zinc/04/23/70/460042370.db2.gz WWBMDQQCYNFUNI-IEBWSBKVSA-N 1 3 333.520 3.472 20 30 EGEDHO COc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000742367083 576774226 /nfs/dbraw/zinc/77/42/26/576774226.db2.gz JLHRSTJOVNOSPP-CALCHBBNSA-N 1 3 329.488 3.415 20 30 EGEDHO COc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000742367083 576774227 /nfs/dbraw/zinc/77/42/27/576774227.db2.gz JLHRSTJOVNOSPP-CALCHBBNSA-N 1 3 329.488 3.415 20 30 EGEDHO CN(CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000304747292 1296938804 /nfs/dbraw/zinc/93/88/04/1296938804.db2.gz GFSDJKWWQDWRCF-UHFFFAOYSA-N 1 3 344.381 3.186 20 30 EGEDHO C=CCSc1ccccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353834 1321505244 /nfs/dbraw/zinc/50/52/44/1321505244.db2.gz MFXWQJBVOAVABJ-UHFFFAOYSA-N 1 3 333.501 3.105 20 30 EGEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440560 1323401854 /nfs/dbraw/zinc/40/18/54/1323401854.db2.gz RHWXKRHJNVPNIB-ICSRJNTNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440560 1323401861 /nfs/dbraw/zinc/40/18/61/1323401861.db2.gz RHWXKRHJNVPNIB-ICSRJNTNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001024617860 1323546785 /nfs/dbraw/zinc/54/67/85/1323546785.db2.gz LZPWHJLGFLAWCG-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001024617860 1323546789 /nfs/dbraw/zinc/54/67/89/1323546789.db2.gz LZPWHJLGFLAWCG-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231148 1324017855 /nfs/dbraw/zinc/01/78/55/1324017855.db2.gz GNYVEIFETYGJHM-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231148 1324017861 /nfs/dbraw/zinc/01/78/61/1324017861.db2.gz GNYVEIFETYGJHM-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257646 1324064107 /nfs/dbraw/zinc/06/41/07/1324064107.db2.gz FMNXYNYZIBCPEB-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257646 1324064112 /nfs/dbraw/zinc/06/41/12/1324064112.db2.gz FMNXYNYZIBCPEB-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624070 1324475225 /nfs/dbraw/zinc/47/52/25/1324475225.db2.gz AYJJAXCJPWEOQH-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624070 1324475230 /nfs/dbraw/zinc/47/52/30/1324475230.db2.gz AYJJAXCJPWEOQH-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968856711 1336069777 /nfs/dbraw/zinc/06/97/77/1336069777.db2.gz NCKRQWYMQDFNBW-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968856711 1336069779 /nfs/dbraw/zinc/06/97/79/1336069779.db2.gz NCKRQWYMQDFNBW-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016924749 1338771895 /nfs/dbraw/zinc/77/18/95/1338771895.db2.gz YEUHODHEQSXKRD-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001033573730 1341878937 /nfs/dbraw/zinc/87/89/37/1341878937.db2.gz IZHJSUSUDDKRNU-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001033573730 1341878939 /nfs/dbraw/zinc/87/89/39/1341878939.db2.gz IZHJSUSUDDKRNU-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210581 1342319851 /nfs/dbraw/zinc/31/98/51/1342319851.db2.gz IAUYMLUHOWRCIE-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210581 1342319853 /nfs/dbraw/zinc/31/98/53/1342319853.db2.gz IAUYMLUHOWRCIE-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125204 1345950337 /nfs/dbraw/zinc/95/03/37/1345950337.db2.gz PLVASJILLSJPDG-PKOBYXMFSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125204 1345950338 /nfs/dbraw/zinc/95/03/38/1345950338.db2.gz PLVASJILLSJPDG-PKOBYXMFSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837814 1348050342 /nfs/dbraw/zinc/05/03/42/1348050342.db2.gz RUGKZWMPRHJPRM-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837814 1348050345 /nfs/dbraw/zinc/05/03/45/1348050345.db2.gz RUGKZWMPRHJPRM-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049914872 1348109504 /nfs/dbraw/zinc/10/95/04/1348109504.db2.gz RMRFIWSXHDITSX-ZCNNSNEGSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049914872 1348109506 /nfs/dbraw/zinc/10/95/06/1348109506.db2.gz RMRFIWSXHDITSX-ZCNNSNEGSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052860013 1348706094 /nfs/dbraw/zinc/70/60/94/1348706094.db2.gz PIAADVLFIPATIH-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052860013 1348706096 /nfs/dbraw/zinc/70/60/96/1348706096.db2.gz PIAADVLFIPATIH-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141747 1349153140 /nfs/dbraw/zinc/15/31/40/1349153140.db2.gz ORDPGCSHGPTUQF-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141747 1349153143 /nfs/dbraw/zinc/15/31/43/1349153143.db2.gz ORDPGCSHGPTUQF-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCN3CC)cc2C1 ZINC001054292356 1349297729 /nfs/dbraw/zinc/29/77/29/1349297729.db2.gz BBKKVMLZJVHAQG-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCN3CC)cc2C1 ZINC001054292356 1349297732 /nfs/dbraw/zinc/29/77/32/1349297732.db2.gz BBKKVMLZJVHAQG-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918989 1358879012 /nfs/dbraw/zinc/87/90/12/1358879012.db2.gz QKQYELVEHPKBIC-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918989 1358879016 /nfs/dbraw/zinc/87/90/16/1358879016.db2.gz QKQYELVEHPKBIC-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400825 1360400916 /nfs/dbraw/zinc/40/09/16/1360400916.db2.gz LIJOJWDFVDPLEW-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400825 1360400919 /nfs/dbraw/zinc/40/09/19/1360400919.db2.gz LIJOJWDFVDPLEW-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089459685 1360446129 /nfs/dbraw/zinc/44/61/29/1360446129.db2.gz ZMASXBDQFOUEGC-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089459685 1360446131 /nfs/dbraw/zinc/44/61/31/1360446131.db2.gz ZMASXBDQFOUEGC-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430146 1361799581 /nfs/dbraw/zinc/79/95/81/1361799581.db2.gz DVLBVNXSLPRDSN-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430146 1361799583 /nfs/dbraw/zinc/79/95/83/1361799583.db2.gz DVLBVNXSLPRDSN-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095912360 1362284984 /nfs/dbraw/zinc/28/49/84/1362284984.db2.gz SWZRHAMELSYYEC-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095912360 1362284985 /nfs/dbraw/zinc/28/49/85/1362284985.db2.gz SWZRHAMELSYYEC-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095912363 1362285275 /nfs/dbraw/zinc/28/52/75/1362285275.db2.gz SWZRHAMELSYYEC-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095912363 1362285278 /nfs/dbraw/zinc/28/52/78/1362285278.db2.gz SWZRHAMELSYYEC-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116499 1363633286 /nfs/dbraw/zinc/63/32/86/1363633286.db2.gz SDWATTHTWQPCPH-ROUUACIJSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116499 1363633289 /nfs/dbraw/zinc/63/32/89/1363633289.db2.gz SDWATTHTWQPCPH-ROUUACIJSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153006 1363658315 /nfs/dbraw/zinc/65/83/15/1363658315.db2.gz CUVRIBOPSWZKDN-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099153973 1363660523 /nfs/dbraw/zinc/66/05/23/1363660523.db2.gz RJRHMYCCMNCDJM-MOPGFXCFSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099153973 1363660528 /nfs/dbraw/zinc/66/05/28/1363660528.db2.gz RJRHMYCCMNCDJM-MOPGFXCFSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099339317 1363759745 /nfs/dbraw/zinc/75/97/45/1363759745.db2.gz GNRWHIBHHARFFM-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364086 1364528824 /nfs/dbraw/zinc/52/88/24/1364528824.db2.gz MXWDBUGVHRGYFO-SBHAEUEKSA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364086 1364528825 /nfs/dbraw/zinc/52/88/25/1364528825.db2.gz MXWDBUGVHRGYFO-SBHAEUEKSA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364420 1364528936 /nfs/dbraw/zinc/52/89/36/1364528936.db2.gz SUUXQFHOZJHCAI-SBHAEUEKSA-N 1 3 349.563 3.079 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364420 1364528938 /nfs/dbraw/zinc/52/89/38/1364528938.db2.gz SUUXQFHOZJHCAI-SBHAEUEKSA-N 1 3 349.563 3.079 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001110626635 1367874929 /nfs/dbraw/zinc/87/49/29/1367874929.db2.gz JTQCMDUMCCPKCO-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001110626635 1367874934 /nfs/dbraw/zinc/87/49/34/1367874934.db2.gz JTQCMDUMCCPKCO-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905302 1367900958 /nfs/dbraw/zinc/90/09/58/1367900958.db2.gz DOFMUGXFPLCILA-RBUKOAKNSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905302 1367900962 /nfs/dbraw/zinc/90/09/62/1367900962.db2.gz DOFMUGXFPLCILA-RBUKOAKNSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388068 1368604652 /nfs/dbraw/zinc/60/46/52/1368604652.db2.gz ASOYPYJFJMGPBD-FQEVSTJZSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388068 1368604655 /nfs/dbraw/zinc/60/46/55/1368604655.db2.gz ASOYPYJFJMGPBD-FQEVSTJZSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001197769781 1368892931 /nfs/dbraw/zinc/89/29/31/1368892931.db2.gz ZCYLVGDHNRDRSW-IBGZPJMESA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001197769781 1368892935 /nfs/dbraw/zinc/89/29/35/1368892935.db2.gz ZCYLVGDHNRDRSW-IBGZPJMESA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973649 1369942924 /nfs/dbraw/zinc/94/29/24/1369942924.db2.gz LUFBCTRASIJUCE-SFHVURJKSA-N 1 3 337.552 3.434 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275492 1371009814 /nfs/dbraw/zinc/00/98/14/1371009814.db2.gz UGQBXWLIPAIGHN-GOSISDBHSA-N 1 3 337.552 3.127 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208013102 1371567370 /nfs/dbraw/zinc/56/73/70/1371567370.db2.gz AESBJKGUZZNTKQ-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C#CCCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209262873 1372053776 /nfs/dbraw/zinc/05/37/76/1372053776.db2.gz BGJKIXYCIZDHCM-KRWDZBQOSA-N 1 3 332.513 3.217 20 30 EGEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN(C)CCCCCC)C2)C1 ZINC001121919623 1372122590 /nfs/dbraw/zinc/12/25/90/1372122590.db2.gz XTNLRRKBQNEYAK-UHFFFAOYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183035 1372290091 /nfs/dbraw/zinc/29/00/91/1372290091.db2.gz KFJUSJHMJRVHJU-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337541 1375930884 /nfs/dbraw/zinc/93/08/84/1375930884.db2.gz NTJIZJGRGJORRS-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110833 1388461563 /nfs/dbraw/zinc/46/15/63/1388461563.db2.gz UKGVDYBHUXKDSS-SLFFLAALSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110833 1388461567 /nfs/dbraw/zinc/46/15/67/1388461567.db2.gz UKGVDYBHUXKDSS-SLFFLAALSA-N 1 3 349.563 3.386 20 30 EGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306605 1380555013 /nfs/dbraw/zinc/55/50/13/1380555013.db2.gz QZPAWBBHCSEXBU-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306605 1380555014 /nfs/dbraw/zinc/55/50/14/1380555014.db2.gz QZPAWBBHCSEXBU-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172299855 1384762954 /nfs/dbraw/zinc/76/29/54/1384762954.db2.gz OXFQKOCDYGVLFZ-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746858 1385681213 /nfs/dbraw/zinc/68/12/13/1385681213.db2.gz ODEJYRJETXQWMN-KRWDZBQOSA-N 1 3 331.504 3.203 20 30 EGEDHO C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)CN(CC)CC ZINC001177446241 1385959409 /nfs/dbraw/zinc/95/94/09/1385959409.db2.gz ZIUITNMPUZXBAY-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932579 1387247871 /nfs/dbraw/zinc/24/78/71/1387247871.db2.gz BIYIPSWARXSAIP-UYAOXDASSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001753748707 1440481909 /nfs/dbraw/zinc/48/19/09/1440481909.db2.gz UGNNDIKRAOUBGB-ICSRJNTNSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001754731723 1440679750 /nfs/dbraw/zinc/67/97/50/1440679750.db2.gz XFLRIEDCNJLKNS-CTNGQTDRSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001754731723 1440679751 /nfs/dbraw/zinc/67/97/51/1440679751.db2.gz XFLRIEDCNJLKNS-CTNGQTDRSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755733597 1440910609 /nfs/dbraw/zinc/91/06/09/1440910609.db2.gz LIYSOLCBBVIVAC-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO N#Cc1csc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000344307928 164151300 /nfs/dbraw/zinc/15/13/00/164151300.db2.gz NPOKBGIMWVZLKU-UHFFFAOYSA-N 1 3 341.480 3.384 20 30 EGEDHO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCNC1 ZINC000562960620 315930642 /nfs/dbraw/zinc/93/06/42/315930642.db2.gz RQKMHFQDACJCLX-SVUBNXHSSA-N 1 3 327.472 3.226 20 30 EGEDHO C[N@H+](CCOc1ccccc1C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383094553 324255211 /nfs/dbraw/zinc/25/52/11/324255211.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1ccccc1C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383094553 324255216 /nfs/dbraw/zinc/25/52/16/324255216.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@H+]1CC=C(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000345154626 456944503 /nfs/dbraw/zinc/94/45/03/456944503.db2.gz ADUXTIHTSFPZAF-UHFFFAOYSA-N 1 3 347.462 3.489 20 30 EGEDHO C[N@@H+]1CC=C(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000345154626 456944506 /nfs/dbraw/zinc/94/45/06/456944506.db2.gz ADUXTIHTSFPZAF-UHFFFAOYSA-N 1 3 347.462 3.489 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347031318 457197542 /nfs/dbraw/zinc/19/75/42/457197542.db2.gz YSTSWTBPAZHYMP-GOSISDBHSA-N 1 3 330.472 3.224 20 30 EGEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433342036 457815015 /nfs/dbraw/zinc/81/50/15/457815015.db2.gz IDJDPVRXFMUBGW-IBGZPJMESA-N 1 3 341.499 3.482 20 30 EGEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433342036 457815020 /nfs/dbraw/zinc/81/50/20/457815020.db2.gz IDJDPVRXFMUBGW-IBGZPJMESA-N 1 3 341.499 3.482 20 30 EGEDHO C[NH+](C)CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000433350359 457819029 /nfs/dbraw/zinc/81/90/29/457819029.db2.gz BSSKEDBQZLWXSC-MSOLQXFVSA-N 1 3 329.488 3.242 20 30 EGEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928221 458226336 /nfs/dbraw/zinc/22/63/36/458226336.db2.gz OVDURZDKTIMNEJ-MOPGFXCFSA-N 1 3 327.472 3.140 20 30 EGEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928221 458226344 /nfs/dbraw/zinc/22/63/44/458226344.db2.gz OVDURZDKTIMNEJ-MOPGFXCFSA-N 1 3 327.472 3.140 20 30 EGEDHO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OC ZINC000623411155 460533680 /nfs/dbraw/zinc/53/36/80/460533680.db2.gz VEROMWBUKQHDKU-AWEZNQCLSA-N 1 3 338.879 3.345 20 30 EGEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000303866104 1296863006 /nfs/dbraw/zinc/86/30/06/1296863006.db2.gz CGKXVWISQMJIQR-INIZCTEOSA-N 1 3 348.491 3.085 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000303891289 1296870841 /nfs/dbraw/zinc/87/08/41/1296870841.db2.gz MYXKNDBMFQXSLS-HZPDHXFCSA-N 1 3 332.492 3.463 20 30 EGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471270 1303119742 /nfs/dbraw/zinc/11/97/42/1303119742.db2.gz RQBBJLGVBINOTD-YLJYHZDGSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471270 1303119746 /nfs/dbraw/zinc/11/97/46/1303119746.db2.gz RQBBJLGVBINOTD-YLJYHZDGSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817916970 1319459665 /nfs/dbraw/zinc/45/96/65/1319459665.db2.gz BXGNBVRRBWCNRS-KBXCAEBGSA-N 1 3 338.455 3.381 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961374990 1319531267 /nfs/dbraw/zinc/53/12/67/1319531267.db2.gz NITRAVYPXFDCOL-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961374990 1319531270 /nfs/dbraw/zinc/53/12/70/1319531270.db2.gz NITRAVYPXFDCOL-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079832 1319629795 /nfs/dbraw/zinc/62/97/95/1319629795.db2.gz WXFYCCWJNOLKPP-VGSWGCGISA-N 1 3 349.478 3.407 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523882 1323470457 /nfs/dbraw/zinc/47/04/57/1323470457.db2.gz RLVCRQDHWMEXGU-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523882 1323470459 /nfs/dbraw/zinc/47/04/59/1323470459.db2.gz RLVCRQDHWMEXGU-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628650 1324479092 /nfs/dbraw/zinc/47/90/92/1324479092.db2.gz SLKPBGTZMLPBEW-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628650 1324479095 /nfs/dbraw/zinc/47/90/95/1324479095.db2.gz SLKPBGTZMLPBEW-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C(#CC[NH2+][C@H](c1ccncc1)C1CC1)CN[C@H](c1ccncc1)C1CC1 ZINC000934699839 1330000829 /nfs/dbraw/zinc/00/08/29/1330000829.db2.gz XPIWJTDELKTVKN-VXKWHMMOSA-N 1 3 346.478 3.262 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001008273778 1336811643 /nfs/dbraw/zinc/81/16/43/1336811643.db2.gz AHFLJEMJXHULDM-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001008273778 1336811645 /nfs/dbraw/zinc/81/16/45/1336811645.db2.gz AHFLJEMJXHULDM-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125203 1345950349 /nfs/dbraw/zinc/95/03/49/1345950349.db2.gz PLVASJILLSJPDG-MJGOQNOKSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125203 1345950350 /nfs/dbraw/zinc/95/03/50/1345950350.db2.gz PLVASJILLSJPDG-MJGOQNOKSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958349 1346793424 /nfs/dbraw/zinc/79/34/24/1346793424.db2.gz QIFFWYRIOVUXEH-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958349 1346793426 /nfs/dbraw/zinc/79/34/26/1346793426.db2.gz QIFFWYRIOVUXEH-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245319 1349239416 /nfs/dbraw/zinc/23/94/16/1349239416.db2.gz RMHZTXOOPUTICY-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245319 1349239418 /nfs/dbraw/zinc/23/94/18/1349239418.db2.gz RMHZTXOOPUTICY-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597745 1358623786 /nfs/dbraw/zinc/62/37/86/1358623786.db2.gz FHUKWJDGZKTZEQ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597745 1358623790 /nfs/dbraw/zinc/62/37/90/1358623790.db2.gz FHUKWJDGZKTZEQ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001088395025 1359870965 /nfs/dbraw/zinc/87/09/65/1359870965.db2.gz VCLCHVGVDWAYCQ-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098820092 1363481682 /nfs/dbraw/zinc/48/16/82/1363481682.db2.gz FYLATBUATBHNLG-AZUAARDMSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101272299 1364494116 /nfs/dbraw/zinc/49/41/16/1364494116.db2.gz FITDLWCDHPLLJA-DYXWJJEUSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101272299 1364494118 /nfs/dbraw/zinc/49/41/18/1364494118.db2.gz FITDLWCDHPLLJA-DYXWJJEUSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001101547660 1364611489 /nfs/dbraw/zinc/61/14/89/1364611489.db2.gz KRWRPMMNBNQESN-UHFFFAOYSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357289 1387691190 /nfs/dbraw/zinc/69/11/90/1387691190.db2.gz BYJQEEYEQWJEAV-OALUTQOASA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495854 1365597336 /nfs/dbraw/zinc/59/73/36/1365597336.db2.gz VZZCYLDFHXOPDL-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495854 1365597338 /nfs/dbraw/zinc/59/73/38/1365597338.db2.gz VZZCYLDFHXOPDL-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753722 1365764989 /nfs/dbraw/zinc/76/49/89/1365764989.db2.gz XGYKACWGAAGDPT-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753722 1365764991 /nfs/dbraw/zinc/76/49/91/1365764991.db2.gz XGYKACWGAAGDPT-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683582 1366130613 /nfs/dbraw/zinc/13/06/13/1366130613.db2.gz MPXZSDVEUMHEIH-CEXWTWQISA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938251 1366231736 /nfs/dbraw/zinc/23/17/36/1366231736.db2.gz QGOQMDCQGGXEIM-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688436 1367283332 /nfs/dbraw/zinc/28/33/32/1367283332.db2.gz OYDWEZFFMZAJLS-YDZRNGNQSA-N 1 3 335.536 3.041 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688436 1367283337 /nfs/dbraw/zinc/28/33/37/1367283337.db2.gz OYDWEZFFMZAJLS-YDZRNGNQSA-N 1 3 335.536 3.041 20 30 EGEDHO CCCCCCCCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001201852641 1369634504 /nfs/dbraw/zinc/63/45/04/1369634504.db2.gz GALSZCUSBKARDS-UHFFFAOYSA-N 1 3 337.552 3.399 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973648 1369942601 /nfs/dbraw/zinc/94/26/01/1369942601.db2.gz LUFBCTRASIJUCE-GOSISDBHSA-N 1 3 337.552 3.434 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507766 1370148891 /nfs/dbraw/zinc/14/88/91/1370148891.db2.gz UYHGICZVRNTYOA-RBUKOAKNSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CCCCCC)CCCCC1 ZINC001115776564 1370759279 /nfs/dbraw/zinc/75/92/79/1370759279.db2.gz TXYLRSMEOISBSE-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206302402 1371015990 /nfs/dbraw/zinc/01/59/90/1371015990.db2.gz YHWPLFJDWKXUHS-SFHVURJKSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120045699 1371467214 /nfs/dbraw/zinc/46/72/14/1371467214.db2.gz FWSWRCQKXAZJEU-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189658 1371502946 /nfs/dbraw/zinc/50/29/46/1371502946.db2.gz NFNNVPPCCYVOQU-HOTGVXAUSA-N 1 3 341.927 3.020 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189722 1371503270 /nfs/dbraw/zinc/50/32/70/1371503270.db2.gz PVDHUGRWAGYCSS-HDICACEKSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208073559 1371588669 /nfs/dbraw/zinc/58/86/69/1371588669.db2.gz DYBIYUKAHRMVCP-RLLQIKCJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208073559 1371588671 /nfs/dbraw/zinc/58/86/71/1371588671.db2.gz DYBIYUKAHRMVCP-RLLQIKCJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001122004878 1372150974 /nfs/dbraw/zinc/15/09/74/1372150974.db2.gz CPFLBOIPMQDJLL-LPHOPBHVSA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001122004878 1372150979 /nfs/dbraw/zinc/15/09/79/1372150979.db2.gz CPFLBOIPMQDJLL-LPHOPBHVSA-N 1 3 345.487 3.029 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661737 1372164247 /nfs/dbraw/zinc/16/42/47/1372164247.db2.gz ZOBHUFLMFSQLII-GOSISDBHSA-N 1 3 337.552 3.269 20 30 EGEDHO CCc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc(CC)c1C#N ZINC001219114021 1373688297 /nfs/dbraw/zinc/68/82/97/1373688297.db2.gz AKUKYUVJGPNJTH-IBGZPJMESA-N 1 3 344.503 3.117 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225541984 1375122400 /nfs/dbraw/zinc/12/24/00/1375122400.db2.gz FQWYJCKTCXPUDS-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274542 1375888664 /nfs/dbraw/zinc/88/86/64/1375888664.db2.gz JUJHPCJGADTCOC-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219287 1382345428 /nfs/dbraw/zinc/34/54/28/1382345428.db2.gz BCSJERXBGAWLTN-UHFFFAOYSA-N 1 3 335.536 3.069 20 30 EGEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219287 1382345434 /nfs/dbraw/zinc/34/54/34/1382345434.db2.gz BCSJERXBGAWLTN-UHFFFAOYSA-N 1 3 335.536 3.069 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504334 1382424722 /nfs/dbraw/zinc/42/47/22/1382424722.db2.gz IGJWHACKHWZZGM-UHFFFAOYSA-N 1 3 337.552 3.437 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504334 1382424725 /nfs/dbraw/zinc/42/47/25/1382424725.db2.gz IGJWHACKHWZZGM-UHFFFAOYSA-N 1 3 337.552 3.437 20 30 EGEDHO C=CCCCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687487 1383460541 /nfs/dbraw/zinc/46/05/41/1383460541.db2.gz TYRUMZNXONDKPW-LJQANCHMSA-N 1 3 341.515 3.041 20 30 EGEDHO CN(C)/C=N/c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1C#N ZINC001167626597 1383692526 /nfs/dbraw/zinc/69/25/26/1383692526.db2.gz OSDHSGKQLPSFKE-LPYMAVHISA-N 1 3 327.476 3.264 20 30 EGEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387556 1383892202 /nfs/dbraw/zinc/89/22/02/1383892202.db2.gz KCUFAZKZLNOREJ-OAQYLSRUSA-N 1 3 339.483 3.276 20 30 EGEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387556 1383892206 /nfs/dbraw/zinc/89/22/06/1383892206.db2.gz KCUFAZKZLNOREJ-OAQYLSRUSA-N 1 3 339.483 3.276 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C)CC1 ZINC001176739264 1385677497 /nfs/dbraw/zinc/67/74/97/1385677497.db2.gz WGPZWCGEJMOPDF-SFHVURJKSA-N 1 3 349.563 3.032 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177415784 1385948752 /nfs/dbraw/zinc/94/87/52/1385948752.db2.gz LJYZBZFGBRBUFF-LJQANCHMSA-N 1 3 349.563 3.293 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCC ZINC001177466760 1385966785 /nfs/dbraw/zinc/96/67/85/1385966785.db2.gz FUKVYECIBFDCJB-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179550242 1386511799 /nfs/dbraw/zinc/51/17/99/1386511799.db2.gz SYTZLFYVNGSOQU-ROUUACIJSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580745 1386522121 /nfs/dbraw/zinc/52/21/21/1386522121.db2.gz OJEBDPTUYOFZFJ-IBGZPJMESA-N 1 3 337.552 3.483 20 30 EGEDHO CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182933616 1387248548 /nfs/dbraw/zinc/24/85/48/1387248548.db2.gz LHIWSNJDEVABKT-UYAOXDASSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752442675 1440181733 /nfs/dbraw/zinc/18/17/33/1440181733.db2.gz YMEFULDEPIZFLF-UYAOXDASSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001753562606 1440437138 /nfs/dbraw/zinc/43/71/38/1440437138.db2.gz SYCXHVXFEFBHEO-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960715 453890360 /nfs/dbraw/zinc/89/03/60/453890360.db2.gz QBFMJWDWMGDLJE-SFHVURJKSA-N 1 3 337.552 3.243 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960715 453890362 /nfs/dbraw/zinc/89/03/62/453890362.db2.gz QBFMJWDWMGDLJE-SFHVURJKSA-N 1 3 337.552 3.243 20 30 EGEDHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(C#N)c1 ZINC000095987886 454252917 /nfs/dbraw/zinc/25/29/17/454252917.db2.gz ZZKGGGXHANOBGJ-QGZVFWFLSA-N 1 3 349.478 3.366 20 30 EGEDHO CCCC[N@H+](C)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000052210272 454661414 /nfs/dbraw/zinc/66/14/14/454661414.db2.gz DFPUGSIUHSVUKX-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO CCCC[N@@H+](C)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000052210272 454661417 /nfs/dbraw/zinc/66/14/17/454661417.db2.gz DFPUGSIUHSVUKX-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO CC1CCN(C(=[NH2+])NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000264094879 455190536 /nfs/dbraw/zinc/19/05/36/455190536.db2.gz MELBYRZRSCFFHQ-INIZCTEOSA-N 1 3 334.533 3.007 20 30 EGEDHO COc1ccc(NC(=[NH2+])NCC2(N(C)C)CCCCCC2)cc1OC ZINC000264109128 455191710 /nfs/dbraw/zinc/19/17/10/455191710.db2.gz OHLLTMFVQJXCAG-UHFFFAOYSA-N 1 3 348.491 3.085 20 30 EGEDHO C[NH+]1CCC(Oc2ccc(CNCc3cccc(C#N)c3)cc2)CC1 ZINC000284143771 455642878 /nfs/dbraw/zinc/64/28/78/455642878.db2.gz VHWBFARJKGPJGD-UHFFFAOYSA-N 1 3 335.451 3.321 20 30 EGEDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353429910 456694627 /nfs/dbraw/zinc/69/46/27/456694627.db2.gz VEQDLPQFRPDLLI-OAQYLSRUSA-N 1 3 335.451 3.276 20 30 EGEDHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000354033034 457022110 /nfs/dbraw/zinc/02/21/10/457022110.db2.gz HHKPTOOQUPLUMM-ROUUACIJSA-N 1 3 341.499 3.270 20 30 EGEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443590959 457784675 /nfs/dbraw/zinc/78/46/75/457784675.db2.gz JYRPEIOOEXCCSP-LJQANCHMSA-N 1 3 347.547 3.164 20 30 EGEDHO CC(C)[N@H+](C)CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000532950329 459166801 /nfs/dbraw/zinc/16/68/01/459166801.db2.gz XVTJAOWCXUWWMN-UHFFFAOYSA-N 1 3 348.516 3.001 20 30 EGEDHO CC(C)[N@@H+](C)CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000532950329 459166804 /nfs/dbraw/zinc/16/68/04/459166804.db2.gz XVTJAOWCXUWWMN-UHFFFAOYSA-N 1 3 348.516 3.001 20 30 EGEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598713309 460003756 /nfs/dbraw/zinc/00/37/56/460003756.db2.gz ANYYKEHIRNCMSD-YLJYHZDGSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598713309 460003762 /nfs/dbraw/zinc/00/37/62/460003762.db2.gz ANYYKEHIRNCMSD-YLJYHZDGSA-N 1 3 343.515 3.309 20 30 EGEDHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000304760494 1296941518 /nfs/dbraw/zinc/94/15/18/1296941518.db2.gz SMKTZTSDNHSDAG-UHFFFAOYSA-N 1 3 348.922 3.353 20 30 EGEDHO C#C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000809781458 1317899140 /nfs/dbraw/zinc/89/91/40/1317899140.db2.gz RONUVHAQSYAWBJ-HXUWFJFHSA-N 1 3 327.516 3.355 20 30 EGEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000924693288 1323116112 /nfs/dbraw/zinc/11/61/12/1323116112.db2.gz XFYIGOJHVJAKRZ-GOSISDBHSA-N 1 3 342.531 3.242 20 30 EGEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040433590 1345496101 /nfs/dbraw/zinc/49/61/01/1345496101.db2.gz XVRWWODEIDTVFW-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040433590 1345496104 /nfs/dbraw/zinc/49/61/04/1345496104.db2.gz XVRWWODEIDTVFW-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937796 1346774240 /nfs/dbraw/zinc/77/42/40/1346774240.db2.gz KPJJEHJGKXVSAX-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937796 1346774243 /nfs/dbraw/zinc/77/42/43/1346774243.db2.gz KPJJEHJGKXVSAX-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913518 1348108867 /nfs/dbraw/zinc/10/88/67/1348108867.db2.gz ZFDIYKBPBLBMLS-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913518 1348108868 /nfs/dbraw/zinc/10/88/68/1348108868.db2.gz ZFDIYKBPBLBMLS-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921404 1348114080 /nfs/dbraw/zinc/11/40/80/1348114080.db2.gz WGMZXHFJFLBHBS-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921404 1348114081 /nfs/dbraw/zinc/11/40/81/1348114081.db2.gz WGMZXHFJFLBHBS-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583707 1376608712 /nfs/dbraw/zinc/60/87/12/1376608712.db2.gz NMDPCYWMESEQQO-SJORKVTESA-N 1 3 325.541 3.314 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792157 1359648180 /nfs/dbraw/zinc/64/81/80/1359648180.db2.gz PSTXSEQTPXWPHQ-IPMKNSEASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792157 1359648186 /nfs/dbraw/zinc/64/81/86/1359648186.db2.gz PSTXSEQTPXWPHQ-IPMKNSEASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380557 1360383487 /nfs/dbraw/zinc/38/34/87/1360383487.db2.gz FWTMMINZNKTXEB-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380557 1360383490 /nfs/dbraw/zinc/38/34/90/1360383490.db2.gz FWTMMINZNKTXEB-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510611 1360482217 /nfs/dbraw/zinc/48/22/17/1360482217.db2.gz YVCWDRSGSWESRY-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510611 1360482218 /nfs/dbraw/zinc/48/22/18/1360482218.db2.gz YVCWDRSGSWESRY-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638904 1360552731 /nfs/dbraw/zinc/55/27/31/1360552731.db2.gz IYURUBUGJOBEDE-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638904 1360552733 /nfs/dbraw/zinc/55/27/33/1360552733.db2.gz IYURUBUGJOBEDE-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089645943 1360558135 /nfs/dbraw/zinc/55/81/35/1360558135.db2.gz DSUZALCTYQFUSW-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089645943 1360558138 /nfs/dbraw/zinc/55/81/38/1360558138.db2.gz DSUZALCTYQFUSW-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001096313444 1362459876 /nfs/dbraw/zinc/45/98/76/1362459876.db2.gz GTUSYABYQUZTQD-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001096313444 1362459879 /nfs/dbraw/zinc/45/98/79/1362459879.db2.gz GTUSYABYQUZTQD-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001099103002 1363623133 /nfs/dbraw/zinc/62/31/33/1363623133.db2.gz SZUYLOHZDPFRQC-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001099103002 1363623136 /nfs/dbraw/zinc/62/31/36/1363623136.db2.gz SZUYLOHZDPFRQC-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229716 1363703354 /nfs/dbraw/zinc/70/33/54/1363703354.db2.gz MFYXKXYUESRRPX-QZTJIDSGSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100732201 1364240110 /nfs/dbraw/zinc/24/01/10/1364240110.db2.gz XTTMTOKZJLJVMG-XEVCZEQESA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(Cl)CNC1CC(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001100856420 1364294260 /nfs/dbraw/zinc/29/42/60/1364294260.db2.gz DGDOBJNGHRRXHU-UHFFFAOYSA-N 1 3 343.943 3.126 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001101547678 1364611639 /nfs/dbraw/zinc/61/16/39/1364611639.db2.gz LUMMJBRLUWHBIY-LJQANCHMSA-N 1 3 349.563 3.147 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047920 1364822790 /nfs/dbraw/zinc/82/27/90/1364822790.db2.gz XYVIOMWPBOJQDW-QZTJIDSGSA-N 1 3 337.552 3.125 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047920 1364822791 /nfs/dbraw/zinc/82/27/91/1364822791.db2.gz XYVIOMWPBOJQDW-QZTJIDSGSA-N 1 3 337.552 3.125 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185750956 1387789644 /nfs/dbraw/zinc/78/96/44/1387789644.db2.gz MXIHKGSPFVNZAI-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565770 1366533943 /nfs/dbraw/zinc/53/39/43/1366533943.db2.gz ASMHDJPHJZEWNE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107035572 1366862012 /nfs/dbraw/zinc/86/20/12/1366862012.db2.gz NEVAMJOQBHTITL-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495035 1366994705 /nfs/dbraw/zinc/99/47/05/1366994705.db2.gz HDVBDPDIYWPOBY-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495035 1366994709 /nfs/dbraw/zinc/99/47/09/1366994709.db2.gz HDVBDPDIYWPOBY-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780669 1367592389 /nfs/dbraw/zinc/59/23/89/1367592389.db2.gz JESQKZUJYDPPPP-UFYCRDLUSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531512 1368917026 /nfs/dbraw/zinc/91/70/26/1368917026.db2.gz AUVYRYBTIYGHQA-ZJOUEHCJSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186598243 1387981904 /nfs/dbraw/zinc/98/19/04/1387981904.db2.gz RZMHDGPVWHOVCY-GOSISDBHSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186598243 1387981907 /nfs/dbraw/zinc/98/19/07/1387981907.db2.gz RZMHDGPVWHOVCY-GOSISDBHSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030210 1369960682 /nfs/dbraw/zinc/96/06/82/1369960682.db2.gz XJKAMEMIFBXNLE-QZTJIDSGSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659792 1370205961 /nfs/dbraw/zinc/20/59/61/1370205961.db2.gz KZRHKQBJGARWCL-MSOLQXFVSA-N 1 3 344.503 3.024 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203895921 1370304293 /nfs/dbraw/zinc/30/42/93/1370304293.db2.gz CCVNGLSALVZSKF-QGZVFWFLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208003 1371505462 /nfs/dbraw/zinc/50/54/62/1371505462.db2.gz QDXVACXUYJEMOL-SFHVURJKSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121237689 1371903178 /nfs/dbraw/zinc/90/31/78/1371903178.db2.gz AYFZCWYZAYVVAR-UHFFFAOYSA-N 1 3 349.563 3.458 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209475881 1372116368 /nfs/dbraw/zinc/11/63/68/1372116368.db2.gz RJOPLTBLDFYCSK-ZWKOTPCHSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689032 1372170672 /nfs/dbraw/zinc/17/06/72/1372170672.db2.gz IRDKQIFXMUFTHT-GOSISDBHSA-N 1 3 337.552 3.291 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256595 1372513378 /nfs/dbraw/zinc/51/33/78/1372513378.db2.gz JRPSLYUTKCLLDD-OALUTQOASA-N 1 3 337.552 3.412 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001221933673 1373806232 /nfs/dbraw/zinc/80/62/32/1373806232.db2.gz KGIZCULVAOLJLI-HSALFYBXSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001221933673 1373806236 /nfs/dbraw/zinc/80/62/36/1373806236.db2.gz KGIZCULVAOLJLI-HSALFYBXSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402485 1375066237 /nfs/dbraw/zinc/06/62/37/1375066237.db2.gz JSFYIPWYBYUILI-LJQANCHMSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132830212 1375587430 /nfs/dbraw/zinc/58/74/30/1375587430.db2.gz BEKQYYIAYNEAOQ-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346743 1375934684 /nfs/dbraw/zinc/93/46/84/1375934684.db2.gz ONUZNEDQRQJOKQ-OALUTQOASA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001230334043 1375999155 /nfs/dbraw/zinc/99/91/55/1375999155.db2.gz DOXVEPBLJGLMED-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235969116 1376924155 /nfs/dbraw/zinc/92/41/55/1376924155.db2.gz OOMPZSQOSGUTPF-JOCHJYFZSA-N 1 3 347.462 3.247 20 30 EGEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226833 1379136905 /nfs/dbraw/zinc/13/69/05/1379136905.db2.gz UXXYCLUULOEOPA-GOSISDBHSA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226833 1379136906 /nfs/dbraw/zinc/13/69/06/1379136906.db2.gz UXXYCLUULOEOPA-GOSISDBHSA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227332 1380426690 /nfs/dbraw/zinc/42/66/90/1380426690.db2.gz ZIDOKGODAIPZRW-QZTJIDSGSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227332 1380426691 /nfs/dbraw/zinc/42/66/91/1380426691.db2.gz ZIDOKGODAIPZRW-QZTJIDSGSA-N 1 3 325.541 3.268 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473651 1381257787 /nfs/dbraw/zinc/25/77/87/1381257787.db2.gz OPKACGONRUOCAA-WOJBJXKFSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473651 1381257791 /nfs/dbraw/zinc/25/77/91/1381257791.db2.gz OPKACGONRUOCAA-WOJBJXKFSA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485169 1383301381 /nfs/dbraw/zinc/30/13/81/1383301381.db2.gz NYGXKOPDJZQUQU-GOSISDBHSA-N 1 3 337.552 3.173 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335411 1383875935 /nfs/dbraw/zinc/87/59/35/1383875935.db2.gz IACISLCKOLQXKL-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177317021 1385911008 /nfs/dbraw/zinc/91/10/08/1385911008.db2.gz MTLZHMLLTBSAEN-IBGZPJMESA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698192 1386281391 /nfs/dbraw/zinc/28/13/91/1386281391.db2.gz BEDHSRQGOHTVRI-IBGZPJMESA-N 1 3 337.552 3.339 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001181476227 1387001630 /nfs/dbraw/zinc/00/16/30/1387001630.db2.gz IANVMRTZXUJGJV-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001692098421 1405771321 /nfs/dbraw/zinc/77/13/21/1405771321.db2.gz XHOZYHQCFHSLTC-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001692098421 1405771323 /nfs/dbraw/zinc/77/13/23/1405771323.db2.gz XHOZYHQCFHSLTC-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784219 1440210494 /nfs/dbraw/zinc/21/04/94/1440210494.db2.gz XNZAMIUMPDKIOZ-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784219 1440210495 /nfs/dbraw/zinc/21/04/95/1440210495.db2.gz XNZAMIUMPDKIOZ-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754946577 1440713379 /nfs/dbraw/zinc/71/33/79/1440713379.db2.gz NOQAJCRXWZEZFT-SFHVURJKSA-N 1 3 343.515 3.185 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755733596 1440910659 /nfs/dbraw/zinc/91/06/59/1440910659.db2.gz LIYSOLCBBVIVAC-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001755844470 1440932652 /nfs/dbraw/zinc/93/26/52/1440932652.db2.gz WSYBARQYOKPCKQ-ZWKOTPCHSA-N 1 3 349.563 3.432 20 30 EGEDHO COc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000192919902 153266078 /nfs/dbraw/zinc/26/60/78/153266078.db2.gz HDOXWFZYVMKUIR-IBGZPJMESA-N 1 3 335.451 3.179 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@@H+](CC)CCC)cc2)CC1 ZINC000264524289 455230394 /nfs/dbraw/zinc/23/03/94/455230394.db2.gz XXVXFGRCGCGLJV-UHFFFAOYSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000264524289 455230399 /nfs/dbraw/zinc/23/03/99/455230399.db2.gz XXVXFGRCGCGLJV-UHFFFAOYSA-N 1 3 343.515 3.299 20 30 EGEDHO C[C@@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185723535 455606029 /nfs/dbraw/zinc/60/60/29/455606029.db2.gz GTVQGYJATZHZBU-SJLPKXTDSA-N 1 3 327.472 3.180 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000280793655 456053428 /nfs/dbraw/zinc/05/34/28/456053428.db2.gz JVCHOBAKHBCXHK-POAQFYNOSA-N 1 3 332.488 3.259 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000280875738 456070827 /nfs/dbraw/zinc/07/08/27/456070827.db2.gz OSDKTFREUXCHKJ-HQRMLTQVSA-N 1 3 332.488 3.259 20 30 EGEDHO N=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cc(F)ccc1F ZINC000288644361 456101192 /nfs/dbraw/zinc/10/11/92/456101192.db2.gz DELJRXGWSKZEQZ-UHFFFAOYSA-N 1 3 344.409 3.487 20 30 EGEDHO C[NH+](C)CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000433350360 457819079 /nfs/dbraw/zinc/81/90/79/457819079.db2.gz BSSKEDBQZLWXSC-QZTJIDSGSA-N 1 3 329.488 3.242 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000442721772 459027455 /nfs/dbraw/zinc/02/74/55/459027455.db2.gz ULRDJKCKMALDKL-UXHICEINSA-N 1 3 340.515 3.179 20 30 EGEDHO C=CCCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000520968293 459106895 /nfs/dbraw/zinc/10/68/95/459106895.db2.gz KYYUPMJVZYHOSX-NRFANRHFSA-N 1 3 327.516 3.235 20 30 EGEDHO C=CCCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520968293 459106897 /nfs/dbraw/zinc/10/68/97/459106897.db2.gz KYYUPMJVZYHOSX-NRFANRHFSA-N 1 3 327.516 3.235 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000602529962 459985636 /nfs/dbraw/zinc/98/56/36/459985636.db2.gz DDVQIECDDXBEPJ-KRWDZBQOSA-N 1 3 333.520 3.330 20 30 EGEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713308 460003406 /nfs/dbraw/zinc/00/34/06/460003406.db2.gz ANYYKEHIRNCMSD-XLIONFOSSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713308 460003416 /nfs/dbraw/zinc/00/34/16/460003416.db2.gz ANYYKEHIRNCMSD-XLIONFOSSA-N 1 3 343.515 3.309 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000598728748 460008768 /nfs/dbraw/zinc/00/87/68/460008768.db2.gz VFHYUIBCHAQFRT-WOJBJXKFSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000598728748 460008773 /nfs/dbraw/zinc/00/87/73/460008773.db2.gz VFHYUIBCHAQFRT-WOJBJXKFSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728748 460008781 /nfs/dbraw/zinc/00/87/81/460008781.db2.gz VFHYUIBCHAQFRT-WOJBJXKFSA-N 1 3 343.515 3.179 20 30 EGEDHO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192917561 1295813872 /nfs/dbraw/zinc/81/38/72/1295813872.db2.gz KCNABPLRKHRGMA-FQEVSTJZSA-N 1 3 334.463 3.310 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000247240144 1296385958 /nfs/dbraw/zinc/38/59/58/1296385958.db2.gz ZNZDOTUXJQRLCD-VQIMIIECSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000247240144 1296385970 /nfs/dbraw/zinc/38/59/70/1296385970.db2.gz ZNZDOTUXJQRLCD-VQIMIIECSA-N 1 3 330.472 3.045 20 30 EGEDHO CC(C)N(CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000303702882 1296844161 /nfs/dbraw/zinc/84/41/61/1296844161.db2.gz JEGYEYGWIPPMEX-UHFFFAOYSA-N 1 3 346.397 3.431 20 30 EGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471269 1303119616 /nfs/dbraw/zinc/11/96/16/1303119616.db2.gz RQBBJLGVBINOTD-XLIONFOSSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471269 1303119619 /nfs/dbraw/zinc/11/96/19/1303119619.db2.gz RQBBJLGVBINOTD-XLIONFOSSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000902808273 1317619929 /nfs/dbraw/zinc/61/99/29/1317619929.db2.gz HNGGKPFSUOUYFH-PXNSSMCTSA-N 1 3 327.472 3.100 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001024617857 1323547379 /nfs/dbraw/zinc/54/73/79/1323547379.db2.gz LZPWHJLGFLAWCG-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001024617857 1323547384 /nfs/dbraw/zinc/54/73/84/1323547384.db2.gz LZPWHJLGFLAWCG-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306351 1325087550 /nfs/dbraw/zinc/08/75/50/1325087550.db2.gz NXXGLWGYRXIFNW-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306351 1325087560 /nfs/dbraw/zinc/08/75/60/1325087560.db2.gz NXXGLWGYRXIFNW-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034437563 1342500507 /nfs/dbraw/zinc/50/05/07/1342500507.db2.gz HJOKZYBVJPSMLJ-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034437563 1342500512 /nfs/dbraw/zinc/50/05/12/1342500512.db2.gz HJOKZYBVJPSMLJ-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039308988 1345007214 /nfs/dbraw/zinc/00/72/14/1345007214.db2.gz BKBNNHNWBGGIQV-YQQQUEKLSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452227 1345075126 /nfs/dbraw/zinc/07/51/26/1345075126.db2.gz MMMUOABYEHMBJK-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001089648698 1360562213 /nfs/dbraw/zinc/56/22/13/1360562213.db2.gz PSVYOKWDPQJSTA-MRXNPFEDSA-N 1 3 349.544 3.216 20 30 EGEDHO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001089648698 1360562215 /nfs/dbraw/zinc/56/22/15/1360562215.db2.gz PSVYOKWDPQJSTA-MRXNPFEDSA-N 1 3 349.544 3.216 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120736 1361533262 /nfs/dbraw/zinc/53/32/62/1361533262.db2.gz LLQAVYUDBWUHOW-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120736 1361533266 /nfs/dbraw/zinc/53/32/66/1361533266.db2.gz LLQAVYUDBWUHOW-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094555658 1361857698 /nfs/dbraw/zinc/85/76/98/1361857698.db2.gz FZPPMCRXWOGJAJ-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094555658 1361857703 /nfs/dbraw/zinc/85/77/03/1361857703.db2.gz FZPPMCRXWOGJAJ-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130844 1363643061 /nfs/dbraw/zinc/64/30/61/1363643061.db2.gz SXWZSKDIWRSSHA-KRWDZBQOSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130844 1363643065 /nfs/dbraw/zinc/64/30/65/1363643065.db2.gz SXWZSKDIWRSSHA-KRWDZBQOSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099154048 1363660113 /nfs/dbraw/zinc/66/01/13/1363660113.db2.gz TYUJHBYRPDRELQ-RTBURBONSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444658 1365564362 /nfs/dbraw/zinc/56/43/62/1365564362.db2.gz CXUNXOHGETZHHX-QRVBRYPASA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444658 1365564365 /nfs/dbraw/zinc/56/43/65/1365564365.db2.gz CXUNXOHGETZHHX-QRVBRYPASA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664696 1365712703 /nfs/dbraw/zinc/71/27/03/1365712703.db2.gz QLQMTLQBDQMQSJ-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664696 1365712704 /nfs/dbraw/zinc/71/27/04/1365712704.db2.gz QLQMTLQBDQMQSJ-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185749220 1387789074 /nfs/dbraw/zinc/78/90/74/1387789074.db2.gz AWVLLHZWAPFINA-ROUUACIJSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067281 1366304267 /nfs/dbraw/zinc/30/42/67/1366304267.db2.gz VFWZEJXTTQZJKR-RTBURBONSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190788260 1367350716 /nfs/dbraw/zinc/35/07/16/1367350716.db2.gz HYCKLYFJKASTRE-ROUUACIJSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190788260 1367350722 /nfs/dbraw/zinc/35/07/22/1367350722.db2.gz HYCKLYFJKASTRE-ROUUACIJSA-N 1 3 325.541 3.076 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195785631 1368489454 /nfs/dbraw/zinc/48/94/54/1368489454.db2.gz SCUKYQWZXQSAAM-LJQANCHMSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195785631 1368489457 /nfs/dbraw/zinc/48/94/57/1368489457.db2.gz SCUKYQWZXQSAAM-LJQANCHMSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196275725 1368581940 /nfs/dbraw/zinc/58/19/40/1368581940.db2.gz MTFYICXYGULGKW-PMACEKPBSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196275725 1368581943 /nfs/dbraw/zinc/58/19/43/1368581943.db2.gz MTFYICXYGULGKW-PMACEKPBSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001197332665 1368789901 /nfs/dbraw/zinc/78/99/01/1368789901.db2.gz YAVIKTAFDMXBRL-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001197332665 1368789903 /nfs/dbraw/zinc/78/99/03/1368789903.db2.gz YAVIKTAFDMXBRL-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112437126 1368852692 /nfs/dbraw/zinc/85/26/92/1368852692.db2.gz YQBSPHQRVDUZAP-WFXMLNOXSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605222 1387983993 /nfs/dbraw/zinc/98/39/93/1387983993.db2.gz MARWVOXXNQFCLG-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605222 1387983999 /nfs/dbraw/zinc/98/39/99/1387983999.db2.gz MARWVOXXNQFCLG-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203506742 1370148238 /nfs/dbraw/zinc/14/82/38/1370148238.db2.gz LEVUSOGRSMYZQN-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429786 1371573306 /nfs/dbraw/zinc/57/33/06/1371573306.db2.gz BDTOIRWSLXBSEP-VQTJNVASSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429786 1371573309 /nfs/dbraw/zinc/57/33/09/1371573309.db2.gz BDTOIRWSLXBSEP-VQTJNVASSA-N 1 3 349.563 3.388 20 30 EGEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CN(C)CCCCCC)C2)C1 ZINC001121919009 1372122750 /nfs/dbraw/zinc/12/27/50/1372122750.db2.gz MVIPNZCVHRYBJU-UHFFFAOYSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001121978396 1372142800 /nfs/dbraw/zinc/14/28/00/1372142800.db2.gz NPXNKUOUXONVLY-IHPCNDPISA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978396 1372142804 /nfs/dbraw/zinc/14/28/04/1372142804.db2.gz NPXNKUOUXONVLY-IHPCNDPISA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661210 1372164404 /nfs/dbraw/zinc/16/44/04/1372164404.db2.gz VDVQJEPHAPNIFW-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118711 1372179337 /nfs/dbraw/zinc/17/93/37/1372179337.db2.gz RJCDSJNGXWRNTB-UHFFFAOYSA-N 1 3 344.503 3.024 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256594 1372513305 /nfs/dbraw/zinc/51/33/05/1372513305.db2.gz JRPSLYUTKCLLDD-MOPGFXCFSA-N 1 3 337.552 3.412 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132153642 1375172623 /nfs/dbraw/zinc/17/26/23/1375172623.db2.gz RTTLUEIZHBSKIO-ROUUACIJSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132153642 1375172626 /nfs/dbraw/zinc/17/26/26/1375172626.db2.gz RTTLUEIZHBSKIO-ROUUACIJSA-N 1 3 337.552 3.432 20 30 EGEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749175 1379072416 /nfs/dbraw/zinc/07/24/16/1379072416.db2.gz UXXYCLUULOEOPA-SFHVURJKSA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749175 1379072423 /nfs/dbraw/zinc/07/24/23/1379072423.db2.gz UXXYCLUULOEOPA-SFHVURJKSA-N 1 3 337.552 3.077 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220084 1382347037 /nfs/dbraw/zinc/34/70/37/1382347037.db2.gz SWJFHJLPGNELTN-SFHVURJKSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220084 1382347040 /nfs/dbraw/zinc/34/70/40/1382347040.db2.gz SWJFHJLPGNELTN-SFHVURJKSA-N 1 3 347.547 3.211 20 30 EGEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC001163129145 1382972119 /nfs/dbraw/zinc/97/21/19/1382972119.db2.gz HQUZYTWWVUSRMR-UHFFFAOYSA-N 1 3 344.850 3.038 20 30 EGEDHO CC[NH+](CC)CCNC(=N)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC001163129145 1382972123 /nfs/dbraw/zinc/97/21/23/1382972123.db2.gz HQUZYTWWVUSRMR-UHFFFAOYSA-N 1 3 344.850 3.038 20 30 EGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1ncccc1CN1CCCC1 ZINC001163474628 1383059773 /nfs/dbraw/zinc/05/97/73/1383059773.db2.gz MPOGFKIKBXNUKD-UHFFFAOYSA-N 1 3 337.471 3.167 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167044280 1383526106 /nfs/dbraw/zinc/52/61/06/1383526106.db2.gz KCEIVUCYZGKADU-GOSISDBHSA-N 1 3 339.568 3.419 20 30 EGEDHO C[C@@H]1CC([NH2+]Cc2ccc(C#N)nc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168034903 1383801482 /nfs/dbraw/zinc/80/14/82/1383801482.db2.gz RMSHDYOOZDUYNQ-IAGOWNOFSA-N 1 3 334.467 3.484 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302424 1383867730 /nfs/dbraw/zinc/86/77/30/1383867730.db2.gz RXDVQCNNVLSZDE-UHFFFAOYSA-N 1 3 343.515 3.204 20 30 EGEDHO C=CCOC1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001173315930 1384956516 /nfs/dbraw/zinc/95/65/16/1384956516.db2.gz CFMIMQZHBCHQNT-UHFFFAOYSA-N 1 3 343.515 3.397 20 30 EGEDHO C=CCOC1CCC(N2CCC([NH3+])(c3ccc(OC)cc3)CC2)CC1 ZINC001173318215 1384956876 /nfs/dbraw/zinc/95/68/76/1384956876.db2.gz XAEDHHFDRQJMLF-UHFFFAOYSA-N 1 3 344.499 3.459 20 30 EGEDHO COc1cccc(C2([NH3+])CCN(C3CCC(CC#N)CC3)CC2)c1 ZINC001173331465 1384960149 /nfs/dbraw/zinc/96/01/49/1384960149.db2.gz BUTQYPGICCWZOK-UHFFFAOYSA-N 1 3 327.472 3.417 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175574339 1385336141 /nfs/dbraw/zinc/33/61/41/1385336141.db2.gz VIJXSABLXZFRKW-MOPGFXCFSA-N 1 3 337.552 3.480 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C(C)C ZINC001177488759 1385975868 /nfs/dbraw/zinc/97/58/68/1385975868.db2.gz LAFCAERTWOFVDB-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779261 1386582746 /nfs/dbraw/zinc/58/27/46/1386582746.db2.gz HJWJFQUNMHZQAI-OALUTQOASA-N 1 3 337.552 3.268 20 30 EGEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC(CC)CC)CC1 ZINC001180360620 1386774144 /nfs/dbraw/zinc/77/41/44/1386774144.db2.gz KNOFIEZJXJTRQK-UHFFFAOYSA-N 1 3 349.563 3.034 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001342138758 1390577004 /nfs/dbraw/zinc/57/70/04/1390577004.db2.gz BZQVIWPXMYWXCS-HKUYNNGSSA-N 1 3 335.536 3.173 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001342138758 1390577006 /nfs/dbraw/zinc/57/70/06/1390577006.db2.gz BZQVIWPXMYWXCS-HKUYNNGSSA-N 1 3 335.536 3.173 20 30 EGEDHO C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001752852471 1440233846 /nfs/dbraw/zinc/23/38/46/1440233846.db2.gz JVVUBXXVVCQUCX-VIQWUECVSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001754558572 1440632962 /nfs/dbraw/zinc/63/29/62/1440632962.db2.gz WONGOYWMGPCNQK-NRFANRHFSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001754558572 1440632963 /nfs/dbraw/zinc/63/29/63/1440632963.db2.gz WONGOYWMGPCNQK-NRFANRHFSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001755024357 1440728061 /nfs/dbraw/zinc/72/80/61/1440728061.db2.gz XIBWXLPCCPQWLR-SFHVURJKSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001755024357 1440728062 /nfs/dbraw/zinc/72/80/62/1440728062.db2.gz XIBWXLPCCPQWLR-SFHVURJKSA-N 1 3 335.536 3.188 20 30 EGEDHO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000118396848 296225312 /nfs/dbraw/zinc/22/53/12/296225312.db2.gz OTRVKWYMIJPGOA-KURKYZTESA-N 1 3 341.499 3.440 20 30 EGEDHO C=CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000114461170 454955658 /nfs/dbraw/zinc/95/56/58/454955658.db2.gz XYKQWNQDIMLCKR-UHFFFAOYSA-N 1 3 335.536 3.044 20 30 EGEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288747795 456104710 /nfs/dbraw/zinc/10/47/10/456104710.db2.gz QFMHSYIKZGTEER-UHFFFAOYSA-N 1 3 344.409 3.140 20 30 EGEDHO CC(C)(C)[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331196653 457145423 /nfs/dbraw/zinc/14/54/23/457145423.db2.gz NUPBKXUXQVSRBA-QGZVFWFLSA-N 1 3 327.472 3.138 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000436289613 458283563 /nfs/dbraw/zinc/28/35/63/458283563.db2.gz XSMPSKYKVYMBJO-CTWRKMMKSA-N 1 3 340.511 3.468 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C#N)c1 ZINC000481173817 459237665 /nfs/dbraw/zinc/23/76/65/459237665.db2.gz GXUSOWIUPQJHLX-XMSQKQJNSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C#N)c1 ZINC000481173817 459237668 /nfs/dbraw/zinc/23/76/68/459237668.db2.gz GXUSOWIUPQJHLX-XMSQKQJNSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701400 459999536 /nfs/dbraw/zinc/99/95/36/459999536.db2.gz USVYKEDLDYQLJJ-XLIONFOSSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701400 459999539 /nfs/dbraw/zinc/99/95/39/459999539.db2.gz USVYKEDLDYQLJJ-XLIONFOSSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602652131 460044879 /nfs/dbraw/zinc/04/48/79/460044879.db2.gz WIFXPKIVIMTXGW-UYAOXDASSA-N 1 3 341.499 3.197 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652131 460044886 /nfs/dbraw/zinc/04/48/86/460044886.db2.gz WIFXPKIVIMTXGW-UYAOXDASSA-N 1 3 341.499 3.197 20 30 EGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000611393085 460353317 /nfs/dbraw/zinc/35/33/17/460353317.db2.gz IDCSZQSRBRGIJI-UWJYYQICSA-N 1 3 339.483 3.026 20 30 EGEDHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000902808272 1317619687 /nfs/dbraw/zinc/61/96/87/1317619687.db2.gz HNGGKPFSUOUYFH-FXAWDEMLSA-N 1 3 327.472 3.100 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961401679 1319558216 /nfs/dbraw/zinc/55/82/16/1319558216.db2.gz NITRAVYPXFDCOL-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961401679 1319558224 /nfs/dbraw/zinc/55/82/24/1319558224.db2.gz NITRAVYPXFDCOL-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257648 1324064180 /nfs/dbraw/zinc/06/41/80/1324064180.db2.gz FMNXYNYZIBCPEB-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257648 1324064186 /nfs/dbraw/zinc/06/41/86/1324064186.db2.gz FMNXYNYZIBCPEB-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO CC(C)N1CCCC[C@@H]1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853643066 1325140358 /nfs/dbraw/zinc/14/03/58/1325140358.db2.gz PEAPEQDOEMUOEY-HXUWFJFHSA-N 1 3 345.487 3.137 20 30 EGEDHO CCCCCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000862356551 1329477427 /nfs/dbraw/zinc/47/74/27/1329477427.db2.gz YCEWJTOEZNZSFE-UHFFFAOYSA-N 1 3 337.552 3.269 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001008273774 1336811764 /nfs/dbraw/zinc/81/17/64/1336811764.db2.gz AHFLJEMJXHULDM-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001008273774 1336811765 /nfs/dbraw/zinc/81/17/65/1336811765.db2.gz AHFLJEMJXHULDM-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041722799 1345831780 /nfs/dbraw/zinc/83/17/80/1345831780.db2.gz AGANSZZNCMTIFB-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041722799 1345831784 /nfs/dbraw/zinc/83/17/84/1345831784.db2.gz AGANSZZNCMTIFB-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376860 1348535252 /nfs/dbraw/zinc/53/52/52/1348535252.db2.gz JYWGNKXDBPISJJ-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376860 1348535253 /nfs/dbraw/zinc/53/52/53/1348535253.db2.gz JYWGNKXDBPISJJ-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088538 1348914511 /nfs/dbraw/zinc/91/45/11/1348914511.db2.gz XCZHXPWDEZPHRE-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088538 1348914514 /nfs/dbraw/zinc/91/45/14/1348914514.db2.gz XCZHXPWDEZPHRE-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662288 1360572726 /nfs/dbraw/zinc/57/27/26/1360572726.db2.gz AXVLVYNOPDLHFW-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662288 1360572728 /nfs/dbraw/zinc/57/27/28/1360572728.db2.gz AXVLVYNOPDLHFW-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001089663592 1360573145 /nfs/dbraw/zinc/57/31/45/1360573145.db2.gz QDKTUKCPOAFBPR-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001089663592 1360573147 /nfs/dbraw/zinc/57/31/47/1360573147.db2.gz QDKTUKCPOAFBPR-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529470 1361846783 /nfs/dbraw/zinc/84/67/83/1361846783.db2.gz WEFWNHPXQXJPHH-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529470 1361846785 /nfs/dbraw/zinc/84/67/85/1361846785.db2.gz WEFWNHPXQXJPHH-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609045 1362596176 /nfs/dbraw/zinc/59/61/76/1362596176.db2.gz HJQSLRYDHAAWQM-HOJAQTOUSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609045 1362596178 /nfs/dbraw/zinc/59/61/78/1362596178.db2.gz HJQSLRYDHAAWQM-HOJAQTOUSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097219071 1362890601 /nfs/dbraw/zinc/89/06/01/1362890601.db2.gz RSRYNVWUNYVJQK-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097219071 1362890605 /nfs/dbraw/zinc/89/06/05/1362890605.db2.gz RSRYNVWUNYVJQK-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099153976 1363660153 /nfs/dbraw/zinc/66/01/53/1363660153.db2.gz RJRHMYCCMNCDJM-RTBURBONSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099153976 1363660155 /nfs/dbraw/zinc/66/01/55/1363660155.db2.gz RJRHMYCCMNCDJM-RTBURBONSA-N 1 3 347.547 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164703 1363665070 /nfs/dbraw/zinc/66/50/70/1363665070.db2.gz GQVGWZQYPPRUSM-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164703 1363665074 /nfs/dbraw/zinc/66/50/74/1363665074.db2.gz GQVGWZQYPPRUSM-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099166428 1363666309 /nfs/dbraw/zinc/66/63/09/1363666309.db2.gz WBNOUNSYMPYLIK-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099166428 1363666312 /nfs/dbraw/zinc/66/63/12/1363666312.db2.gz WBNOUNSYMPYLIK-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101094 1364856515 /nfs/dbraw/zinc/85/65/15/1364856515.db2.gz MRJPPKHAXMBTNK-QZTJIDSGSA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101094 1364856520 /nfs/dbraw/zinc/85/65/20/1364856520.db2.gz MRJPPKHAXMBTNK-QZTJIDSGSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683583 1366130586 /nfs/dbraw/zinc/13/05/86/1366130586.db2.gz MPXZSDVEUMHEIH-GUDVDZBRSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563194 1366532939 /nfs/dbraw/zinc/53/29/39/1366532939.db2.gz GKUMPVYTVGDVIB-OALUTQOASA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108781592 1367593312 /nfs/dbraw/zinc/59/33/12/1367593312.db2.gz YQLDNFBEQOXXSW-FHWLQOOXSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192398757 1367773271 /nfs/dbraw/zinc/77/32/71/1367773271.db2.gz QVZWSOYKFVGEJT-SFHVURJKSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192398757 1367773277 /nfs/dbraw/zinc/77/32/77/1367773277.db2.gz QVZWSOYKFVGEJT-SFHVURJKSA-N 1 3 337.552 3.243 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112380702 1368808239 /nfs/dbraw/zinc/80/82/39/1368808239.db2.gz VJTXVGNEESKTIY-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524684 1370155338 /nfs/dbraw/zinc/15/53/38/1370155338.db2.gz YVBGYEAFRDNZSV-ROUUACIJSA-N 1 3 337.552 3.316 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660291 1370206410 /nfs/dbraw/zinc/20/64/10/1370206410.db2.gz PADXCRDKKALVQN-ZWKOTPCHSA-N 1 3 346.519 3.248 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCCC1 ZINC001115538533 1370535324 /nfs/dbraw/zinc/53/53/24/1370535324.db2.gz MITQZYXSLWQCJQ-UHFFFAOYSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952370 1371242464 /nfs/dbraw/zinc/24/24/64/1371242464.db2.gz LWZHGSHQJODEFV-PKOBYXMFSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207750308 1371493271 /nfs/dbraw/zinc/49/32/71/1371493271.db2.gz PJAKAWNJVZHPDI-IAGOWNOFSA-N 1 3 325.541 3.124 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207750308 1371493273 /nfs/dbraw/zinc/49/32/73/1371493273.db2.gz PJAKAWNJVZHPDI-IAGOWNOFSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429785 1371572657 /nfs/dbraw/zinc/57/26/57/1371572657.db2.gz BDTOIRWSLXBSEP-UXHICEINSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429785 1371572659 /nfs/dbraw/zinc/57/26/59/1371572659.db2.gz BDTOIRWSLXBSEP-UXHICEINSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208049070 1371580570 /nfs/dbraw/zinc/58/05/70/1371580570.db2.gz MDVIQAXBWMZMME-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C#CCCCN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209267463 1372054504 /nfs/dbraw/zinc/05/45/04/1372054504.db2.gz QZMZWKZSOOHUGK-GOSISDBHSA-N 1 3 333.426 3.028 20 30 EGEDHO C#CCCCN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209267463 1372054507 /nfs/dbraw/zinc/05/45/07/1372054507.db2.gz QZMZWKZSOOHUGK-GOSISDBHSA-N 1 3 333.426 3.028 20 30 EGEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCCCCC)C2)C1 ZINC001121919539 1372122763 /nfs/dbraw/zinc/12/27/63/1372122763.db2.gz UDBREZIQXJSCQR-UHFFFAOYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132823578 1375583969 /nfs/dbraw/zinc/58/39/69/1375583969.db2.gz IQIQSCVWYKEUKD-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1CCCC ZINC001229615487 1375865488 /nfs/dbraw/zinc/86/54/88/1375865488.db2.gz LXANJHGDWQTELS-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133276007 1375890097 /nfs/dbraw/zinc/89/00/97/1375890097.db2.gz YVAZZZXWAFASSJ-MOPGFXCFSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337538 1375930579 /nfs/dbraw/zinc/93/05/79/1375930579.db2.gz NTJIZJGRGJORRS-FXAWDEMLSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770031 1384382762 /nfs/dbraw/zinc/38/27/62/1384382762.db2.gz SOZXAPUUPSUAMZ-GOSISDBHSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCOC1CCC([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)CC1 ZINC001173328008 1384960182 /nfs/dbraw/zinc/96/01/82/1384960182.db2.gz XJAQKGAAXBXPMN-SYYJFZTOSA-N 1 3 336.520 3.075 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571765 1385335835 /nfs/dbraw/zinc/33/58/35/1385335835.db2.gz FRFSNIJMVCAQIQ-OALUTQOASA-N 1 3 337.552 3.480 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCCCC)CC1 ZINC001176739811 1385678116 /nfs/dbraw/zinc/67/81/16/1385678116.db2.gz ZVTURYLVEZOERQ-IBGZPJMESA-N 1 3 349.563 3.177 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177339587 1385919894 /nfs/dbraw/zinc/91/98/94/1385919894.db2.gz LHKVLJPKWANONI-HXUWFJFHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177484398 1385974058 /nfs/dbraw/zinc/97/40/58/1385974058.db2.gz CMMOKNVRNDFGJP-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001752999690 1440263855 /nfs/dbraw/zinc/26/38/55/1440263855.db2.gz GDKJDBZTAMNEJU-FQEVSTJZSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001752999690 1440263856 /nfs/dbraw/zinc/26/38/56/1440263856.db2.gz GDKJDBZTAMNEJU-FQEVSTJZSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001753282094 1440347786 /nfs/dbraw/zinc/34/77/86/1440347786.db2.gz ACFLBDZAQXIAOI-HKUYNNGSSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001753557390 1440436231 /nfs/dbraw/zinc/43/62/31/1440436231.db2.gz KLPNIPPGKKDJEP-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001754948954 1440714448 /nfs/dbraw/zinc/71/44/48/1440714448.db2.gz SNAPYVASGIWKEB-XLIONFOSSA-N 1 3 343.515 3.402 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001755281159 1440800654 /nfs/dbraw/zinc/80/06/54/1440800654.db2.gz ZVLKUSVZLSURFZ-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001755764686 1440915830 /nfs/dbraw/zinc/91/58/30/1440915830.db2.gz XZXRZWNCDSSHAO-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO N#Cc1cccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000069749927 203045687 /nfs/dbraw/zinc/04/56/87/203045687.db2.gz QCENWUXIBVGZPX-UHFFFAOYSA-N 1 3 348.494 3.250 20 30 EGEDHO CCCC[N@H+](C)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000052442082 307331900 /nfs/dbraw/zinc/33/19/00/307331900.db2.gz FGPOGRIUULONGH-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO CCCC[N@@H+](C)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000052442082 307331901 /nfs/dbraw/zinc/33/19/01/307331901.db2.gz FGPOGRIUULONGH-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO CC(C)CN1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000075760884 453924902 /nfs/dbraw/zinc/92/49/02/453924902.db2.gz IRYWPMFTFSADQW-UHFFFAOYSA-N 1 3 328.504 3.246 20 30 EGEDHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(C#N)c1 ZINC000095987885 454253028 /nfs/dbraw/zinc/25/30/28/454253028.db2.gz ZZKGGGXHANOBGJ-KRWDZBQOSA-N 1 3 349.478 3.366 20 30 EGEDHO C=CCc1cc(CN2CCC(CC[NH+](C)C)CC2)cc(OC)c1O ZINC000092381070 454558677 /nfs/dbraw/zinc/55/86/77/454558677.db2.gz ZNNJBSCMLHGWDA-UHFFFAOYSA-N 1 3 332.488 3.293 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)C[C@@H](C)O1 ZINC000126337849 454886274 /nfs/dbraw/zinc/88/62/74/454886274.db2.gz VZNFUOJMUICYIX-IGBVOLGGSA-N 1 3 341.499 3.089 20 30 EGEDHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271972906 455809065 /nfs/dbraw/zinc/80/90/65/455809065.db2.gz XFMWRFNDKIJHJH-HNNXBMFYSA-N 1 3 341.430 3.489 20 30 EGEDHO N#CCSCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285549800 455867626 /nfs/dbraw/zinc/86/76/26/455867626.db2.gz MDJLNNYOEADPCN-IBGZPJMESA-N 1 3 329.513 3.231 20 30 EGEDHO N#CCSCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285549800 455867628 /nfs/dbraw/zinc/86/76/28/455867628.db2.gz MDJLNNYOEADPCN-IBGZPJMESA-N 1 3 329.513 3.231 20 30 EGEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000236862488 456192999 /nfs/dbraw/zinc/19/29/99/456192999.db2.gz JMGMNSGHZDDMDZ-SFHVURJKSA-N 1 3 345.487 3.199 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000420979345 458406369 /nfs/dbraw/zinc/40/63/69/458406369.db2.gz KNOJALWZMZMMDT-UHFFFAOYSA-N 1 3 346.563 3.343 20 30 EGEDHO CCN1CCC([N@H+]2CCCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000420979345 458406373 /nfs/dbraw/zinc/40/63/73/458406373.db2.gz KNOJALWZMZMMDT-UHFFFAOYSA-N 1 3 346.563 3.343 20 30 EGEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000424298149 458608226 /nfs/dbraw/zinc/60/82/26/458608226.db2.gz SBLGHMRKVZCZHX-AFDCHOCNSA-N 1 3 326.484 3.078 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000591572119 459403860 /nfs/dbraw/zinc/40/38/60/459403860.db2.gz SXIVGYLUIOBSPZ-JYPHPWERSA-N 1 3 327.472 3.355 20 30 EGEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000593324585 459843574 /nfs/dbraw/zinc/84/35/74/459843574.db2.gz XRVMDHYNBIBOEM-YADHBBJMSA-N 1 3 346.478 3.257 20 30 EGEDHO N#Cc1cccc(CN2CCC(N[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000593324585 459843575 /nfs/dbraw/zinc/84/35/75/459843575.db2.gz XRVMDHYNBIBOEM-YADHBBJMSA-N 1 3 346.478 3.257 20 30 EGEDHO C=CCOc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543938 461759528 /nfs/dbraw/zinc/75/95/28/461759528.db2.gz UQWBHVLKYKXYDC-OALUTQOASA-N 1 3 344.499 3.472 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632951 1319753191 /nfs/dbraw/zinc/75/31/91/1319753191.db2.gz SDAAECJBNNAXFJ-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632951 1319753193 /nfs/dbraw/zinc/75/31/93/1319753193.db2.gz SDAAECJBNNAXFJ-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO CC[NH+]1CCC(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921687283 1322378719 /nfs/dbraw/zinc/37/87/19/1322378719.db2.gz ZWRPFLXUQNWLHW-UHFFFAOYSA-N 1 3 336.277 3.142 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289253 1324112508 /nfs/dbraw/zinc/11/25/08/1324112508.db2.gz PAGCHMZUSPKWPP-SJORKVTESA-N 1 3 344.503 3.109 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289253 1324112511 /nfs/dbraw/zinc/11/25/11/1324112511.db2.gz PAGCHMZUSPKWPP-SJORKVTESA-N 1 3 344.503 3.109 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063377 1345933348 /nfs/dbraw/zinc/93/33/48/1345933348.db2.gz VTQDVCDNKUVRMZ-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063377 1345933349 /nfs/dbraw/zinc/93/33/49/1345933349.db2.gz VTQDVCDNKUVRMZ-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858578 1348705470 /nfs/dbraw/zinc/70/54/70/1348705470.db2.gz FKLIUIQBFOZNSG-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858578 1348705472 /nfs/dbraw/zinc/70/54/72/1348705472.db2.gz FKLIUIQBFOZNSG-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099488 1355129117 /nfs/dbraw/zinc/12/91/17/1355129117.db2.gz RKMPXUHXRFYODN-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099488 1355129118 /nfs/dbraw/zinc/12/91/18/1355129118.db2.gz RKMPXUHXRFYODN-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183510320 1387315159 /nfs/dbraw/zinc/31/51/59/1387315159.db2.gz VYESHBDXCXOHMW-DYESRHJHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001085225366 1358437819 /nfs/dbraw/zinc/43/78/19/1358437819.db2.gz SPOSYTYRRGRFKZ-GVDBMIGSSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225366 1358437820 /nfs/dbraw/zinc/43/78/20/1358437820.db2.gz SPOSYTYRRGRFKZ-GVDBMIGSSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001088430585 1359898624 /nfs/dbraw/zinc/89/86/24/1359898624.db2.gz SVVWMQTZGFEAIB-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382565 1360383836 /nfs/dbraw/zinc/38/38/36/1360383836.db2.gz UDKIDRLUDYYDGA-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382565 1360383839 /nfs/dbraw/zinc/38/38/39/1360383839.db2.gz UDKIDRLUDYYDGA-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639535 1360553256 /nfs/dbraw/zinc/55/32/56/1360553256.db2.gz XGHZUIZSVSUUMA-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639535 1360553259 /nfs/dbraw/zinc/55/32/59/1360553259.db2.gz XGHZUIZSVSUUMA-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165659 1363666087 /nfs/dbraw/zinc/66/60/87/1363666087.db2.gz OWNHVCWFGIDLFI-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001101586259 1364636831 /nfs/dbraw/zinc/63/68/31/1364636831.db2.gz RLMRCTPZACQDJN-UHFFFAOYSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677093 1365722835 /nfs/dbraw/zinc/72/28/35/1365722835.db2.gz KNBSEYGLPDARHW-SJLPKXTDSA-N 1 3 346.519 3.081 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677093 1365722839 /nfs/dbraw/zinc/72/28/39/1365722839.db2.gz KNBSEYGLPDARHW-SJLPKXTDSA-N 1 3 346.519 3.081 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192196238 1367712981 /nfs/dbraw/zinc/71/29/81/1367712981.db2.gz HYCKLYFJKASTRE-ZWKOTPCHSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192196238 1367712985 /nfs/dbraw/zinc/71/29/85/1367712985.db2.gz HYCKLYFJKASTRE-ZWKOTPCHSA-N 1 3 325.541 3.076 20 30 EGEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507584 1370148934 /nfs/dbraw/zinc/14/89/34/1370148934.db2.gz TWWVSZIBPXWSBY-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524685 1370155415 /nfs/dbraw/zinc/15/54/15/1370155415.db2.gz YVBGYEAFRDNZSV-ZWKOTPCHSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649501 1370200270 /nfs/dbraw/zinc/20/02/70/1370200270.db2.gz BKYDFXZSNDEDGX-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660290 1370206735 /nfs/dbraw/zinc/20/67/35/1370206735.db2.gz PADXCRDKKALVQN-ROUUACIJSA-N 1 3 346.519 3.248 20 30 EGEDHO C[C@H]1CN(Cc2ccc(Br)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206011474 1370938391 /nfs/dbraw/zinc/93/83/91/1370938391.db2.gz CPYZQCCTXWAWPV-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206273904 1371009912 /nfs/dbraw/zinc/00/99/12/1371009912.db2.gz CZPFNYMBINOTHD-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120188686 1371502078 /nfs/dbraw/zinc/50/20/78/1371502078.db2.gz BNXJWSGIYKDSFN-ROUUACIJSA-N 1 3 335.536 3.234 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209475880 1372116333 /nfs/dbraw/zinc/11/63/33/1372116333.db2.gz RJOPLTBLDFYCSK-QZTJIDSGSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919351 1372123217 /nfs/dbraw/zinc/12/32/17/1372123217.db2.gz CKMRTPLIHYQGRZ-HOJAQTOUSA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919351 1372123223 /nfs/dbraw/zinc/12/32/23/1372123223.db2.gz CKMRTPLIHYQGRZ-HOJAQTOUSA-N 1 3 343.515 3.182 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122243033 1372210156 /nfs/dbraw/zinc/21/01/56/1372210156.db2.gz XUZFSUSWUAKOCP-UHFFFAOYSA-N 1 3 337.552 3.314 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844381 1373349981 /nfs/dbraw/zinc/34/99/81/1373349981.db2.gz AGZRWMWKLKVQJK-GUDVDZBRSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224740114 1375072360 /nfs/dbraw/zinc/07/23/60/1375072360.db2.gz XOPIHDRQQYMXNM-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001229984773 1375925009 /nfs/dbraw/zinc/92/50/09/1375925009.db2.gz BCYAYLSZEPTBBR-IBGZPJMESA-N 1 3 335.536 3.188 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910194 1380153559 /nfs/dbraw/zinc/15/35/59/1380153559.db2.gz JDNHTMWQWMSSBD-MSOLQXFVSA-N 1 3 327.557 3.370 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910194 1380153560 /nfs/dbraw/zinc/15/35/60/1380153560.db2.gz JDNHTMWQWMSSBD-MSOLQXFVSA-N 1 3 327.557 3.370 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481010 1381261610 /nfs/dbraw/zinc/26/16/10/1381261610.db2.gz VONUJXNVRZWTLE-RTBURBONSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481010 1381261614 /nfs/dbraw/zinc/26/16/14/1381261614.db2.gz VONUJXNVRZWTLE-RTBURBONSA-N 1 3 349.563 3.386 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627930 1381852530 /nfs/dbraw/zinc/85/25/30/1381852530.db2.gz CNVDNVUPCAJVLN-IBGZPJMESA-N 1 3 335.536 3.189 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627930 1381852535 /nfs/dbraw/zinc/85/25/35/1381852535.db2.gz CNVDNVUPCAJVLN-IBGZPJMESA-N 1 3 335.536 3.189 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385633 1383618899 /nfs/dbraw/zinc/61/88/99/1383618899.db2.gz LQDYHXCUKUQNQO-MOPGFXCFSA-N 1 3 349.563 3.480 20 30 EGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128273 1384735524 /nfs/dbraw/zinc/73/55/24/1384735524.db2.gz QPOQCEVWXYXOTE-YRPNKDGESA-N 1 3 339.483 3.417 20 30 EGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128273 1384735529 /nfs/dbraw/zinc/73/55/29/1384735529.db2.gz QPOQCEVWXYXOTE-YRPNKDGESA-N 1 3 339.483 3.417 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415907 1385948997 /nfs/dbraw/zinc/94/89/97/1385948997.db2.gz ODMXRINSCJGJAT-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179745605 1386570049 /nfs/dbraw/zinc/57/00/49/1386570049.db2.gz DLDGYKYOSABCHF-LJQANCHMSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180123927 1386704878 /nfs/dbraw/zinc/70/48/78/1386704878.db2.gz OHZKRBNBPZKSNK-UHFFFAOYSA-N 1 3 325.541 3.341 20 30 EGEDHO C=CCCC[NH+]1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001752302114 1440167958 /nfs/dbraw/zinc/16/79/58/1440167958.db2.gz YKOPDPLZOFSLBW-UHFFFAOYSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(Cl)CNCC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001753509494 1440425477 /nfs/dbraw/zinc/42/54/77/1440425477.db2.gz WSQCIOLKPOIIJI-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001754695752 1440667002 /nfs/dbraw/zinc/66/70/02/1440667002.db2.gz SNZIYFPZXZDAQN-NQIIRXRSSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001754695753 1440667006 /nfs/dbraw/zinc/66/70/06/1440667006.db2.gz SNZIYFPZXZDAQN-RXVVDRJESA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755733595 1440910662 /nfs/dbraw/zinc/91/06/62/1440910662.db2.gz LIYSOLCBBVIVAC-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462830 163007744 /nfs/dbraw/zinc/00/77/44/163007744.db2.gz YOSKIMXRQHOLSK-VGSWGCGISA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462830 163007746 /nfs/dbraw/zinc/00/77/46/163007746.db2.gz YOSKIMXRQHOLSK-VGSWGCGISA-N 1 3 349.478 3.366 20 30 EGEDHO CCc1cccc(NC(=[NH2+])NCc2cccc(OCCN(C)C)c2)c1 ZINC000264073745 455189342 /nfs/dbraw/zinc/18/93/42/455189342.db2.gz GQAOBUVMNNTWQU-UHFFFAOYSA-N 1 3 340.471 3.116 20 30 EGEDHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000160191132 455436727 /nfs/dbraw/zinc/43/67/27/455436727.db2.gz LCJJKDGRYXZUMI-GOSISDBHSA-N 1 3 344.478 3.129 20 30 EGEDHO C[C@H](NC(=[NH2+])NCC1=CCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000271861729 455791022 /nfs/dbraw/zinc/79/10/22/455791022.db2.gz ZAIQBXACFXKDJC-NSHDSACASA-N 1 3 341.286 3.221 20 30 EGEDHO CC[N@H+](C)Cc1cccc(CNC(=N)Nc2cc(F)ccc2F)c1 ZINC000288722137 456103862 /nfs/dbraw/zinc/10/38/62/456103862.db2.gz MEKHLSNEWHOSAF-UHFFFAOYSA-N 1 3 332.398 3.343 20 30 EGEDHO CC[N@@H+](C)Cc1cccc(CNC(=N)Nc2cc(F)ccc2F)c1 ZINC000288722137 456103867 /nfs/dbraw/zinc/10/38/67/456103867.db2.gz MEKHLSNEWHOSAF-UHFFFAOYSA-N 1 3 332.398 3.343 20 30 EGEDHO C=CCOc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290637551 456392344 /nfs/dbraw/zinc/39/23/44/456392344.db2.gz YIYAWMJQAYVRRX-IBGZPJMESA-N 1 3 344.499 3.424 20 30 EGEDHO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN(C)C ZINC000491542388 459636235 /nfs/dbraw/zinc/63/62/35/459636235.db2.gz DBYIDXBJZWPDPQ-KRWDZBQOSA-N 1 3 337.467 3.425 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440430 460221193 /nfs/dbraw/zinc/22/11/93/460221193.db2.gz CGFBJJYGCQCCAV-APWZRJJASA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440430 460221196 /nfs/dbraw/zinc/22/11/96/460221196.db2.gz CGFBJJYGCQCCAV-APWZRJJASA-N 1 3 342.487 3.411 20 30 EGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000657868259 462302648 /nfs/dbraw/zinc/30/26/48/462302648.db2.gz MUUQUPDSLSMHRJ-ICSRJNTNSA-N 1 3 343.515 3.203 20 30 EGEDHO CC[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCCC1 ZINC000160656484 1294273905 /nfs/dbraw/zinc/27/39/05/1294273905.db2.gz UHFYPIDAAIIHRK-GFCCVEGCSA-N 1 3 344.381 3.186 20 30 EGEDHO C=CCc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000164532764 1294350321 /nfs/dbraw/zinc/35/03/21/1294350321.db2.gz GYXJSECJEFNLHI-AEFFLSMTSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000164532764 1294350327 /nfs/dbraw/zinc/35/03/27/1294350327.db2.gz GYXJSECJEFNLHI-AEFFLSMTSA-N 1 3 330.472 3.045 20 30 EGEDHO CCN(CC)c1ccc(/C=[NH+]/C2CC[NH+](CCCOC)CC2)c([O-])c1 ZINC000170696316 1294377311 /nfs/dbraw/zinc/37/73/11/1294377311.db2.gz FUJZVTVGWLCALG-LTGZKZEYSA-N 1 3 347.503 3.158 20 30 EGEDHO C#CCOc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192917572 1295815299 /nfs/dbraw/zinc/81/52/99/1295815299.db2.gz KCNABPLRKHRGMA-HXUWFJFHSA-N 1 3 334.463 3.310 20 30 EGEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000303901147 1296875609 /nfs/dbraw/zinc/87/56/09/1296875609.db2.gz SMUFITLWWCMNGB-UHFFFAOYSA-N 1 3 348.494 3.350 20 30 EGEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000876719640 1298936874 /nfs/dbraw/zinc/93/68/74/1298936874.db2.gz QNIJEKDOGJDCMR-MAUKXSAKSA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719640 1298936882 /nfs/dbraw/zinc/93/68/82/1298936882.db2.gz QNIJEKDOGJDCMR-MAUKXSAKSA-N 1 3 349.906 3.147 20 30 EGEDHO CC(C)(C)CC[C@H](N)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000904376330 1317838858 /nfs/dbraw/zinc/83/88/58/1317838858.db2.gz OXWNFSPCFGVJIE-IBGZPJMESA-N 1 3 342.531 3.266 20 30 EGEDHO CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817916972 1319460549 /nfs/dbraw/zinc/46/05/49/1319460549.db2.gz BXGNBVRRBWCNRS-KSSFIOAISA-N 1 3 338.455 3.381 20 30 EGEDHO C[C@@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162842 1327901427 /nfs/dbraw/zinc/90/14/27/1327901427.db2.gz BACRWKSOQQQEOH-XLIONFOSSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162842 1327901435 /nfs/dbraw/zinc/90/14/35/1327901435.db2.gz BACRWKSOQQQEOH-XLIONFOSSA-N 1 3 349.482 3.008 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928538 1336093316 /nfs/dbraw/zinc/09/33/16/1336093316.db2.gz NJOGICKECYFMOH-VQTJNVASSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928538 1336093317 /nfs/dbraw/zinc/09/33/17/1336093317.db2.gz NJOGICKECYFMOH-VQTJNVASSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875169 1345592860 /nfs/dbraw/zinc/59/28/60/1345592860.db2.gz UQRFKHGFAKHBHL-LJQANCHMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045941018 1346776999 /nfs/dbraw/zinc/77/69/99/1346776999.db2.gz HHXANNNVIUNGHO-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045941018 1346777003 /nfs/dbraw/zinc/77/70/03/1346777003.db2.gz HHXANNNVIUNGHO-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254416 1347278716 /nfs/dbraw/zinc/27/87/16/1347278716.db2.gz PHOPUPRPEOKLMR-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001048583414 1347605645 /nfs/dbraw/zinc/60/56/45/1347605645.db2.gz KCMYYGJAXICEFS-IYWMVGAKSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001048583414 1347605647 /nfs/dbraw/zinc/60/56/47/1347605647.db2.gz KCMYYGJAXICEFS-IYWMVGAKSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001183509193 1387315322 /nfs/dbraw/zinc/31/53/22/1387315322.db2.gz CWYRTGWGTZJSBF-DYESRHJHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049526 1358378121 /nfs/dbraw/zinc/37/81/21/1358378121.db2.gz HPBCSSZSNBDKIK-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049526 1358378126 /nfs/dbraw/zinc/37/81/26/1358378126.db2.gz HPBCSSZSNBDKIK-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001088395026 1359870848 /nfs/dbraw/zinc/87/08/48/1359870848.db2.gz VCLCHVGVDWAYCQ-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400586 1360400001 /nfs/dbraw/zinc/40/00/01/1360400001.db2.gz JTGSKQNCXWWROR-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400586 1360400004 /nfs/dbraw/zinc/40/00/04/1360400004.db2.gz JTGSKQNCXWWROR-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510643 1360482313 /nfs/dbraw/zinc/48/23/13/1360482313.db2.gz ZHEZOHXTFDZSTE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510643 1360482315 /nfs/dbraw/zinc/48/23/15/1360482315.db2.gz ZHEZOHXTFDZSTE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001089706357 1360608836 /nfs/dbraw/zinc/60/88/36/1360608836.db2.gz RIJPQESOEZYPEU-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001089706357 1360608838 /nfs/dbraw/zinc/60/88/38/1360608838.db2.gz RIJPQESOEZYPEU-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171575 1387633142 /nfs/dbraw/zinc/63/31/42/1387633142.db2.gz XFTHFDDZFXMSKO-ZWKOTPCHSA-N 1 3 337.552 3.005 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225407 1363701288 /nfs/dbraw/zinc/70/12/88/1363701288.db2.gz UHLYWYOLFXIVNQ-ZWKOTPCHSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225407 1363701290 /nfs/dbraw/zinc/70/12/90/1363701290.db2.gz UHLYWYOLFXIVNQ-ZWKOTPCHSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185317418 1387681444 /nfs/dbraw/zinc/68/14/44/1387681444.db2.gz PHLGEXCGHYECAL-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107401895 1366953141 /nfs/dbraw/zinc/95/31/41/1366953141.db2.gz FHGFZLUXIAYCBY-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107401895 1366953143 /nfs/dbraw/zinc/95/31/43/1366953143.db2.gz FHGFZLUXIAYCBY-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028990 1367927995 /nfs/dbraw/zinc/92/79/95/1367927995.db2.gz WXICTPWTPDUEDS-IBGZPJMESA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028990 1367928001 /nfs/dbraw/zinc/92/80/01/1367928001.db2.gz WXICTPWTPDUEDS-IBGZPJMESA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995002 1368137697 /nfs/dbraw/zinc/13/76/97/1368137697.db2.gz MSOSSBBRGCIJQP-AKHDSKFASA-N 1 3 337.552 3.265 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995002 1368137702 /nfs/dbraw/zinc/13/77/02/1368137702.db2.gz MSOSSBBRGCIJQP-AKHDSKFASA-N 1 3 337.552 3.265 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266244 1368219472 /nfs/dbraw/zinc/21/94/72/1368219472.db2.gz MULWSJOLNNPMHY-RTBURBONSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266244 1368219475 /nfs/dbraw/zinc/21/94/75/1368219475.db2.gz MULWSJOLNNPMHY-RTBURBONSA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141517 1368753807 /nfs/dbraw/zinc/75/38/07/1368753807.db2.gz IDEDFJGBLCOCPI-IBGZPJMESA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531603 1368916655 /nfs/dbraw/zinc/91/66/55/1368916655.db2.gz HLSKRTIWWNKRPJ-RXVVDRJESA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112539991 1368920884 /nfs/dbraw/zinc/92/08/84/1368920884.db2.gz AHLSKZRIRSXSBD-DYXWJJEUSA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220987 1368982473 /nfs/dbraw/zinc/98/24/73/1368982473.db2.gz CBYRCOPQAUSBJJ-KDURUIRLSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220987 1368982478 /nfs/dbraw/zinc/98/24/78/1368982478.db2.gz CBYRCOPQAUSBJJ-KDURUIRLSA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCCC1 ZINC001115759403 1370742774 /nfs/dbraw/zinc/74/27/74/1370742774.db2.gz CGMBMNDPQIMPIA-GOSISDBHSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952368 1371242896 /nfs/dbraw/zinc/24/28/96/1371242896.db2.gz LWZHGSHQJODEFV-IEBWSBKVSA-N 1 3 335.536 3.044 20 30 EGEDHO CC[NH+]1CCC(CC2CCN(Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC001207110409 1371297095 /nfs/dbraw/zinc/29/70/95/1371297095.db2.gz KVQXFMBDFHIKJF-UHFFFAOYSA-N 1 3 328.504 3.231 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391359 1371558169 /nfs/dbraw/zinc/55/81/69/1371558169.db2.gz ASNQQSHSTLMBCP-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391359 1371558173 /nfs/dbraw/zinc/55/81/73/1371558173.db2.gz ASNQQSHSTLMBCP-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211248129 1372511514 /nfs/dbraw/zinc/51/15/14/1372511514.db2.gz DOQAIZRJAYUKJW-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211293175 1372522672 /nfs/dbraw/zinc/52/26/72/1372522672.db2.gz XFUMKVKQZLRSCS-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211293175 1372522674 /nfs/dbraw/zinc/52/26/74/1372522674.db2.gz XFUMKVKQZLRSCS-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376921 1372544476 /nfs/dbraw/zinc/54/44/76/1372544476.db2.gz PGCRMKVXOSCZBA-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376921 1372544479 /nfs/dbraw/zinc/54/44/79/1372544479.db2.gz PGCRMKVXOSCZBA-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544155 1373779328 /nfs/dbraw/zinc/77/93/28/1373779328.db2.gz PARVGDUCDGADAZ-HSALFYBXSA-N 1 3 349.563 3.362 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544155 1373779334 /nfs/dbraw/zinc/77/93/34/1373779334.db2.gz PARVGDUCDGADAZ-HSALFYBXSA-N 1 3 349.563 3.362 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001229463070 1375840406 /nfs/dbraw/zinc/84/04/06/1375840406.db2.gz XSLXWWGFHHZPBN-HKUYNNGSSA-N 1 3 335.536 3.185 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230284838 1375983347 /nfs/dbraw/zinc/98/33/47/1375983347.db2.gz WQYXSCWMHMFFLZ-QRVBRYPASA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001230334042 1375998815 /nfs/dbraw/zinc/99/88/15/1375998815.db2.gz DOXVEPBLJGLMED-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001230334427 1376000974 /nfs/dbraw/zinc/00/09/74/1376000974.db2.gz WFSZAVZXWKKOCF-QZTJIDSGSA-N 1 3 337.552 3.410 20 30 EGEDHO CCN1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2)CC1 ZINC001140306539 1378043599 /nfs/dbraw/zinc/04/35/99/1378043599.db2.gz SVRFHNJOOHDNOH-ZKTXZKFHSA-N 1 3 338.499 3.095 20 30 EGEDHO CCN1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2)CC1 ZINC001140306539 1378043603 /nfs/dbraw/zinc/04/36/03/1378043603.db2.gz SVRFHNJOOHDNOH-ZKTXZKFHSA-N 1 3 338.499 3.095 20 30 EGEDHO N#Cc1cncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001144083524 1378680661 /nfs/dbraw/zinc/68/06/61/1378680661.db2.gz ILSQTANBESJCLJ-UHFFFAOYSA-N 1 3 332.451 3.051 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCCC)CC1 ZINC001146612586 1378877886 /nfs/dbraw/zinc/87/78/86/1378877886.db2.gz QHWFQMWJMRNJNL-MOPGFXCFSA-N 1 3 349.563 3.175 20 30 EGEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315588 1379150502 /nfs/dbraw/zinc/15/05/02/1379150502.db2.gz PTNUVHWWAKOJHT-UHFFFAOYSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315588 1379150505 /nfs/dbraw/zinc/15/05/05/1379150505.db2.gz PTNUVHWWAKOJHT-UHFFFAOYSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379643 1382088268 /nfs/dbraw/zinc/08/82/68/1382088268.db2.gz MRNIDWZKEGKAJA-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379643 1382088273 /nfs/dbraw/zinc/08/82/73/1382088273.db2.gz MRNIDWZKEGKAJA-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240142 1383573059 /nfs/dbraw/zinc/57/30/59/1383573059.db2.gz CMEOZSAMDLLZKK-UHFFFAOYSA-N 1 3 349.563 3.341 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177379069 1385935047 /nfs/dbraw/zinc/93/50/47/1385935047.db2.gz RPXNIVMUYXRPQT-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177484396 1385974367 /nfs/dbraw/zinc/97/43/67/1385974367.db2.gz CMMOKNVRNDFGJP-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580746 1386522622 /nfs/dbraw/zinc/52/26/22/1386522622.db2.gz OJEBDPTUYOFZFJ-LJQANCHMSA-N 1 3 337.552 3.483 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001752542623 1440194752 /nfs/dbraw/zinc/19/47/52/1440194752.db2.gz NYXPDFDRGIUFLA-WTGUMLROSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752542623 1440194753 /nfs/dbraw/zinc/19/47/53/1440194753.db2.gz NYXPDFDRGIUFLA-WTGUMLROSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001753557391 1440436212 /nfs/dbraw/zinc/43/62/12/1440436212.db2.gz KLPNIPPGKKDJEP-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001753669538 1440461570 /nfs/dbraw/zinc/46/15/70/1440461570.db2.gz VZCYKAYNAFEUGR-SFHVURJKSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001755211721 1440783183 /nfs/dbraw/zinc/78/31/83/1440783183.db2.gz UVIBHVQQNCQCSY-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001755211721 1440783184 /nfs/dbraw/zinc/78/31/84/1440783184.db2.gz UVIBHVQQNCQCSY-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001755275610 1440798907 /nfs/dbraw/zinc/79/89/07/1440798907.db2.gz YMKPPEYHDMXBGC-MUYFXNHWSA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001755278721 1440800082 /nfs/dbraw/zinc/80/00/82/1440800082.db2.gz NVZJIOTZJBCIBN-ACBHZAAOSA-N 1 3 335.536 3.186 20 30 EGEDHO C[N@H+](CCOc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110298 453965330 /nfs/dbraw/zinc/96/53/30/453965330.db2.gz GUWURJDVDYCUDO-OAQYLSRUSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110298 453965333 /nfs/dbraw/zinc/96/53/33/453965333.db2.gz GUWURJDVDYCUDO-OAQYLSRUSA-N 1 3 349.478 3.391 20 30 EGEDHO C=CCC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000121555866 454451951 /nfs/dbraw/zinc/45/19/51/454451951.db2.gz LZKSKIMQCJJFJQ-NRFANRHFSA-N 1 3 328.500 3.478 20 30 EGEDHO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccccc2)n1 ZINC000113320916 454923037 /nfs/dbraw/zinc/92/30/37/454923037.db2.gz SDABXCOEMGFGIW-KRWDZBQOSA-N 1 3 349.482 3.038 20 30 EGEDHO C=CCc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc(OC)c1O ZINC000347045679 457202531 /nfs/dbraw/zinc/20/25/31/457202531.db2.gz NWVUUSWBIPNCGU-SFHVURJKSA-N 1 3 330.472 3.093 20 30 EGEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305653 457803542 /nfs/dbraw/zinc/80/35/42/457803542.db2.gz OIFQIIHMANRXLI-HLNWXESRSA-N 1 3 341.499 3.242 20 30 EGEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305653 457803543 /nfs/dbraw/zinc/80/35/43/457803543.db2.gz OIFQIIHMANRXLI-HLNWXESRSA-N 1 3 341.499 3.242 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000433364578 457821939 /nfs/dbraw/zinc/82/19/39/457821939.db2.gz NRTXVQVJIVBANK-VQTJNVASSA-N 1 3 339.483 3.093 20 30 EGEDHO C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453367654 458524128 /nfs/dbraw/zinc/52/41/28/458524128.db2.gz DNSLRTRVCCRQKH-OAHLLOKOSA-N 1 3 341.430 3.489 20 30 EGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453373785 458526504 /nfs/dbraw/zinc/52/65/04/458526504.db2.gz WUXBCMDMHFHGTR-AFDCHOCNSA-N 1 3 326.484 3.220 20 30 EGEDHO CC1CC[NH+](Cc2cccc(CNC[C@H](O)CC(C)(C)C#N)c2)CC1 ZINC000598720172 460006644 /nfs/dbraw/zinc/00/66/44/460006644.db2.gz LBQKWLXMFAGKFQ-HXUWFJFHSA-N 1 3 343.515 3.309 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)cc1Cl ZINC000303891298 1296871711 /nfs/dbraw/zinc/87/17/11/1296871711.db2.gz QOZSSYDZUIHGQD-CYBMUJFWSA-N 1 3 338.883 3.196 20 30 EGEDHO CC(C)NC(=[NH2+])NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000304696700 1296935441 /nfs/dbraw/zinc/93/54/41/1296935441.db2.gz UBUHNCBQWYOMQN-UHFFFAOYSA-N 1 3 338.499 3.392 20 30 EGEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC(C)(C)C ZINC000304826839 1296946007 /nfs/dbraw/zinc/94/60/07/1296946007.db2.gz HNUQBBLBIOZTSD-KRWDZBQOSA-N 1 3 346.519 3.061 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696331 1319819708 /nfs/dbraw/zinc/81/97/08/1319819708.db2.gz KTXAOQNHWYJVQJ-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696331 1319819720 /nfs/dbraw/zinc/81/97/20/1319819720.db2.gz KTXAOQNHWYJVQJ-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696332 1319820969 /nfs/dbraw/zinc/82/09/69/1319820969.db2.gz KTXAOQNHWYJVQJ-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696332 1319820973 /nfs/dbraw/zinc/82/09/73/1319820973.db2.gz KTXAOQNHWYJVQJ-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523884 1323471872 /nfs/dbraw/zinc/47/18/72/1323471872.db2.gz RLVCRQDHWMEXGU-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523884 1323471878 /nfs/dbraw/zinc/47/18/78/1323471878.db2.gz RLVCRQDHWMEXGU-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593832 1333589203 /nfs/dbraw/zinc/58/92/03/1333589203.db2.gz IMPGMFMYUQPMBG-MRXNPFEDSA-N 1 3 346.862 3.013 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001034370214 1342439192 /nfs/dbraw/zinc/43/91/92/1342439192.db2.gz XIBOGTGKJBVUHI-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001034370214 1342439193 /nfs/dbraw/zinc/43/91/93/1342439193.db2.gz XIBOGTGKJBVUHI-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214142 1344930169 /nfs/dbraw/zinc/93/01/69/1344930169.db2.gz NSDSZBFKWNXXLA-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214142 1344930172 /nfs/dbraw/zinc/93/01/72/1344930172.db2.gz NSDSZBFKWNXXLA-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040209186 1345375606 /nfs/dbraw/zinc/37/56/06/1345375606.db2.gz OKKSHRRILCYFBD-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040209186 1345375611 /nfs/dbraw/zinc/37/56/11/1345375611.db2.gz OKKSHRRILCYFBD-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287537 1345694272 /nfs/dbraw/zinc/69/42/72/1345694272.db2.gz QXAIQHBJPXHMFP-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287537 1345694274 /nfs/dbraw/zinc/69/42/74/1345694274.db2.gz QXAIQHBJPXHMFP-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964619 1346799834 /nfs/dbraw/zinc/79/98/34/1346799834.db2.gz MTPMZRUHYVYXGX-TZIWHRDSSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964619 1346799836 /nfs/dbraw/zinc/79/98/36/1346799836.db2.gz MTPMZRUHYVYXGX-TZIWHRDSSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966433 1346801307 /nfs/dbraw/zinc/80/13/07/1346801307.db2.gz WMTQQDXUGHZJKI-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966433 1346801308 /nfs/dbraw/zinc/80/13/08/1346801308.db2.gz WMTQQDXUGHZJKI-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049765848 1348009330 /nfs/dbraw/zinc/00/93/30/1348009330.db2.gz IGUPLQHGABPSAG-XUVXKRRUSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049765848 1348009334 /nfs/dbraw/zinc/00/93/34/1348009334.db2.gz IGUPLQHGABPSAG-XUVXKRRUSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001080755974 1357733344 /nfs/dbraw/zinc/73/33/44/1357733344.db2.gz DIKMDGLTADPHCA-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001080755974 1357733349 /nfs/dbraw/zinc/73/33/49/1357733349.db2.gz DIKMDGLTADPHCA-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184413373 1387454327 /nfs/dbraw/zinc/45/43/27/1387454327.db2.gz YPCHKMCJJZDRTR-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684030 1360589397 /nfs/dbraw/zinc/58/93/97/1360589397.db2.gz MSPPLXCLFQPKQT-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684030 1360589398 /nfs/dbraw/zinc/58/93/98/1360589398.db2.gz MSPPLXCLFQPKQT-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001089706358 1360609222 /nfs/dbraw/zinc/60/92/22/1360609222.db2.gz RIJPQESOEZYPEU-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001089706358 1360609224 /nfs/dbraw/zinc/60/92/24/1360609224.db2.gz RIJPQESOEZYPEU-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348710 1363764579 /nfs/dbraw/zinc/76/45/79/1363764579.db2.gz KZKXOOPMIYEIJZ-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348709 1363764857 /nfs/dbraw/zinc/76/48/57/1363764857.db2.gz KZKXOOPMIYEIJZ-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504590 1365090447 /nfs/dbraw/zinc/09/04/47/1365090447.db2.gz UZHIMFAOKXERAN-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504590 1365090451 /nfs/dbraw/zinc/09/04/51/1365090451.db2.gz UZHIMFAOKXERAN-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185760485 1387791928 /nfs/dbraw/zinc/79/19/28/1387791928.db2.gz AHXKXLBUQLFREN-RBUKOAKNSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067104 1366304306 /nfs/dbraw/zinc/30/43/06/1366304306.db2.gz MTWKTFQZLPKQDM-RTBURBONSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544607 1366521616 /nfs/dbraw/zinc/52/16/16/1366521616.db2.gz OGZUENLPZZNGJJ-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565771 1366533745 /nfs/dbraw/zinc/53/37/45/1366533745.db2.gz ASMHDJPHJZEWNE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195785630 1368489295 /nfs/dbraw/zinc/48/92/95/1368489295.db2.gz SCUKYQWZXQSAAM-IBGZPJMESA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195785630 1368489298 /nfs/dbraw/zinc/48/92/98/1368489298.db2.gz SCUKYQWZXQSAAM-IBGZPJMESA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112539992 1368920606 /nfs/dbraw/zinc/92/06/06/1368920606.db2.gz AHLSKZRIRSXSBD-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567697 1368930561 /nfs/dbraw/zinc/93/05/61/1368930561.db2.gz CROFGCOXCMGJAE-FPOVZHCZSA-N 1 3 349.563 3.293 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604626 1387984027 /nfs/dbraw/zinc/98/40/27/1387984027.db2.gz GBICNJKNNFXPJK-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604626 1387984030 /nfs/dbraw/zinc/98/40/30/1387984030.db2.gz GBICNJKNNFXPJK-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001115760040 1370743558 /nfs/dbraw/zinc/74/35/58/1370743558.db2.gz JENBDKLKEGDAJJ-SFHVURJKSA-N 1 3 335.536 3.236 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001115760316 1370744542 /nfs/dbraw/zinc/74/45/42/1370744542.db2.gz LVHKCJRPSZSIJD-SFHVURJKSA-N 1 3 335.536 3.236 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120189659 1371502841 /nfs/dbraw/zinc/50/28/41/1371502841.db2.gz NFNNVPPCCYVOQU-HZPDHXFCSA-N 1 3 341.927 3.020 20 30 EGEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001121112782 1371856656 /nfs/dbraw/zinc/85/66/56/1371856656.db2.gz YASFXMREHGJGKO-UHFFFAOYSA-N 1 3 347.547 3.234 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214999618 1373154023 /nfs/dbraw/zinc/15/40/23/1373154023.db2.gz LSCMXIBSHDVKDH-IAGOWNOFSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224740115 1375072800 /nfs/dbraw/zinc/07/28/00/1375072800.db2.gz XOPIHDRQQYMXNM-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001225541987 1375122500 /nfs/dbraw/zinc/12/25/00/1375122500.db2.gz FQWYJCKTCXPUDS-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202183 1375205753 /nfs/dbraw/zinc/20/57/53/1375205753.db2.gz DLCPDWXMYJGNAD-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001132513253 1375433818 /nfs/dbraw/zinc/43/38/18/1375433818.db2.gz QNFBNDQQVZOZJB-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001132513253 1375433822 /nfs/dbraw/zinc/43/38/22/1375433822.db2.gz QNFBNDQQVZOZJB-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001229195334 1375785343 /nfs/dbraw/zinc/78/53/43/1375785343.db2.gz ZFJMBGLRMUUKIK-BRWVUGGUSA-N 1 3 343.943 3.122 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230284837 1375984336 /nfs/dbraw/zinc/98/43/36/1375984336.db2.gz WQYXSCWMHMFFLZ-GUDVDZBRSA-N 1 3 335.536 3.090 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784795 1382505348 /nfs/dbraw/zinc/50/53/48/1382505348.db2.gz KQHIPSSXISRSDF-UHFFFAOYSA-N 1 3 346.519 3.369 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784795 1382505353 /nfs/dbraw/zinc/50/53/53/1382505353.db2.gz KQHIPSSXISRSDF-UHFFFAOYSA-N 1 3 346.519 3.369 20 30 EGEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161930676 1382558022 /nfs/dbraw/zinc/55/80/22/1382558022.db2.gz GYCAMHGPYNUPMK-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161930676 1382558027 /nfs/dbraw/zinc/55/80/27/1382558027.db2.gz GYCAMHGPYNUPMK-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C[C@@H]1CC(NC(=N)c2ccc(F)cn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012575 1383797247 /nfs/dbraw/zinc/79/72/47/1383797247.db2.gz CHLYLOWRQOKSDJ-MVVMVCHASA-N 1 3 340.446 3.368 20 30 EGEDHO C[C@@H]1CC(NC(=N)c2ccc(F)cn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012575 1383797256 /nfs/dbraw/zinc/79/72/56/1383797256.db2.gz CHLYLOWRQOKSDJ-MVVMVCHASA-N 1 3 340.446 3.368 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171585661 1384572520 /nfs/dbraw/zinc/57/25/20/1384572520.db2.gz ADFATMSXYDTUPD-IAGOWNOFSA-N 1 3 325.541 3.336 20 30 EGEDHO CC1(C)C[C@H]([NH2+]Cc2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC001171975137 1384700294 /nfs/dbraw/zinc/70/02/94/1384700294.db2.gz LDEYZHAPWWNTSQ-HXUWFJFHSA-N 1 3 334.467 3.486 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571768 1385335731 /nfs/dbraw/zinc/33/57/31/1385335731.db2.gz FRFSNIJMVCAQIQ-RTBURBONSA-N 1 3 337.552 3.480 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176747114 1385681396 /nfs/dbraw/zinc/68/13/96/1385681396.db2.gz RYBZFDQWEJEUOR-KRWDZBQOSA-N 1 3 331.504 3.203 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001177316688 1385911462 /nfs/dbraw/zinc/91/14/62/1385911462.db2.gz FKRLOCSPGBHNCX-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1CCC ZINC001177335658 1385917986 /nfs/dbraw/zinc/91/79/86/1385917986.db2.gz JDVBSHHEXWYBAQ-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177485013 1385974388 /nfs/dbraw/zinc/97/43/88/1385974388.db2.gz OOCHPFUWMKOJQM-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180357625 1386773693 /nfs/dbraw/zinc/77/36/93/1386773693.db2.gz XZECSVRNMQTBNS-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732396703 1428563896 /nfs/dbraw/zinc/56/38/96/1428563896.db2.gz LYHXBMBPVXYSHA-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(C)C[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001753600013 1440446229 /nfs/dbraw/zinc/44/62/29/1440446229.db2.gz RCCGASXXIXZQCJ-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001754948415 1440714119 /nfs/dbraw/zinc/71/41/19/1440714119.db2.gz IQVMYEROUGFTDP-OAHLLOKOSA-N 1 3 340.471 3.194 20 30 EGEDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000181541572 234224797 /nfs/dbraw/zinc/22/47/97/234224797.db2.gz KLPOXWAUVNTBLW-GOSISDBHSA-N 1 3 348.494 3.156 20 30 EGEDHO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000268714356 252164502 /nfs/dbraw/zinc/16/45/02/252164502.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000268714356 252164504 /nfs/dbraw/zinc/16/45/04/252164504.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 1 3 349.478 3.046 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000179678210 533311913 /nfs/dbraw/zinc/31/19/13/533311913.db2.gz RDZJCUSNKCIQGG-UHFFFAOYSA-N 1 3 329.488 3.129 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000179678210 533311917 /nfs/dbraw/zinc/31/19/17/533311917.db2.gz RDZJCUSNKCIQGG-UHFFFAOYSA-N 1 3 329.488 3.129 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180039868 455120912 /nfs/dbraw/zinc/12/09/12/455120912.db2.gz UFBOBSOXDZPWMR-UHFFFAOYSA-N 1 3 335.517 3.190 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180039868 455120916 /nfs/dbraw/zinc/12/09/16/455120916.db2.gz UFBOBSOXDZPWMR-UHFFFAOYSA-N 1 3 335.517 3.190 20 30 EGEDHO C=CC[NH+]1CCC(NCc2ccc(OC)c(OCC(=C)C)c2)CC1 ZINC000237323297 455173194 /nfs/dbraw/zinc/17/31/94/455173194.db2.gz UUFDEGPDVAZLRW-UHFFFAOYSA-N 1 3 330.472 3.390 20 30 EGEDHO C[N@H+](CCN1CCN(CCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000174847260 455416066 /nfs/dbraw/zinc/41/60/66/455416066.db2.gz QHTREFJWPQAJNC-UHFFFAOYSA-N 1 3 342.531 3.066 20 30 EGEDHO C[N@@H+](CCN1CCN(CCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000174847260 455416072 /nfs/dbraw/zinc/41/60/72/455416072.db2.gz QHTREFJWPQAJNC-UHFFFAOYSA-N 1 3 342.531 3.066 20 30 EGEDHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000278639286 455843089 /nfs/dbraw/zinc/84/30/89/455843089.db2.gz HKEJBUCRVTYPBO-YADHBBJMSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000278639286 455843096 /nfs/dbraw/zinc/84/30/96/455843096.db2.gz HKEJBUCRVTYPBO-YADHBBJMSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000278639275 455843215 /nfs/dbraw/zinc/84/32/15/455843215.db2.gz HKEJBUCRVTYPBO-FGZHOGPDSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000278639275 455843217 /nfs/dbraw/zinc/84/32/17/455843217.db2.gz HKEJBUCRVTYPBO-FGZHOGPDSA-N 1 3 349.478 3.366 20 30 EGEDHO CC1(C)CC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC(C)(C)N1 ZINC000285621345 455884120 /nfs/dbraw/zinc/88/41/20/455884120.db2.gz KUTBOWRKRHOUHS-UHFFFAOYSA-N 1 3 340.515 3.426 20 30 EGEDHO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272700882 456044108 /nfs/dbraw/zinc/04/41/08/456044108.db2.gz YOXNPDGKLOUXLL-AZUAARDMSA-N 1 3 327.516 3.137 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000433355422 457818391 /nfs/dbraw/zinc/81/83/91/457818391.db2.gz VYVZDXTZXYTHNK-LJQANCHMSA-N 1 3 339.483 3.236 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000433355422 457818396 /nfs/dbraw/zinc/81/83/96/457818396.db2.gz VYVZDXTZXYTHNK-LJQANCHMSA-N 1 3 339.483 3.236 20 30 EGEDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133357 458013439 /nfs/dbraw/zinc/01/34/39/458013439.db2.gz IUAAJHIXWVFONT-UYAOXDASSA-N 1 3 327.472 3.285 20 30 EGEDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133357 458013443 /nfs/dbraw/zinc/01/34/43/458013443.db2.gz IUAAJHIXWVFONT-UYAOXDASSA-N 1 3 327.472 3.285 20 30 EGEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928222 458225852 /nfs/dbraw/zinc/22/58/52/458225852.db2.gz OVDURZDKTIMNEJ-OALUTQOASA-N 1 3 327.472 3.140 20 30 EGEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928222 458225859 /nfs/dbraw/zinc/22/58/59/458225859.db2.gz OVDURZDKTIMNEJ-OALUTQOASA-N 1 3 327.472 3.140 20 30 EGEDHO C[N@H+](Cc1ccccc1NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424141470 458568850 /nfs/dbraw/zinc/56/88/50/458568850.db2.gz UFOZNGRBHBSGSQ-GOSISDBHSA-N 1 3 342.487 3.411 20 30 EGEDHO C[N@@H+](Cc1ccccc1NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424141470 458568854 /nfs/dbraw/zinc/56/88/54/458568854.db2.gz UFOZNGRBHBSGSQ-GOSISDBHSA-N 1 3 342.487 3.411 20 30 EGEDHO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000439080518 458650268 /nfs/dbraw/zinc/65/02/68/458650268.db2.gz YGTMWJVIQRDXLY-OAQYLSRUSA-N 1 3 327.516 3.268 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786440 461898498 /nfs/dbraw/zinc/89/84/98/461898498.db2.gz SPWALRHHWNANMW-LJQANCHMSA-N 1 3 344.499 3.472 20 30 EGEDHO C=C(C)COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OC ZINC000127277149 1293558095 /nfs/dbraw/zinc/55/80/95/1293558095.db2.gz INLQAVRQOGODBG-QGZVFWFLSA-N 1 3 330.472 3.224 20 30 EGEDHO CCN(CC)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CC(C)C ZINC000304508375 1296930929 /nfs/dbraw/zinc/93/09/29/1296930929.db2.gz VTDOJNFQUPRCLM-WMZOPIPTSA-N 1 3 346.519 3.171 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819023345 1319616019 /nfs/dbraw/zinc/61/60/19/1319616019.db2.gz FWALHUCUASRYAF-QGZVFWFLSA-N 1 3 326.843 3.143 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696469 1319820790 /nfs/dbraw/zinc/82/07/90/1319820790.db2.gz NUQALFUYULWQKH-VQTJNVASSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696469 1319820799 /nfs/dbraw/zinc/82/07/99/1319820799.db2.gz NUQALFUYULWQKH-VQTJNVASSA-N 1 3 349.563 3.435 20 30 EGEDHO C[N@@H+]1CCC[C@@H](CCNCc2cc(C#N)ccc2Br)C1 ZINC000922181520 1322473482 /nfs/dbraw/zinc/47/34/82/1322473482.db2.gz SWMKSWODLVFTDU-ZDUSSCGKSA-N 1 3 336.277 3.142 20 30 EGEDHO C[N@H+]1CCC[C@@H](CCNCc2cc(C#N)ccc2Br)C1 ZINC000922181520 1322473486 /nfs/dbraw/zinc/47/34/86/1322473486.db2.gz SWMKSWODLVFTDU-ZDUSSCGKSA-N 1 3 336.277 3.142 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231145 1324017302 /nfs/dbraw/zinc/01/73/02/1324017302.db2.gz GNYVEIFETYGJHM-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231145 1324017308 /nfs/dbraw/zinc/01/73/08/1324017308.db2.gz GNYVEIFETYGJHM-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257658 1324065120 /nfs/dbraw/zinc/06/51/20/1324065120.db2.gz FQUDRQNPUGLJBH-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257658 1324065122 /nfs/dbraw/zinc/06/51/22/1324065122.db2.gz FQUDRQNPUGLJBH-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056950 1333358604 /nfs/dbraw/zinc/35/86/04/1333358604.db2.gz OOZMSYXUESLCSS-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056950 1333358610 /nfs/dbraw/zinc/35/86/10/1333358610.db2.gz OOZMSYXUESLCSS-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620933 1338667404 /nfs/dbraw/zinc/66/74/04/1338667404.db2.gz NCJLFIJPLBBMLW-SFHVURJKSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207721 1345376194 /nfs/dbraw/zinc/37/61/94/1345376194.db2.gz GYRLUADTMLBOKB-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207721 1345376198 /nfs/dbraw/zinc/37/61/98/1345376198.db2.gz GYRLUADTMLBOKB-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040947969 1345607560 /nfs/dbraw/zinc/60/75/60/1345607560.db2.gz KQLFDOQURUBWGH-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC(C)(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001045647222 1346658182 /nfs/dbraw/zinc/65/81/82/1346658182.db2.gz WOTAYLKKVDRZIB-UHFFFAOYSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913519 1348108845 /nfs/dbraw/zinc/10/88/45/1348108845.db2.gz ZFDIYKBPBLBMLS-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913519 1348108847 /nfs/dbraw/zinc/10/88/47/1348108847.db2.gz ZFDIYKBPBLBMLS-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CN1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054273110 1349273068 /nfs/dbraw/zinc/27/30/68/1349273068.db2.gz UWFCLXWFCSBXAD-UHFFFAOYSA-N 1 3 346.434 3.156 20 30 EGEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183509468 1387315191 /nfs/dbraw/zinc/31/51/91/1387315191.db2.gz HVRUZANIQCOSSA-DYESRHJHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639537 1360553303 /nfs/dbraw/zinc/55/33/03/1360553303.db2.gz XGHZUIZSVSUUMA-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639537 1360553306 /nfs/dbraw/zinc/55/33/06/1360553306.db2.gz XGHZUIZSVSUUMA-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684029 1360589889 /nfs/dbraw/zinc/58/98/89/1360589889.db2.gz MSPPLXCLFQPKQT-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684029 1360589891 /nfs/dbraw/zinc/58/98/91/1360589891.db2.gz MSPPLXCLFQPKQT-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098820094 1363481634 /nfs/dbraw/zinc/48/16/34/1363481634.db2.gz FYLATBUATBHNLG-QUCCMNQESA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101444078 1364567577 /nfs/dbraw/zinc/56/75/77/1364567577.db2.gz YBBSBMQYQWFFBQ-QUCCMNQESA-N 1 3 337.552 3.079 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101444078 1364567581 /nfs/dbraw/zinc/56/75/81/1364567581.db2.gz YBBSBMQYQWFFBQ-QUCCMNQESA-N 1 3 337.552 3.079 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185750960 1387789826 /nfs/dbraw/zinc/78/98/26/1387789826.db2.gz MXIHKGSPFVNZAI-ZWKOTPCHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246005 1368216326 /nfs/dbraw/zinc/21/63/26/1368216326.db2.gz IROFOXOYIHRRHN-PKOBYXMFSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246005 1368216328 /nfs/dbraw/zinc/21/63/28/1368216328.db2.gz IROFOXOYIHRRHN-PKOBYXMFSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCCN1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001196375669 1368601100 /nfs/dbraw/zinc/60/11/00/1368601100.db2.gz NEPUAAVHQQAILV-UHFFFAOYSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCN1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001196375669 1368601106 /nfs/dbraw/zinc/60/11/06/1368601106.db2.gz NEPUAAVHQQAILV-UHFFFAOYSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605221 1387984142 /nfs/dbraw/zinc/98/41/42/1387984142.db2.gz MARWVOXXNQFCLG-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605221 1387984147 /nfs/dbraw/zinc/98/41/47/1387984147.db2.gz MARWVOXXNQFCLG-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114920993 1370150046 /nfs/dbraw/zinc/15/00/46/1370150046.db2.gz FAYUVIZZGBWFIX-WCIQWLHISA-N 1 3 349.563 3.266 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114920993 1370150048 /nfs/dbraw/zinc/15/00/48/1370150048.db2.gz FAYUVIZZGBWFIX-WCIQWLHISA-N 1 3 349.563 3.266 20 30 EGEDHO C[C@H]1CCN(Cc2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205654487 1370829862 /nfs/dbraw/zinc/82/98/62/1370829862.db2.gz XALKCAWJTGSFLK-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189724 1371502885 /nfs/dbraw/zinc/50/28/85/1371502885.db2.gz PVDHUGRWAGYCSS-ROUUACIJSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393934 1371560881 /nfs/dbraw/zinc/56/08/81/1371560881.db2.gz YYBXRUBWNAKUPZ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393934 1371560887 /nfs/dbraw/zinc/56/08/87/1371560887.db2.gz YYBXRUBWNAKUPZ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431142 1371574617 /nfs/dbraw/zinc/57/46/17/1371574617.db2.gz PZMGSINMXICXEJ-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431142 1371574618 /nfs/dbraw/zinc/57/46/18/1371574618.db2.gz PZMGSINMXICXEJ-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121267118 1371915813 /nfs/dbraw/zinc/91/58/13/1371915813.db2.gz DTCPKGUOKMHDMC-FCOWATRHSA-N 1 3 349.563 3.336 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857960 1388178951 /nfs/dbraw/zinc/17/89/51/1388178951.db2.gz WFSYRJPUDMNKFW-SLFFLAALSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857960 1388178953 /nfs/dbraw/zinc/17/89/53/1388178953.db2.gz WFSYRJPUDMNKFW-SLFFLAALSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001122242817 1372210045 /nfs/dbraw/zinc/21/00/45/1372210045.db2.gz QLYOZQDQNCAUCJ-SSBRDVDXSA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376922 1372544138 /nfs/dbraw/zinc/54/41/38/1372544138.db2.gz PGCRMKVXOSCZBA-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376922 1372544141 /nfs/dbraw/zinc/54/41/41/1372544141.db2.gz PGCRMKVXOSCZBA-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634408 1373092936 /nfs/dbraw/zinc/09/29/36/1373092936.db2.gz NAEQMMRILMUDHB-FGTMMUONSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132153643 1375173424 /nfs/dbraw/zinc/17/34/24/1375173424.db2.gz RTTLUEIZHBSKIO-ZWKOTPCHSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132153643 1375173427 /nfs/dbraw/zinc/17/34/27/1375173427.db2.gz RTTLUEIZHBSKIO-ZWKOTPCHSA-N 1 3 337.552 3.432 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226799916 1375338674 /nfs/dbraw/zinc/33/86/74/1375338674.db2.gz GLJBZWWLVIMXFA-QRVBRYPASA-N 1 3 337.552 3.314 20 30 EGEDHO C=CCCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001132523886 1375438994 /nfs/dbraw/zinc/43/89/94/1375438994.db2.gz BLDKOYGCIGALHI-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001132523886 1375438996 /nfs/dbraw/zinc/43/89/96/1375438996.db2.gz BLDKOYGCIGALHI-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132830210 1375586971 /nfs/dbraw/zinc/58/69/71/1375586971.db2.gz BEKQYYIAYNEAOQ-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001229461939 1375840624 /nfs/dbraw/zinc/84/06/24/1375840624.db2.gz GEKSOZZNAFKXDD-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001229461937 1375840738 /nfs/dbraw/zinc/84/07/38/1375840738.db2.gz GEKSOZZNAFKXDD-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691618 1377185483 /nfs/dbraw/zinc/18/54/83/1377185483.db2.gz XREIHGGXIWWWHI-MSOLQXFVSA-N 1 3 325.541 3.338 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582175 1378871277 /nfs/dbraw/zinc/87/12/77/1378871277.db2.gz FINLAHAQYNLXOR-SJORKVTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585503 1378872505 /nfs/dbraw/zinc/87/25/05/1378872505.db2.gz ZAMPZXIOXHXMGI-SJORKVTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877667 1380501838 /nfs/dbraw/zinc/50/18/38/1380501838.db2.gz DQIWFMAUBXZKLH-GOSISDBHSA-N 1 3 325.541 3.291 20 30 EGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877667 1380501839 /nfs/dbraw/zinc/50/18/39/1380501839.db2.gz DQIWFMAUBXZKLH-GOSISDBHSA-N 1 3 325.541 3.291 20 30 EGEDHO C=CCOC(=O)[C@@H](N)CCCCNc1[nH+]ccc2cccc(C)c21 ZINC001159924295 1381939405 /nfs/dbraw/zinc/93/94/05/1381939405.db2.gz LTOWDBLDJNHUKR-INIZCTEOSA-N 1 3 327.428 3.182 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359966 1382083240 /nfs/dbraw/zinc/08/32/40/1382083240.db2.gz HZCKFFBHZSTVOG-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359966 1382083242 /nfs/dbraw/zinc/08/32/42/1382083242.db2.gz HZCKFFBHZSTVOG-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518186 1382129589 /nfs/dbraw/zinc/12/95/89/1382129589.db2.gz IQGVEENXIQICIV-QGZVFWFLSA-N 1 3 335.536 3.210 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518186 1382129591 /nfs/dbraw/zinc/12/95/91/1382129591.db2.gz IQGVEENXIQICIV-QGZVFWFLSA-N 1 3 335.536 3.210 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133901 1382313623 /nfs/dbraw/zinc/31/36/23/1382313623.db2.gz SRBKSNFTPLRHOS-PKOBYXMFSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133901 1382313627 /nfs/dbraw/zinc/31/36/27/1382313627.db2.gz SRBKSNFTPLRHOS-PKOBYXMFSA-N 1 3 335.536 3.066 20 30 EGEDHO CCCCCCC[C@H](C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447559 1382414103 /nfs/dbraw/zinc/41/41/03/1382414103.db2.gz XXTOVMZNDYWAQN-ZWKOTPCHSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952964 1382569155 /nfs/dbraw/zinc/56/91/55/1382569155.db2.gz MYCPOKUKEHDVOL-UYAOXDASSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952964 1382569161 /nfs/dbraw/zinc/56/91/61/1382569161.db2.gz MYCPOKUKEHDVOL-UYAOXDASSA-N 1 3 347.547 3.354 20 30 EGEDHO N#Cc1ccc(O[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168394726 1383895178 /nfs/dbraw/zinc/89/51/78/1383895178.db2.gz DSOUWKDOSPLMCA-NRFANRHFSA-N 1 3 339.483 3.276 20 30 EGEDHO N#Cc1ccc(O[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168394726 1383895180 /nfs/dbraw/zinc/89/51/80/1383895180.db2.gz DSOUWKDOSPLMCA-NRFANRHFSA-N 1 3 339.483 3.276 20 30 EGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001171194304 1384465384 /nfs/dbraw/zinc/46/53/84/1384465384.db2.gz JGXZIAKPYKFWEI-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248352 1384478484 /nfs/dbraw/zinc/47/84/84/1384478484.db2.gz SZUIADZIGATEBQ-PKOBYXMFSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256786 1385231209 /nfs/dbraw/zinc/23/12/09/1385231209.db2.gz OSDNVXGOWMJAJO-RTBURBONSA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001177484394 1385974087 /nfs/dbraw/zinc/97/40/87/1385974087.db2.gz CMMOKNVRNDFGJP-KDURUIRLSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)CN(C)CCCCCC ZINC001179839052 1386602747 /nfs/dbraw/zinc/60/27/47/1386602747.db2.gz XXRDLMJOROXBSG-UHFFFAOYSA-N 1 3 325.541 3.341 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001754351353 1440590849 /nfs/dbraw/zinc/59/08/49/1440590849.db2.gz NQZFSFLQKPXBTD-WOJBJXKFSA-N 1 3 343.515 3.203 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001754558573 1440633004 /nfs/dbraw/zinc/63/30/04/1440633004.db2.gz WONGOYWMGPCNQK-OAQYLSRUSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001754558573 1440633005 /nfs/dbraw/zinc/63/30/05/1440633005.db2.gz WONGOYWMGPCNQK-OAQYLSRUSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001754948952 1440714503 /nfs/dbraw/zinc/71/45/03/1440714503.db2.gz SNAPYVASGIWKEB-FXAWDEMLSA-N 1 3 343.515 3.402 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139295 1440759541 /nfs/dbraw/zinc/75/95/41/1440759541.db2.gz VKCKNBMJHWIFBK-IRXDYDNUSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139295 1440759542 /nfs/dbraw/zinc/75/95/42/1440759542.db2.gz VKCKNBMJHWIFBK-IRXDYDNUSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001755865570 1440937842 /nfs/dbraw/zinc/93/78/42/1440937842.db2.gz IWHWCIQIOSNWHA-PBPGXSGUSA-N 1 3 343.515 3.296 20 30 EGEDHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc(C#N)cc1 ZINC000266520024 248342979 /nfs/dbraw/zinc/34/29/79/248342979.db2.gz ZLHLHERYONFDAI-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO CC(C)(CCC#N)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000267278803 455529859 /nfs/dbraw/zinc/52/98/59/455529859.db2.gz OLYKZAHIHVQDND-UHFFFAOYSA-N 1 3 329.488 3.063 20 30 EGEDHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)Nc1ccccc1 ZINC000161528529 455578852 /nfs/dbraw/zinc/57/88/52/455578852.db2.gz ZQAYUFULNDSPRX-HNNXBMFYSA-N 1 3 328.485 3.387 20 30 EGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000185786385 455622110 /nfs/dbraw/zinc/62/21/10/455622110.db2.gz NNKHEAOYLLZVOQ-WOJBJXKFSA-N 1 3 340.515 3.261 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317718 457809074 /nfs/dbraw/zinc/80/90/74/457809074.db2.gz LQKGCCKTZSQOKP-IBGZPJMESA-N 1 3 339.483 3.236 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000433355419 457818735 /nfs/dbraw/zinc/81/87/35/457818735.db2.gz VYVZDXTZXYTHNK-IBGZPJMESA-N 1 3 339.483 3.236 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000433355419 457818744 /nfs/dbraw/zinc/81/87/44/457818744.db2.gz VYVZDXTZXYTHNK-IBGZPJMESA-N 1 3 339.483 3.236 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000436289618 458284393 /nfs/dbraw/zinc/28/43/93/458284393.db2.gz XSMPSKYKVYMBJO-YHINDDMVSA-N 1 3 340.511 3.468 20 30 EGEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000424158663 458574299 /nfs/dbraw/zinc/57/42/99/458574299.db2.gz RQKNEVLNMASHMU-SFHVURJKSA-N 1 3 328.460 3.022 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488166495 459541259 /nfs/dbraw/zinc/54/12/59/459541259.db2.gz ULIBNBFQLQJTHG-UHFFFAOYSA-N 1 3 343.515 3.437 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488166495 459541267 /nfs/dbraw/zinc/54/12/67/459541267.db2.gz ULIBNBFQLQJTHG-UHFFFAOYSA-N 1 3 343.515 3.437 20 30 EGEDHO CC(C#N)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602176789 459859233 /nfs/dbraw/zinc/85/92/33/459859233.db2.gz LPZQPPBRUCKMBW-KRWDZBQOSA-N 1 3 325.456 3.051 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598714686 460003800 /nfs/dbraw/zinc/00/38/00/460003800.db2.gz IJVAYAFNEMMWBA-PXNSSMCTSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598714686 460003806 /nfs/dbraw/zinc/00/38/06/460003806.db2.gz IJVAYAFNEMMWBA-PXNSSMCTSA-N 1 3 343.515 3.451 20 30 EGEDHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000594441921 460221513 /nfs/dbraw/zinc/22/15/13/460221513.db2.gz YOHKLZYPPPRWEI-GOSISDBHSA-N 1 3 328.460 3.022 20 30 EGEDHO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000152938541 526605016 /nfs/dbraw/zinc/60/50/16/526605016.db2.gz LCTISKTYJLYJCG-SFHVURJKSA-N 1 3 345.531 3.318 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000164518555 1294348847 /nfs/dbraw/zinc/34/88/47/1294348847.db2.gz ZNZDOTUXJQRLCD-LPHOPBHVSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000164518555 1294348852 /nfs/dbraw/zinc/34/88/52/1294348852.db2.gz ZNZDOTUXJQRLCD-LPHOPBHVSA-N 1 3 330.472 3.045 20 30 EGEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178035974 1294712128 /nfs/dbraw/zinc/71/21/28/1294712128.db2.gz KWOFJJWEUOOUDL-OTWHNJEPSA-N 1 3 344.499 3.239 20 30 EGEDHO C#CCOc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000236693436 1296197650 /nfs/dbraw/zinc/19/76/50/1296197650.db2.gz OYAPMUBNARYWEQ-JOCHJYFZSA-N 1 3 348.490 3.353 20 30 EGEDHO C=CCc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000246257604 1296344858 /nfs/dbraw/zinc/34/48/58/1296344858.db2.gz GYXJSECJEFNLHI-FUHWJXTLSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000246257604 1296344869 /nfs/dbraw/zinc/34/48/69/1296344869.db2.gz GYXJSECJEFNLHI-FUHWJXTLSA-N 1 3 330.472 3.045 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902871413 1317625266 /nfs/dbraw/zinc/62/52/66/1317625266.db2.gz NWPKVSLJTHOQCU-QKLQHJQFSA-N 1 3 329.488 3.488 20 30 EGEDHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079830 1319628740 /nfs/dbraw/zinc/62/87/40/1319628740.db2.gz WXFYCCWJNOLKPP-JTSKRJEESA-N 1 3 349.478 3.407 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC000964438052 1325525628 /nfs/dbraw/zinc/52/56/28/1325525628.db2.gz RLFNDSNXDJGOBW-UHFFFAOYSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037848179 1344135999 /nfs/dbraw/zinc/13/59/99/1344135999.db2.gz BBZAOCARBSTXNN-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1C ZINC001088970646 1360119875 /nfs/dbraw/zinc/11/98/75/1360119875.db2.gz JNVQSJNBXRYBNR-CEXWTWQISA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1C ZINC001088970646 1360119882 /nfs/dbraw/zinc/11/98/82/1360119882.db2.gz JNVQSJNBXRYBNR-CEXWTWQISA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529469 1361846855 /nfs/dbraw/zinc/84/68/55/1361846855.db2.gz WEFWNHPXQXJPHH-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529469 1361846857 /nfs/dbraw/zinc/84/68/57/1361846857.db2.gz WEFWNHPXQXJPHH-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097219072 1362890419 /nfs/dbraw/zinc/89/04/19/1362890419.db2.gz RSRYNVWUNYVJQK-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097219072 1362890422 /nfs/dbraw/zinc/89/04/22/1362890422.db2.gz RSRYNVWUNYVJQK-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097705621 1363105596 /nfs/dbraw/zinc/10/55/96/1363105596.db2.gz SWZRHAMELSYYEC-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097705621 1363105598 /nfs/dbraw/zinc/10/55/98/1363105598.db2.gz SWZRHAMELSYYEC-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001098191453 1363250106 /nfs/dbraw/zinc/25/01/06/1363250106.db2.gz GTUSYABYQUZTQD-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001098191453 1363250108 /nfs/dbraw/zinc/25/01/08/1363250108.db2.gz GTUSYABYQUZTQD-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001099069221 1363605655 /nfs/dbraw/zinc/60/56/55/1363605655.db2.gz CIGMSJIEAUMKLO-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001099069221 1363605659 /nfs/dbraw/zinc/60/56/59/1363605659.db2.gz CIGMSJIEAUMKLO-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099154045 1363660564 /nfs/dbraw/zinc/66/05/64/1363660564.db2.gz TYUJHBYRPDRELQ-MOPGFXCFSA-N 1 3 347.547 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251424 1363713787 /nfs/dbraw/zinc/71/37/87/1363713787.db2.gz JRRXIQHPPRREII-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099251424 1363713790 /nfs/dbraw/zinc/71/37/90/1363713790.db2.gz JRRXIQHPPRREII-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099251424 1363713792 /nfs/dbraw/zinc/71/37/92/1363713792.db2.gz JRRXIQHPPRREII-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105541637 1366520121 /nfs/dbraw/zinc/52/01/21/1366520121.db2.gz GOVMQEPXMKFTEY-LJQANCHMSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246004 1368216428 /nfs/dbraw/zinc/21/64/28/1368216428.db2.gz IROFOXOYIHRRHN-MJGOQNOKSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246004 1368216430 /nfs/dbraw/zinc/21/64/30/1368216430.db2.gz IROFOXOYIHRRHN-MJGOQNOKSA-N 1 3 343.515 3.249 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201150066 1369486364 /nfs/dbraw/zinc/48/63/64/1369486364.db2.gz VANQJLVZEOTAKH-SFHVURJKSA-N 1 3 325.541 3.124 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115533860 1370531603 /nfs/dbraw/zinc/53/16/03/1370531603.db2.gz VPIJMJIDMWYCFH-MRXNPFEDSA-N 1 3 341.927 3.020 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533860 1370531608 /nfs/dbraw/zinc/53/16/08/1370531608.db2.gz VPIJMJIDMWYCFH-MRXNPFEDSA-N 1 3 341.927 3.020 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCCCC1 ZINC001115562924 1370562994 /nfs/dbraw/zinc/56/29/94/1370562994.db2.gz LOCCZHCCQUHAAJ-GOSISDBHSA-N 1 3 335.536 3.236 20 30 EGEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001121860530 1372105687 /nfs/dbraw/zinc/10/56/87/1372105687.db2.gz MPGRQJHSLIGQLF-MBEFBZSESA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001121978398 1372142625 /nfs/dbraw/zinc/14/26/25/1372142625.db2.gz NPXNKUOUXONVLY-SXLOBPIMSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978398 1372142629 /nfs/dbraw/zinc/14/26/29/1372142629.db2.gz NPXNKUOUXONVLY-SXLOBPIMSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCCCC[C@H]([NH3+])C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161158362 1382319329 /nfs/dbraw/zinc/31/93/29/1382319329.db2.gz GBRAAKFITCCPBL-IBGZPJMESA-N 1 3 331.504 3.041 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCCN2CCN(C)CC2)cc1 ZINC001161710244 1382486879 /nfs/dbraw/zinc/48/68/79/1382486879.db2.gz AUDIOQPGNAVZET-NRFANRHFSA-N 1 3 342.531 3.059 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCN2CCN(C)CC2)cc1 ZINC001161710244 1382486883 /nfs/dbraw/zinc/48/68/83/1382486883.db2.gz AUDIOQPGNAVZET-NRFANRHFSA-N 1 3 342.531 3.059 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770034 1384383240 /nfs/dbraw/zinc/38/32/40/1384383240.db2.gz SOZXAPUUPSUAMZ-SFHVURJKSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237463 1384476451 /nfs/dbraw/zinc/47/64/51/1384476451.db2.gz QHFOHISQNXAIEV-SFHVURJKSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCN1C(=O)CCC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171634843 1384587202 /nfs/dbraw/zinc/58/72/02/1384587202.db2.gz IMLOSHJVLCGRLR-UHFFFAOYSA-N 1 3 347.547 3.281 20 30 EGEDHO COCCC[NH+]1CCC(N2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001172256211 1384756868 /nfs/dbraw/zinc/75/68/68/1384756868.db2.gz SEKZUDUASLBZTB-UHFFFAOYSA-N 1 3 341.499 3.239 20 30 EGEDHO COc1cccc(C2([NH3+])CCN(C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173590830 1384983031 /nfs/dbraw/zinc/98/30/31/1384983031.db2.gz DDVVDEPNTIXULR-UHFFFAOYSA-N 1 3 327.472 3.417 20 30 EGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737611 1385676832 /nfs/dbraw/zinc/67/68/32/1385676832.db2.gz LCORWPRNSCLSLH-KRWDZBQOSA-N 1 3 331.504 3.203 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001717378267 1421321678 /nfs/dbraw/zinc/32/16/78/1421321678.db2.gz UCKCSLIQZXCWAC-PMACEKPBSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001717378267 1421321682 /nfs/dbraw/zinc/32/16/82/1421321682.db2.gz UCKCSLIQZXCWAC-PMACEKPBSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001752536492 1440194272 /nfs/dbraw/zinc/19/42/72/1440194272.db2.gz XGAZWXJGVFVRDN-SLFFLAALSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001752536492 1440194273 /nfs/dbraw/zinc/19/42/73/1440194273.db2.gz XGAZWXJGVFVRDN-SLFFLAALSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754807825 1440691558 /nfs/dbraw/zinc/69/15/58/1440691558.db2.gz UIOZNAGXNGOLQX-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755144048 1440762546 /nfs/dbraw/zinc/76/25/46/1440762546.db2.gz VYQZAIDZZFETAE-GOSISDBHSA-N 1 3 346.519 3.224 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755144048 1440762547 /nfs/dbraw/zinc/76/25/47/1440762547.db2.gz VYQZAIDZZFETAE-GOSISDBHSA-N 1 3 346.519 3.224 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001755176254 1440770756 /nfs/dbraw/zinc/77/07/56/1440770756.db2.gz ZFIYRXVEOAZSIB-UHFFFAOYSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001755278877 1440799990 /nfs/dbraw/zinc/79/99/90/1440799990.db2.gz UXJGTWQWGUXXGN-UHFFFAOYSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755843374 1440932351 /nfs/dbraw/zinc/93/23/51/1440932351.db2.gz FLNREIGLGGPTOL-IAGOWNOFSA-N 1 3 335.536 3.042 20 30 EGEDHO N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000069749928 283145314 /nfs/dbraw/zinc/14/53/14/283145314.db2.gz FFDLEIHYKNFTAV-UHFFFAOYSA-N 1 3 348.494 3.250 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000122036320 222001536 /nfs/dbraw/zinc/00/15/36/222001536.db2.gz HHSIILWOKFLTBN-UHFFFAOYSA-N 1 3 329.488 3.129 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000122036320 222001539 /nfs/dbraw/zinc/00/15/39/222001539.db2.gz HHSIILWOKFLTBN-UHFFFAOYSA-N 1 3 329.488 3.129 20 30 EGEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cn1 ZINC000563356417 316005732 /nfs/dbraw/zinc/00/57/32/316005732.db2.gz SBSWJFBIDCJCGR-UHFFFAOYSA-N 1 3 335.455 3.087 20 30 EGEDHO CCN1CCN(Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174274980 455375542 /nfs/dbraw/zinc/37/55/42/455375542.db2.gz KMSOZXXHQVGBAI-UHFFFAOYSA-N 1 3 342.531 3.244 20 30 EGEDHO CC(C)(CCC#N)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000174358944 455381961 /nfs/dbraw/zinc/38/19/61/455381961.db2.gz BHYKFECLHBDJRY-UHFFFAOYSA-N 1 3 329.488 3.063 20 30 EGEDHO CCC[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000160124361 455430556 /nfs/dbraw/zinc/43/05/56/455430556.db2.gz NBCSSPRIKHPRDR-SFHVURJKSA-N 1 3 344.478 3.130 20 30 EGEDHO C[NH+]1CCC2(CCCN2Cc2cccc(OCCCC#N)c2)CC1 ZINC000364945301 457719193 /nfs/dbraw/zinc/71/91/93/457719193.db2.gz CEXCYTGHUNVAJZ-UHFFFAOYSA-N 1 3 327.472 3.429 20 30 EGEDHO CN1CCC2(CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)CC1 ZINC000364945301 457719197 /nfs/dbraw/zinc/71/91/97/457719197.db2.gz CEXCYTGHUNVAJZ-UHFFFAOYSA-N 1 3 327.472 3.429 20 30 EGEDHO CN1CCC2(CCC[N@H+]2Cc2cccc(OCCCC#N)c2)CC1 ZINC000364945301 457719200 /nfs/dbraw/zinc/71/92/00/457719200.db2.gz CEXCYTGHUNVAJZ-UHFFFAOYSA-N 1 3 327.472 3.429 20 30 EGEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314114 457807154 /nfs/dbraw/zinc/80/71/54/457807154.db2.gz YFNBIZLYAXEMHI-MJGOQNOKSA-N 1 3 341.499 3.386 20 30 EGEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314114 457807159 /nfs/dbraw/zinc/80/71/59/457807159.db2.gz YFNBIZLYAXEMHI-MJGOQNOKSA-N 1 3 341.499 3.386 20 30 EGEDHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1C#N ZINC000594970289 459200862 /nfs/dbraw/zinc/20/08/62/459200862.db2.gz XKAWFHUHURZEAL-UHFFFAOYSA-N 1 3 334.467 3.264 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1C#N ZINC000481190700 459238970 /nfs/dbraw/zinc/23/89/70/459238970.db2.gz LQTLLOJKPJMZEX-WIYYLYMNSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1C#N ZINC000481190700 459238973 /nfs/dbraw/zinc/23/89/73/459238973.db2.gz LQTLLOJKPJMZEX-WIYYLYMNSA-N 1 3 349.478 3.437 20 30 EGEDHO Cc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000487889000 459535935 /nfs/dbraw/zinc/53/59/35/459535935.db2.gz OMJHZDQNOQGXBZ-HDICACEKSA-N 1 3 341.499 3.188 20 30 EGEDHO Cc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000487889000 459535944 /nfs/dbraw/zinc/53/59/44/459535944.db2.gz OMJHZDQNOQGXBZ-HDICACEKSA-N 1 3 341.499 3.188 20 30 EGEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000593324581 459843044 /nfs/dbraw/zinc/84/30/44/459843044.db2.gz XRVMDHYNBIBOEM-FCHUYYIVSA-N 1 3 346.478 3.257 20 30 EGEDHO N#Cc1cccc(CN2CCC(N[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000593324581 459843050 /nfs/dbraw/zinc/84/30/50/459843050.db2.gz XRVMDHYNBIBOEM-FCHUYYIVSA-N 1 3 346.478 3.257 20 30 EGEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612857 459963307 /nfs/dbraw/zinc/96/33/07/459963307.db2.gz CFYMXXOGVXPGTP-DLBZAZTESA-N 1 3 349.544 3.111 20 30 EGEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612857 459963310 /nfs/dbraw/zinc/96/33/10/459963310.db2.gz CFYMXXOGVXPGTP-DLBZAZTESA-N 1 3 349.544 3.111 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000602529964 459984689 /nfs/dbraw/zinc/98/46/89/459984689.db2.gz DDVQIECDDXBEPJ-QGZVFWFLSA-N 1 3 333.520 3.330 20 30 EGEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700524 459998567 /nfs/dbraw/zinc/99/85/67/459998567.db2.gz OLHQHERIDBPCOM-YLJYHZDGSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700524 459998574 /nfs/dbraw/zinc/99/85/74/459998574.db2.gz OLHQHERIDBPCOM-YLJYHZDGSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000602565533 459999310 /nfs/dbraw/zinc/99/93/10/459999310.db2.gz RTISBAKKQIBARX-QGZVFWFLSA-N 1 3 333.520 3.472 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000598721122 460006579 /nfs/dbraw/zinc/00/65/79/460006579.db2.gz SMEAPHDHOCYMRZ-FQEVSTJZSA-N 1 3 343.515 3.453 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000611392620 460354225 /nfs/dbraw/zinc/35/42/25/460354225.db2.gz YZAIDWIIXCYCEU-LZJOCLMNSA-N 1 3 341.499 3.415 20 30 EGEDHO C=CCc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000246563341 1296360941 /nfs/dbraw/zinc/36/09/41/1296360941.db2.gz LSJQHBFGMQKFHZ-SJLPKXTDSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000246563341 1296360953 /nfs/dbraw/zinc/36/09/53/1296360953.db2.gz LSJQHBFGMQKFHZ-SJLPKXTDSA-N 1 3 330.472 3.045 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000303911723 1296880880 /nfs/dbraw/zinc/88/08/80/1296880880.db2.gz ZTUVHEPVABJABY-OLZOCXBDSA-N 1 3 338.883 3.196 20 30 EGEDHO CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000305034504 1296954443 /nfs/dbraw/zinc/95/44/43/1296954443.db2.gz SBJVFCXUMIXQHV-FUHWJXTLSA-N 1 3 346.519 3.061 20 30 EGEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001026609200 1324930979 /nfs/dbraw/zinc/93/09/79/1324930979.db2.gz BFZPJNWVUUHTTD-UHFFFAOYSA-N 1 3 349.906 3.131 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031334 1332482011 /nfs/dbraw/zinc/48/20/11/1332482011.db2.gz ZVKAMCITCVZWSK-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031334 1332482013 /nfs/dbraw/zinc/48/20/13/1332482013.db2.gz ZVKAMCITCVZWSK-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674929 1336006138 /nfs/dbraw/zinc/00/61/38/1336006138.db2.gz WADVDMZNILIWQG-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674929 1336006142 /nfs/dbraw/zinc/00/61/42/1336006142.db2.gz WADVDMZNILIWQG-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681419 1336008515 /nfs/dbraw/zinc/00/85/15/1336008515.db2.gz JJOGTIMIQWGGNJ-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681419 1336008516 /nfs/dbraw/zinc/00/85/16/1336008516.db2.gz JJOGTIMIQWGGNJ-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034480286 1342537931 /nfs/dbraw/zinc/53/79/31/1342537931.db2.gz HHVNOQIOGVVIHE-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034480286 1342537934 /nfs/dbraw/zinc/53/79/34/1342537934.db2.gz HHVNOQIOGVVIHE-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537653 1342594475 /nfs/dbraw/zinc/59/44/75/1342594475.db2.gz NASNUIPROMORLM-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537653 1342594477 /nfs/dbraw/zinc/59/44/77/1342594477.db2.gz NASNUIPROMORLM-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039448076 1345073130 /nfs/dbraw/zinc/07/31/30/1345073130.db2.gz VZRUTIBTKADCNG-AABGKKOBSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039448076 1345073132 /nfs/dbraw/zinc/07/31/32/1345073132.db2.gz VZRUTIBTKADCNG-AABGKKOBSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563660 1347911496 /nfs/dbraw/zinc/91/14/96/1347911496.db2.gz GNNOXOUOLQJFMC-RTBURBONSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563660 1347911498 /nfs/dbraw/zinc/91/14/98/1347911498.db2.gz GNNOXOUOLQJFMC-RTBURBONSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918811 1348112166 /nfs/dbraw/zinc/11/21/66/1348112166.db2.gz MRGKCGNIOGPELK-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918811 1348112168 /nfs/dbraw/zinc/11/21/68/1348112168.db2.gz MRGKCGNIOGPELK-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088653 1348914414 /nfs/dbraw/zinc/91/44/14/1348914414.db2.gz YTPKRGGCTZWFSJ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088653 1348914417 /nfs/dbraw/zinc/91/44/17/1348914417.db2.gz YTPKRGGCTZWFSJ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942352 1359264398 /nfs/dbraw/zinc/26/43/98/1359264398.db2.gz OULLLHVOHYWGJO-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184557441 1387491980 /nfs/dbraw/zinc/49/19/80/1387491980.db2.gz XOOGYTLIGZDUEE-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106279 1363625010 /nfs/dbraw/zinc/62/50/10/1363625010.db2.gz CPFANEPYGQXDDF-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106279 1363625014 /nfs/dbraw/zinc/62/50/14/1363625014.db2.gz CPFANEPYGQXDDF-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251418 1363713883 /nfs/dbraw/zinc/71/38/83/1363713883.db2.gz JRRXIQHPPRREII-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099251418 1363713885 /nfs/dbraw/zinc/71/38/85/1363713885.db2.gz JRRXIQHPPRREII-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099251418 1363713886 /nfs/dbraw/zinc/71/38/86/1363713886.db2.gz JRRXIQHPPRREII-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001102021572 1364813764 /nfs/dbraw/zinc/81/37/64/1364813764.db2.gz SKYUVDMBVZUKHK-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001102021572 1364813766 /nfs/dbraw/zinc/81/37/66/1364813766.db2.gz SKYUVDMBVZUKHK-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001102595637 1365130214 /nfs/dbraw/zinc/13/02/14/1365130214.db2.gz RDFNUFJYKQMHQW-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001102595637 1365130218 /nfs/dbraw/zinc/13/02/18/1365130218.db2.gz RDFNUFJYKQMHQW-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)CCC1 ZINC001105563133 1366532338 /nfs/dbraw/zinc/53/23/38/1366532338.db2.gz FBGWXRWKPLABDK-GOSISDBHSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563196 1366532845 /nfs/dbraw/zinc/53/28/45/1366532845.db2.gz GKUMPVYTVGDVIB-RTBURBONSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568018 1366535805 /nfs/dbraw/zinc/53/58/05/1366535805.db2.gz CZYFMAIJHHAXOK-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703195 1367542956 /nfs/dbraw/zinc/54/29/56/1367542956.db2.gz MIPXOTCTFNUKCZ-OTWHNJEPSA-N 1 3 349.563 3.410 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785454 1367595246 /nfs/dbraw/zinc/59/52/46/1367595246.db2.gz FRRZNGQVSZRDBV-FHWLQOOXSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605756 1387985217 /nfs/dbraw/zinc/98/52/17/1387985217.db2.gz TTZIVGVQRSNVDJ-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605756 1387985221 /nfs/dbraw/zinc/98/52/21/1387985221.db2.gz TTZIVGVQRSNVDJ-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201314564 1369516235 /nfs/dbraw/zinc/51/62/35/1369516235.db2.gz YBZOQGWFMSAJMJ-UHFFFAOYSA-N 1 3 325.541 3.268 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930491 1369929187 /nfs/dbraw/zinc/92/91/87/1369929187.db2.gz VURUIHCTPYDCLK-QZTJIDSGSA-N 1 3 347.547 3.234 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791690 1370266155 /nfs/dbraw/zinc/26/61/55/1370266155.db2.gz KDQHBWQXXWKLNB-QZTJIDSGSA-N 1 3 337.552 3.314 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115572935 1370575156 /nfs/dbraw/zinc/57/51/56/1370575156.db2.gz ABUKLACBCODWTR-LJQANCHMSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579624 1370583587 /nfs/dbraw/zinc/58/35/87/1370583587.db2.gz XKOKDNOJRAJTHQ-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579624 1370583590 /nfs/dbraw/zinc/58/35/90/1370583590.db2.gz XKOKDNOJRAJTHQ-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)CC[C@H]1C[NH3+] ZINC001205617474 1370812742 /nfs/dbraw/zinc/81/27/42/1370812742.db2.gz KENVZLIQEPEHGC-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206302425 1371015942 /nfs/dbraw/zinc/01/59/42/1371015942.db2.gz YNRZJLDGGHKNTL-QGZVFWFLSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001120068737 1371476809 /nfs/dbraw/zinc/47/68/09/1371476809.db2.gz OSQUAFYZVMTFKL-UHFFFAOYSA-N 1 3 346.519 3.416 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246705 1371906845 /nfs/dbraw/zinc/90/68/45/1371906845.db2.gz RKYARCQOPPQFOZ-FCOWATRHSA-N 1 3 347.547 3.090 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209134323 1372010066 /nfs/dbraw/zinc/01/00/66/1372010066.db2.gz NWXVJFWWYFRTOY-HSALFYBXSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209134323 1372010071 /nfs/dbraw/zinc/01/00/71/1372010071.db2.gz NWXVJFWWYFRTOY-HSALFYBXSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118190 1388244473 /nfs/dbraw/zinc/24/44/73/1388244473.db2.gz NCRQGDMJJVRNEB-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892891 1375629295 /nfs/dbraw/zinc/62/92/95/1375629295.db2.gz JXFPARIXNNDHMS-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181936 1375827540 /nfs/dbraw/zinc/82/75/40/1375827540.db2.gz LHQFXAJADMEILK-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274543 1375888945 /nfs/dbraw/zinc/88/89/45/1375888945.db2.gz JUJHPCJGADTCOC-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341146 1375931875 /nfs/dbraw/zinc/93/18/75/1375931875.db2.gz BAADBOYHBVRCNI-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133343482 1375934347 /nfs/dbraw/zinc/93/43/47/1375934347.db2.gz YCOUYZMBMHJZHI-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476616 1377110836 /nfs/dbraw/zinc/11/08/36/1377110836.db2.gz LJGKZLNBBUBUDJ-ROUUACIJSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219481 1382345666 /nfs/dbraw/zinc/34/56/66/1382345666.db2.gz HEKMSDWNUPJKRS-UHFFFAOYSA-N 1 3 335.536 3.069 20 30 EGEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219481 1382345670 /nfs/dbraw/zinc/34/56/70/1382345670.db2.gz HEKMSDWNUPJKRS-UHFFFAOYSA-N 1 3 335.536 3.069 20 30 EGEDHO CC#CCN1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161682981 1382480055 /nfs/dbraw/zinc/48/00/55/1382480055.db2.gz HAOHLIQNZRZWGB-UHFFFAOYSA-N 1 3 347.547 3.050 20 30 EGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(CN(C)C2CC2)cn1 ZINC001163473090 1383059360 /nfs/dbraw/zinc/05/93/60/1383059360.db2.gz KPKRMRUBHZLFPT-UHFFFAOYSA-N 1 3 337.471 3.165 20 30 EGEDHO C=CCCCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687486 1383460645 /nfs/dbraw/zinc/46/06/45/1383460645.db2.gz TYRUMZNXONDKPW-IBGZPJMESA-N 1 3 341.515 3.041 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCN2CCSCC2)cc1 ZINC001167839674 1383756177 /nfs/dbraw/zinc/75/61/77/1383756177.db2.gz QXPDHYDNJAIUEP-LJQANCHMSA-N 1 3 331.529 3.470 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCN2CCSCC2)cc1 ZINC001167839674 1383756178 /nfs/dbraw/zinc/75/61/78/1383756178.db2.gz QXPDHYDNJAIUEP-LJQANCHMSA-N 1 3 331.529 3.470 20 30 EGEDHO COC1CCN(C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC001172312553 1384766847 /nfs/dbraw/zinc/76/68/47/1384766847.db2.gz GTDXWRCLCOJTKX-QGZVFWFLSA-N 1 3 341.499 3.064 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415626 1385948677 /nfs/dbraw/zinc/94/86/77/1385948677.db2.gz GHNAVKGNNFGVAL-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177416209 1385949630 /nfs/dbraw/zinc/94/96/30/1385949630.db2.gz VTUUSOAZXHAPNN-UHFFFAOYSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001752999691 1440263989 /nfs/dbraw/zinc/26/39/89/1440263989.db2.gz GDKJDBZTAMNEJU-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001752999691 1440263990 /nfs/dbraw/zinc/26/39/90/1440263990.db2.gz GDKJDBZTAMNEJU-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001753603122 1440447112 /nfs/dbraw/zinc/44/71/12/1440447112.db2.gz NQMHWQACDZEFSW-UHFFFAOYSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001753603122 1440447113 /nfs/dbraw/zinc/44/71/13/1440447113.db2.gz NQMHWQACDZEFSW-UHFFFAOYSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001754342763 1440588699 /nfs/dbraw/zinc/58/86/99/1440588699.db2.gz YNEMKRLCPYLBMC-MOPGFXCFSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001755175949 1440770753 /nfs/dbraw/zinc/77/07/53/1440770753.db2.gz NVWRDDNVVLSGFQ-IBGZPJMESA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001755187096 1440773415 /nfs/dbraw/zinc/77/34/15/1440773415.db2.gz VGVUACFVXBWWIZ-JOCLIGHLSA-N 1 3 343.515 3.053 20 30 EGEDHO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CN1CCCCC1 ZINC000069783922 454144994 /nfs/dbraw/zinc/14/49/94/454144994.db2.gz YWAXZGDBBPIEHM-GOSISDBHSA-N 1 3 328.504 3.248 20 30 EGEDHO CC(C)N1CCN(CCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000192727373 455679882 /nfs/dbraw/zinc/67/98/82/455679882.db2.gz IMUZBURRVVUAHU-UHFFFAOYSA-N 1 3 342.531 3.185 20 30 EGEDHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000192727373 455679887 /nfs/dbraw/zinc/67/98/87/455679887.db2.gz IMUZBURRVVUAHU-UHFFFAOYSA-N 1 3 342.531 3.185 20 30 EGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(c3ccncc3)CC1)CC2 ZINC000353263805 456596181 /nfs/dbraw/zinc/59/61/81/456596181.db2.gz FYESMPCJQDYUNY-OAQYLSRUSA-N 1 3 332.451 3.447 20 30 EGEDHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000354033032 457022001 /nfs/dbraw/zinc/02/20/01/457022001.db2.gz HHKPTOOQUPLUMM-HDICACEKSA-N 1 3 341.499 3.270 20 30 EGEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314112 457807619 /nfs/dbraw/zinc/80/76/19/457807619.db2.gz YFNBIZLYAXEMHI-HKUYNNGSSA-N 1 3 341.499 3.386 20 30 EGEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314112 457807624 /nfs/dbraw/zinc/80/76/24/457807624.db2.gz YFNBIZLYAXEMHI-HKUYNNGSSA-N 1 3 341.499 3.386 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000358141408 457810966 /nfs/dbraw/zinc/81/09/66/457810966.db2.gz OWRJGFPPNABCMO-WBFXSEPVSA-N 1 3 339.483 3.465 20 30 EGEDHO C=CCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000375507281 457955092 /nfs/dbraw/zinc/95/50/92/457955092.db2.gz OBEMEMAUXYVZHQ-UHFFFAOYSA-N 1 3 330.472 3.320 20 30 EGEDHO C=CCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000375507281 457955094 /nfs/dbraw/zinc/95/50/94/457955094.db2.gz OBEMEMAUXYVZHQ-UHFFFAOYSA-N 1 3 330.472 3.320 20 30 EGEDHO CC(C)N1CCN(C2CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000369334982 458176447 /nfs/dbraw/zinc/17/64/47/458176447.db2.gz NNBZFDQVSBIKAO-UHFFFAOYSA-N 1 3 334.552 3.197 20 30 EGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000453373786 458526076 /nfs/dbraw/zinc/52/60/76/458526076.db2.gz WUXBCMDMHFHGTR-ONUIULTDSA-N 1 3 326.484 3.220 20 30 EGEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000424158662 458574315 /nfs/dbraw/zinc/57/43/15/458574315.db2.gz RQKNEVLNMASHMU-GOSISDBHSA-N 1 3 328.460 3.022 20 30 EGEDHO CCN(CC[NH+]1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000520555207 459071350 /nfs/dbraw/zinc/07/13/50/459071350.db2.gz WUIZTQFMKLEXGW-FQEVSTJZSA-N 1 3 341.499 3.483 20 30 EGEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700522 459998031 /nfs/dbraw/zinc/99/80/31/459998031.db2.gz OLHQHERIDBPCOM-XLIONFOSSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700522 459998039 /nfs/dbraw/zinc/99/80/39/459998039.db2.gz OLHQHERIDBPCOM-XLIONFOSSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807466 460468309 /nfs/dbraw/zinc/46/83/09/460468309.db2.gz MFJULNQREALRON-VGOFRKELSA-N 1 3 349.478 3.333 20 30 EGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000657969051 462332399 /nfs/dbraw/zinc/33/23/99/462332399.db2.gz IMKPJTOXKPYGSJ-UIFIKXQLSA-N 1 3 328.500 3.478 20 30 EGEDHO CCCN1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC1 ZINC000183257052 1295106892 /nfs/dbraw/zinc/10/68/92/1295106892.db2.gz XACICGQVSILYPI-GOSISDBHSA-N 1 3 345.487 3.340 20 30 EGEDHO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311739121 1297110463 /nfs/dbraw/zinc/11/04/63/1297110463.db2.gz AZYYRGUFAMMQDX-HSQYWUDLSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311739121 1297110474 /nfs/dbraw/zinc/11/04/74/1297110474.db2.gz AZYYRGUFAMMQDX-HSQYWUDLSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739121 1297110481 /nfs/dbraw/zinc/11/04/81/1297110481.db2.gz AZYYRGUFAMMQDX-HSQYWUDLSA-N 1 3 349.478 3.092 20 30 EGEDHO N#Cc1ccc([C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000763395159 1301893375 /nfs/dbraw/zinc/89/33/75/1301893375.db2.gz BZFQNKPMOUVWTJ-OAQYLSRUSA-N 1 3 341.499 3.180 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628648 1324479193 /nfs/dbraw/zinc/47/91/93/1324479193.db2.gz SLKPBGTZMLPBEW-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628648 1324479196 /nfs/dbraw/zinc/47/91/96/1324479196.db2.gz SLKPBGTZMLPBEW-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C[C@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162840 1327901050 /nfs/dbraw/zinc/90/10/50/1327901050.db2.gz BACRWKSOQQQEOH-PXNSSMCTSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162840 1327901057 /nfs/dbraw/zinc/90/10/57/1327901057.db2.gz BACRWKSOQQQEOH-PXNSSMCTSA-N 1 3 349.482 3.008 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001033573728 1341879160 /nfs/dbraw/zinc/87/91/60/1341879160.db2.gz IZHJSUSUDDKRNU-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001033573728 1341879162 /nfs/dbraw/zinc/87/91/62/1341879162.db2.gz IZHJSUSUDDKRNU-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039474144 1345089279 /nfs/dbraw/zinc/08/92/79/1345089279.db2.gz SKTFFHZCXVATGR-MOPGFXCFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039474144 1345089281 /nfs/dbraw/zinc/08/92/81/1345089281.db2.gz SKTFFHZCXVATGR-MOPGFXCFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048528207 1347578891 /nfs/dbraw/zinc/57/88/91/1347578891.db2.gz ZTMXQHYHWKHADN-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048528207 1347578892 /nfs/dbraw/zinc/57/88/92/1347578892.db2.gz ZTMXQHYHWKHADN-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526538 1347892975 /nfs/dbraw/zinc/89/29/75/1347892975.db2.gz VQQDXNAVRNXZNO-VAMGGRTRSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526538 1347892977 /nfs/dbraw/zinc/89/29/77/1347892977.db2.gz VQQDXNAVRNXZNO-VAMGGRTRSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837812 1348050513 /nfs/dbraw/zinc/05/05/13/1348050513.db2.gz RUGKZWMPRHJPRM-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837812 1348050514 /nfs/dbraw/zinc/05/05/14/1348050514.db2.gz RUGKZWMPRHJPRM-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699198 1359598829 /nfs/dbraw/zinc/59/88/29/1359598829.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699198 1359598830 /nfs/dbraw/zinc/59/88/30/1359598830.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699198 1359598834 /nfs/dbraw/zinc/59/88/34/1359598834.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699198 1359598836 /nfs/dbraw/zinc/59/88/36/1359598836.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400580 1360400133 /nfs/dbraw/zinc/40/01/33/1360400133.db2.gz JTGSKQNCXWWROR-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400580 1360400135 /nfs/dbraw/zinc/40/01/35/1360400135.db2.gz JTGSKQNCXWWROR-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184413116 1387454145 /nfs/dbraw/zinc/45/41/45/1387454145.db2.gz XSZAHAGOUBVWPY-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457602 1360444764 /nfs/dbraw/zinc/44/47/64/1360444764.db2.gz CEDBEBMQYZZKSF-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457602 1360444765 /nfs/dbraw/zinc/44/47/65/1360444765.db2.gz CEDBEBMQYZZKSF-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493557 1360470888 /nfs/dbraw/zinc/47/08/88/1360470888.db2.gz XUNAKNOKKXWKCB-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493557 1360470889 /nfs/dbraw/zinc/47/08/89/1360470889.db2.gz XUNAKNOKKXWKCB-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493566 1360470991 /nfs/dbraw/zinc/47/09/91/1360470991.db2.gz XUNAKNOKKXWKCB-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493566 1360470993 /nfs/dbraw/zinc/47/09/93/1360470993.db2.gz XUNAKNOKKXWKCB-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639533 1360553420 /nfs/dbraw/zinc/55/34/20/1360553420.db2.gz XGHZUIZSVSUUMA-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639533 1360553421 /nfs/dbraw/zinc/55/34/21/1360553421.db2.gz XGHZUIZSVSUUMA-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733970 1360638146 /nfs/dbraw/zinc/63/81/46/1360638146.db2.gz DPBSNDWCJCRSKM-SFHVURJKSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735491 1360640230 /nfs/dbraw/zinc/64/02/30/1360640230.db2.gz MCYQXNQPYLYQPN-LJQANCHMSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098820093 1363481874 /nfs/dbraw/zinc/48/18/74/1363481874.db2.gz FYLATBUATBHNLG-ICSRJNTNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171573 1387633565 /nfs/dbraw/zinc/63/35/65/1387633565.db2.gz XFTHFDDZFXMSKO-ROUUACIJSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001100848498 1364290021 /nfs/dbraw/zinc/29/00/21/1364290021.db2.gz PIMGQNJARJQCTF-ACBHZAAOSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001100848499 1364290193 /nfs/dbraw/zinc/29/01/93/1364290193.db2.gz PIMGQNJARJQCTF-CTWPCTMYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185315946 1387680676 /nfs/dbraw/zinc/68/06/76/1387680676.db2.gz ALRHYMIHQNPOTD-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400275 1364545133 /nfs/dbraw/zinc/54/51/33/1364545133.db2.gz PDBJIEVKWFRGGS-QUCCMNQESA-N 1 3 337.552 3.079 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400275 1364545138 /nfs/dbraw/zinc/54/51/38/1364545138.db2.gz PDBJIEVKWFRGGS-QUCCMNQESA-N 1 3 337.552 3.079 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087401 1365374235 /nfs/dbraw/zinc/37/42/35/1365374235.db2.gz GHZUTVMJCBBQQC-RLLQIKCJSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087401 1365374237 /nfs/dbraw/zinc/37/42/37/1365374237.db2.gz GHZUTVMJCBBQQC-RLLQIKCJSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185549686 1387745574 /nfs/dbraw/zinc/74/55/74/1387745574.db2.gz RHBIXAAUYZMJBJ-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542396 1365623549 /nfs/dbraw/zinc/62/35/49/1365623549.db2.gz MIXXICMDQYYJEL-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542396 1365623551 /nfs/dbraw/zinc/62/35/51/1365623551.db2.gz MIXXICMDQYYJEL-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750548 1365764073 /nfs/dbraw/zinc/76/40/73/1365764073.db2.gz ASYUZZRDDZADEY-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750548 1365764076 /nfs/dbraw/zinc/76/40/76/1365764076.db2.gz ASYUZZRDDZADEY-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185750954 1387789785 /nfs/dbraw/zinc/78/97/85/1387789785.db2.gz MXIHKGSPFVNZAI-MSOLQXFVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575159 1366540141 /nfs/dbraw/zinc/54/01/41/1366540141.db2.gz SLBMDTWWQUDLEH-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001109399229 1367103714 /nfs/dbraw/zinc/10/37/14/1367103714.db2.gz CMLHJRJBFXLXMV-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001109399229 1367103719 /nfs/dbraw/zinc/10/37/19/1367103719.db2.gz CMLHJRJBFXLXMV-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717233 1367553843 /nfs/dbraw/zinc/55/38/43/1367553843.db2.gz FNZYGSJBTQUFKW-FHWLQOOXSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401401 1368825710 /nfs/dbraw/zinc/82/57/10/1368825710.db2.gz BKJDECYVWKRFOS-LQWHRVPQSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535873 1368918259 /nfs/dbraw/zinc/91/82/59/1368918259.db2.gz DYIPAIKMMFQKJN-PXNSSMCTSA-N 1 3 346.519 3.141 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921056 1370150351 /nfs/dbraw/zinc/15/03/51/1370150351.db2.gz GBFJYJUNULGCGO-ZGXWSNOMSA-N 1 3 347.547 3.042 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921056 1370150354 /nfs/dbraw/zinc/15/03/54/1370150354.db2.gz GBFJYJUNULGCGO-ZGXWSNOMSA-N 1 3 347.547 3.042 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649497 1370200391 /nfs/dbraw/zinc/20/03/91/1370200391.db2.gz BKYDFXZSNDEDGX-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777393 1370760153 /nfs/dbraw/zinc/76/01/53/1370760153.db2.gz XCZWQBSKVGWJKS-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205462419 1370763215 /nfs/dbraw/zinc/76/32/15/1370763215.db2.gz XLGFQSMCNSLYFK-IBGZPJMESA-N 1 3 337.552 3.125 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205462420 1370763671 /nfs/dbraw/zinc/76/36/71/1370763671.db2.gz XLGFQSMCNSLYFK-LJQANCHMSA-N 1 3 337.552 3.125 20 30 EGEDHO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206002899 1370934567 /nfs/dbraw/zinc/93/45/67/1370934567.db2.gz CJWMWDCLRDNBRX-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206653711 1371121820 /nfs/dbraw/zinc/12/18/20/1371121820.db2.gz NQLJSEBRYLEZKB-UHFFFAOYSA-N 1 3 325.541 3.127 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391356 1371557788 /nfs/dbraw/zinc/55/77/88/1371557788.db2.gz ASNQQSHSTLMBCP-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391356 1371557794 /nfs/dbraw/zinc/55/77/94/1371557794.db2.gz ASNQQSHSTLMBCP-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187858120 1388179071 /nfs/dbraw/zinc/17/90/71/1388179071.db2.gz XMZKELYLQXSDKW-XUVXKRRUSA-N 1 3 349.563 3.362 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187858120 1388179075 /nfs/dbraw/zinc/17/90/75/1388179075.db2.gz XMZKELYLQXSDKW-XUVXKRRUSA-N 1 3 349.563 3.362 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256597 1372513517 /nfs/dbraw/zinc/51/35/17/1372513517.db2.gz JRPSLYUTKCLLDD-RTBURBONSA-N 1 3 337.552 3.412 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337539 1375930529 /nfs/dbraw/zinc/93/05/29/1375930529.db2.gz NTJIZJGRGJORRS-PXNSSMCTSA-N 1 3 343.515 3.012 20 30 EGEDHO N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235968625 1376924307 /nfs/dbraw/zinc/92/43/07/1376924307.db2.gz KBIALLVPQDCAHP-NRFANRHFSA-N 1 3 347.462 3.247 20 30 EGEDHO C=CCn1cc(CN2CCC(CC3CC[NH+](CC)CC3)CC2)cn1 ZINC001139771127 1377949320 /nfs/dbraw/zinc/94/93/20/1377949320.db2.gz PBZZQUKMOVQVEC-UHFFFAOYSA-N 1 3 330.520 3.403 20 30 EGEDHO C#CCOc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)cc1OC ZINC001276577370 1378180294 /nfs/dbraw/zinc/18/02/94/1378180294.db2.gz ZTYNEPJZVAZJGL-UHFFFAOYSA-N 1 3 342.483 3.015 20 30 EGEDHO C#CCOc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1OC ZINC001276577370 1378180295 /nfs/dbraw/zinc/18/02/95/1378180295.db2.gz ZTYNEPJZVAZJGL-UHFFFAOYSA-N 1 3 342.483 3.015 20 30 EGEDHO CN(C)C1(CNc2ccc(C#C[Si](C)(C)C)cc2)CC[NH+](C)CC1 ZINC001164213390 1383166530 /nfs/dbraw/zinc/16/65/30/1383166530.db2.gz UOQQPQKDMNFRTA-UHFFFAOYSA-N 1 3 343.591 3.353 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335415 1383875806 /nfs/dbraw/zinc/87/58/06/1383875806.db2.gz IACISLCKOLQXKL-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237461 1384476731 /nfs/dbraw/zinc/47/67/31/1384476731.db2.gz QHFOHISQNXAIEV-GOSISDBHSA-N 1 3 337.552 3.482 20 30 EGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172299856 1384763071 /nfs/dbraw/zinc/76/30/71/1384763071.db2.gz OXFQKOCDYGVLFZ-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO CC1(C#N)CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001173591373 1384983132 /nfs/dbraw/zinc/98/31/32/1384983132.db2.gz GQVNFMRIPAEKMS-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256784 1385231330 /nfs/dbraw/zinc/23/13/30/1385231330.db2.gz OSDNVXGOWMJAJO-OALUTQOASA-N 1 3 337.552 3.482 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC)CC1 ZINC001176738128 1385677107 /nfs/dbraw/zinc/67/71/07/1385677107.db2.gz OWHBTCPMEZZVQB-SFHVURJKSA-N 1 3 349.563 3.032 20 30 EGEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC1 ZINC001180360913 1386774029 /nfs/dbraw/zinc/77/40/29/1386774029.db2.gz PVHBQHREGRXBPO-UHFFFAOYSA-N 1 3 349.563 3.034 20 30 EGEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001734017630 1437807663 /nfs/dbraw/zinc/80/76/63/1437807663.db2.gz SXEZJOXEBDVNFK-UHFFFAOYSA-N 1 3 343.943 3.078 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001754828414 1440693942 /nfs/dbraw/zinc/69/39/42/1440693942.db2.gz KHCZVTBIGMGNRS-PXNSSMCTSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001755850578 1440934845 /nfs/dbraw/zinc/93/48/45/1440934845.db2.gz MPCMRBPSOJVDGC-KRWDZBQOSA-N 1 3 337.552 3.147 20 30 EGEDHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558886 252022282 /nfs/dbraw/zinc/02/22/82/252022282.db2.gz OPZTYVTWDNWBGQ-GOSISDBHSA-N 1 3 327.472 3.276 20 30 EGEDHO CC[NH+]1CCN(c2ccccc2CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000131192630 454239478 /nfs/dbraw/zinc/23/94/78/454239478.db2.gz DXEJEIKQJVGNMD-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO CCN1CCN(c2ccccc2C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000131192630 454239483 /nfs/dbraw/zinc/23/94/83/454239483.db2.gz DXEJEIKQJVGNMD-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO CCN1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000131192630 454239488 /nfs/dbraw/zinc/23/94/88/454239488.db2.gz DXEJEIKQJVGNMD-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO C#CCCOc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748371 454778472 /nfs/dbraw/zinc/77/84/72/454778472.db2.gz KWPFPLSKPZLIJF-UHFFFAOYSA-N 1 3 344.499 3.068 20 30 EGEDHO C#CCCOc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000172116549 455124130 /nfs/dbraw/zinc/12/41/30/455124130.db2.gz XOBPTQHKVQGHGP-OALUTQOASA-N 1 3 344.499 3.068 20 30 EGEDHO C[C@@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185723562 455606605 /nfs/dbraw/zinc/60/66/05/455606605.db2.gz GTVQGYJATZHZBU-AEFFLSMTSA-N 1 3 327.472 3.180 20 30 EGEDHO N#C[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000185786407 455621758 /nfs/dbraw/zinc/62/17/58/455621758.db2.gz NNKHEAOYLLZVOQ-UXHICEINSA-N 1 3 340.515 3.261 20 30 EGEDHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514305 455861201 /nfs/dbraw/zinc/86/12/01/455861201.db2.gz OLAVBFCTTZJQAN-QGZVFWFLSA-N 1 3 345.462 3.415 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292117422 456859736 /nfs/dbraw/zinc/85/97/36/456859736.db2.gz KPTSIXSXVJMUHG-MRXNPFEDSA-N 1 3 329.488 3.080 20 30 EGEDHO N#Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000348813331 456867528 /nfs/dbraw/zinc/86/75/28/456867528.db2.gz SCLPSUBBWSYREC-UHFFFAOYSA-N 1 3 335.451 3.323 20 30 EGEDHO C=C(C)COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000350175987 457168985 /nfs/dbraw/zinc/16/89/85/457168985.db2.gz LAXIKOKDYFKRJE-UHFFFAOYSA-N 1 3 332.488 3.424 20 30 EGEDHO CCC[N@H+](CCN1CCN(CC)CC1)CCC1(C#N)CCCCC1 ZINC000411731716 457966609 /nfs/dbraw/zinc/96/66/09/457966609.db2.gz BWIUPFLQIFVZFJ-UHFFFAOYSA-N 1 3 334.552 3.200 20 30 EGEDHO CCC[N@@H+](CCN1CCN(CC)CC1)CCC1(C#N)CCCCC1 ZINC000411731716 457966616 /nfs/dbraw/zinc/96/66/16/457966616.db2.gz BWIUPFLQIFVZFJ-UHFFFAOYSA-N 1 3 334.552 3.200 20 30 EGEDHO CC1(C#N)CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000594969901 459199510 /nfs/dbraw/zinc/19/95/10/459199510.db2.gz SKRHHKXQHPKEBY-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO CC1(C#N)CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000581409955 459271694 /nfs/dbraw/zinc/27/16/94/459271694.db2.gz JLEROMNDSQQOSN-UHFFFAOYSA-N 1 3 341.499 3.205 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602652128 460045735 /nfs/dbraw/zinc/04/57/35/460045735.db2.gz WIFXPKIVIMTXGW-AZUAARDMSA-N 1 3 341.499 3.197 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652128 460045739 /nfs/dbraw/zinc/04/57/39/460045739.db2.gz WIFXPKIVIMTXGW-AZUAARDMSA-N 1 3 341.499 3.197 20 30 EGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000657868261 462303329 /nfs/dbraw/zinc/30/33/29/462303329.db2.gz MUUQUPDSLSMHRJ-QUCCMNQESA-N 1 3 343.515 3.203 20 30 EGEDHO C#CCOc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000236693134 1296197934 /nfs/dbraw/zinc/19/79/34/1296197934.db2.gz OYAPMUBNARYWEQ-QFIPXVFZSA-N 1 3 348.490 3.353 20 30 EGEDHO C[C@@H]1C[NH+]=C(NCCCN(Cc2ccccc2)Cc2ccccc2)N1 ZINC000390809895 1297633868 /nfs/dbraw/zinc/63/38/68/1297633868.db2.gz RKIBAJVZSPUTIP-GOSISDBHSA-N 1 3 336.483 3.016 20 30 EGEDHO C(#CC[NH2+][C@@H](c1ccncc1)C1CC1)CN[C@@H](c1ccncc1)C1CC1 ZINC000934699832 1330000872 /nfs/dbraw/zinc/00/08/72/1330000872.db2.gz XPIWJTDELKTVKN-FGZHOGPDSA-N 1 3 346.478 3.262 20 30 EGEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016924748 1338771686 /nfs/dbraw/zinc/77/16/86/1338771686.db2.gz YEUHODHEQSXKRD-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045940600 1346776468 /nfs/dbraw/zinc/77/64/68/1346776468.db2.gz BFCRKVDJWAJEBK-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045940600 1346776470 /nfs/dbraw/zinc/77/64/70/1346776470.db2.gz BFCRKVDJWAJEBK-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563659 1347911899 /nfs/dbraw/zinc/91/18/99/1347911899.db2.gz GNNOXOUOLQJFMC-RBUKOAKNSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563659 1347911902 /nfs/dbraw/zinc/91/19/02/1347911902.db2.gz GNNOXOUOLQJFMC-RBUKOAKNSA-N 1 3 347.547 3.281 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049914869 1348109690 /nfs/dbraw/zinc/10/96/90/1348109690.db2.gz RMRFIWSXHDITSX-AQNXPRMDSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049914869 1348109693 /nfs/dbraw/zinc/10/96/93/1348109693.db2.gz RMRFIWSXHDITSX-AQNXPRMDSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052762740 1348667947 /nfs/dbraw/zinc/66/79/47/1348667947.db2.gz BKRJKCPDEVSZAE-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052762740 1348667949 /nfs/dbraw/zinc/66/79/49/1348667949.db2.gz BKRJKCPDEVSZAE-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380558 1360383551 /nfs/dbraw/zinc/38/35/51/1360383551.db2.gz FWTMMINZNKTXEB-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380558 1360383552 /nfs/dbraw/zinc/38/35/52/1360383552.db2.gz FWTMMINZNKTXEB-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184413376 1387454262 /nfs/dbraw/zinc/45/42/62/1387454262.db2.gz YPCHKMCJJZDRTR-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656285 1360567727 /nfs/dbraw/zinc/56/77/27/1360567727.db2.gz FAIGHFOYEWNQMQ-SFHVURJKSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229718 1363703195 /nfs/dbraw/zinc/70/31/95/1363703195.db2.gz MFYXKXYUESRRPX-ZWKOTPCHSA-N 1 3 337.552 3.290 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476527 1364575780 /nfs/dbraw/zinc/57/57/80/1364575780.db2.gz XNYIVKXBKAHGRG-QUCCMNQESA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476527 1364575784 /nfs/dbraw/zinc/57/57/84/1364575784.db2.gz XNYIVKXBKAHGRG-QUCCMNQESA-N 1 3 337.552 3.077 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001101547682 1364611268 /nfs/dbraw/zinc/61/12/68/1364611268.db2.gz LZBZBNPFNLZNEO-UHFFFAOYSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001101547779 1364611826 /nfs/dbraw/zinc/61/18/26/1364611826.db2.gz PEJDLYLSFNVCIT-LJQANCHMSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741354 1387787952 /nfs/dbraw/zinc/78/79/52/1387787952.db2.gz JWILPRWXVNEKSZ-FXAWDEMLSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105560847 1366530707 /nfs/dbraw/zinc/53/07/07/1366530707.db2.gz DIJLYHPTLJTDBH-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575169 1366540004 /nfs/dbraw/zinc/54/00/04/1366540004.db2.gz TTYISIDCNUMISE-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407613 1366954807 /nfs/dbraw/zinc/95/48/07/1366954807.db2.gz CMQKMNGZEBXGPL-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407613 1366954808 /nfs/dbraw/zinc/95/48/08/1366954808.db2.gz CMQKMNGZEBXGPL-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704904 1367544877 /nfs/dbraw/zinc/54/48/77/1367544877.db2.gz UVRMHFOXLNFARW-NSHGMRRFSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780457 1367592452 /nfs/dbraw/zinc/59/24/52/1367592452.db2.gz BPYSXTZRRRHECJ-FHWLQOOXSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275728 1368581777 /nfs/dbraw/zinc/58/17/77/1368581777.db2.gz MTFYICXYGULGKW-WOJBJXKFSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275728 1368581781 /nfs/dbraw/zinc/58/17/81/1368581781.db2.gz MTFYICXYGULGKW-WOJBJXKFSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001115535453 1370532192 /nfs/dbraw/zinc/53/21/92/1370532192.db2.gz WPZKGDYFYVMWDX-GOSISDBHSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCCC1 ZINC001115760823 1370745482 /nfs/dbraw/zinc/74/54/82/1370745482.db2.gz UQMAKXAAXVSCHA-SFHVURJKSA-N 1 3 335.536 3.234 20 30 EGEDHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC001206304689 1371016878 /nfs/dbraw/zinc/01/68/78/1371016878.db2.gz OBLAAVGGRVQYKU-MRXNPFEDSA-N 1 3 336.277 3.272 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001207343425 1371365745 /nfs/dbraw/zinc/36/57/45/1371365745.db2.gz IQTGNJFWMJGWGY-QRVBRYPASA-N 1 3 337.552 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001207343425 1371365751 /nfs/dbraw/zinc/36/57/51/1371365751.db2.gz IQTGNJFWMJGWGY-QRVBRYPASA-N 1 3 337.552 3.268 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120188704 1371502117 /nfs/dbraw/zinc/50/21/17/1371502117.db2.gz CJOUOSOVTOFTCK-UHFFFAOYSA-N 1 3 341.927 3.024 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431468 1371575112 /nfs/dbraw/zinc/57/51/12/1371575112.db2.gz UDWLSXMEPLEYRK-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431468 1371575117 /nfs/dbraw/zinc/57/51/17/1371575117.db2.gz UDWLSXMEPLEYRK-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431471 1371575737 /nfs/dbraw/zinc/57/57/37/1371575737.db2.gz UDWLSXMEPLEYRK-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431471 1371575739 /nfs/dbraw/zinc/57/57/39/1371575739.db2.gz UDWLSXMEPLEYRK-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209423528 1372102870 /nfs/dbraw/zinc/10/28/70/1372102870.db2.gz WLTGXZYFSQWLBB-GOSISDBHSA-N 1 3 336.520 3.472 20 30 EGEDHO C=CCCCCCN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209423528 1372102874 /nfs/dbraw/zinc/10/28/74/1372102874.db2.gz WLTGXZYFSQWLBB-GOSISDBHSA-N 1 3 336.520 3.472 20 30 EGEDHO C=CCN1C(=O)CC[C@]12CCCN(CCC[NH+]1CCCCC1)[C@H]2CC ZINC001209451694 1372108856 /nfs/dbraw/zinc/10/88/56/1372108856.db2.gz NZIQGMGKSGJNLR-FPOVZHCZSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211293176 1372522637 /nfs/dbraw/zinc/52/26/37/1372522637.db2.gz XFUMKVKQZLRSCS-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211293176 1372522638 /nfs/dbraw/zinc/52/26/38/1372522638.db2.gz XFUMKVKQZLRSCS-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCC[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001225551346 1375123169 /nfs/dbraw/zinc/12/31/69/1375123169.db2.gz LMHKCZAAYHRKML-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001229463072 1375840065 /nfs/dbraw/zinc/84/00/65/1375840065.db2.gz XSLXWWGFHHZPBN-IEBWSBKVSA-N 1 3 335.536 3.185 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284602 1375984098 /nfs/dbraw/zinc/98/40/98/1375984098.db2.gz NHSNRWXRHNGOOJ-QZTJIDSGSA-N 1 3 325.541 3.314 20 30 EGEDHO Cc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1C#N ZINC001139723144 1377941525 /nfs/dbraw/zinc/94/15/25/1377941525.db2.gz RUBLFMPAERWCKI-UHFFFAOYSA-N 1 3 341.499 3.191 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146585082 1378870975 /nfs/dbraw/zinc/87/09/75/1378870975.db2.gz WPQJNJMNEJSOJE-IAGOWNOFSA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391927 1382397345 /nfs/dbraw/zinc/39/73/45/1382397345.db2.gz ZGIOKYUJJYEKEO-FQEVSTJZSA-N 1 3 347.547 3.354 20 30 EGEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391927 1382397351 /nfs/dbraw/zinc/39/73/51/1382397351.db2.gz ZGIOKYUJJYEKEO-FQEVSTJZSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952963 1382569717 /nfs/dbraw/zinc/56/97/17/1382569717.db2.gz MYCPOKUKEHDVOL-QUCCMNQESA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952963 1382569729 /nfs/dbraw/zinc/56/97/29/1382569729.db2.gz MYCPOKUKEHDVOL-QUCCMNQESA-N 1 3 347.547 3.354 20 30 EGEDHO CN(C)/C=[NH+]/c1ccc(NCC2CN(Cc3ccccc3)C2)cc1C#N ZINC001165469854 1383299309 /nfs/dbraw/zinc/29/93/09/1383299309.db2.gz SWOKNBRCLCKQLW-LFVJCYFKSA-N 1 3 347.466 3.324 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687265 1383460481 /nfs/dbraw/zinc/46/04/81/1383460481.db2.gz LHGIMGWZBMEAJZ-LJQANCHMSA-N 1 3 343.531 3.265 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509984 1384546592 /nfs/dbraw/zinc/54/65/92/1384546592.db2.gz XKCOBJFTYXZEAB-ZWKOTPCHSA-N 1 3 325.541 3.338 20 30 EGEDHO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC001171980852 1384702117 /nfs/dbraw/zinc/70/21/17/1384702117.db2.gz UDNOQEYDYOFQBG-IBGZPJMESA-N 1 3 334.467 3.486 20 30 EGEDHO N#CCC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001173333617 1384960891 /nfs/dbraw/zinc/96/08/91/1384960891.db2.gz LEEVCCMNOHPOIK-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC)CC1 ZINC001176738126 1385677546 /nfs/dbraw/zinc/67/75/46/1385677546.db2.gz OWHBTCPMEZZVQB-GOSISDBHSA-N 1 3 349.563 3.032 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177317173 1385911451 /nfs/dbraw/zinc/91/14/51/1385911451.db2.gz PDNNAWGTOWDNKP-HXUWFJFHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CC(C)(C)C ZINC001177416223 1385949424 /nfs/dbraw/zinc/94/94/24/1385949424.db2.gz WLGOGESWMWMOEI-UHFFFAOYSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001177488960 1385976611 /nfs/dbraw/zinc/97/66/11/1385976611.db2.gz PKFSTXYBZIYFAC-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)C(C#N)Cc1cccs1 ZINC001177913140 1386081621 /nfs/dbraw/zinc/08/16/21/1386081621.db2.gz YAYQUHHIBIPXLG-QGZVFWFLSA-N 1 3 341.480 3.021 20 30 EGEDHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C(C#N)Cc1cccs1 ZINC001177913140 1386081627 /nfs/dbraw/zinc/08/16/27/1386081627.db2.gz YAYQUHHIBIPXLG-QGZVFWFLSA-N 1 3 341.480 3.021 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179585444 1386523457 /nfs/dbraw/zinc/52/34/57/1386523457.db2.gz HYKGKVUEBJXGEY-IBGZPJMESA-N 1 3 337.552 3.341 20 30 EGEDHO C=CCC[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180356741 1386773061 /nfs/dbraw/zinc/77/30/61/1386773061.db2.gz FWNGQSNVAVWSSR-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001752320398 1440170439 /nfs/dbraw/zinc/17/04/39/1440170439.db2.gz GIUGRUXELPCXDM-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001752320398 1440170440 /nfs/dbraw/zinc/17/04/40/1440170440.db2.gz GIUGRUXELPCXDM-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835103 1440227178 /nfs/dbraw/zinc/22/71/78/1440227178.db2.gz BETFXRHMQGFDHE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835103 1440227179 /nfs/dbraw/zinc/22/71/79/1440227179.db2.gz BETFXRHMQGFDHE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754954191 1440715904 /nfs/dbraw/zinc/71/59/04/1440715904.db2.gz NELNNTXNZJPARP-UHFFFAOYSA-N 1 3 343.515 3.041 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755843373 1440932359 /nfs/dbraw/zinc/93/23/59/1440932359.db2.gz FLNREIGLGGPTOL-DLBZAZTESA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H](C)N3CCCCCC3)CC2)CC1 ZINC001755870237 1440938927 /nfs/dbraw/zinc/93/89/27/1440938927.db2.gz ZDVYHMUDKMSUSX-GOSISDBHSA-N 1 3 347.547 3.188 20 30 EGEDHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000177502638 454871170 /nfs/dbraw/zinc/87/11/70/454871170.db2.gz VSMUXRBUAJRLKU-QZTJIDSGSA-N 1 3 341.499 3.270 20 30 EGEDHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000278760378 455847395 /nfs/dbraw/zinc/84/73/95/455847395.db2.gz OOBOBLZGTSVLJF-XLIONFOSSA-N 1 3 327.472 3.100 20 30 EGEDHO CCCC[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433355451 457818884 /nfs/dbraw/zinc/81/88/84/457818884.db2.gz WDFWQDGYEAJHGJ-SFHVURJKSA-N 1 3 327.472 3.140 20 30 EGEDHO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512612487 458785683 /nfs/dbraw/zinc/78/56/83/458785683.db2.gz OSPUQCRPLYJHJD-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612487 458785693 /nfs/dbraw/zinc/78/56/93/458785693.db2.gz OSPUQCRPLYJHJD-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612487 458785698 /nfs/dbraw/zinc/78/56/98/458785698.db2.gz OSPUQCRPLYJHJD-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000520968299 459106876 /nfs/dbraw/zinc/10/68/76/459106876.db2.gz KYYUPMJVZYHOSX-OAQYLSRUSA-N 1 3 327.516 3.235 20 30 EGEDHO C=CCCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520968299 459106879 /nfs/dbraw/zinc/10/68/79/459106879.db2.gz KYYUPMJVZYHOSX-OAQYLSRUSA-N 1 3 327.516 3.235 20 30 EGEDHO N#CC[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000597174284 459862525 /nfs/dbraw/zinc/86/25/25/459862525.db2.gz OPECJVFHNURYAF-SFHVURJKSA-N 1 3 327.472 3.287 20 30 EGEDHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618743061 460151891 /nfs/dbraw/zinc/15/18/91/460151891.db2.gz VNPJIXVAZSFUHF-OAQYLSRUSA-N 1 3 335.451 3.276 20 30 EGEDHO C=CC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000662721650 461357399 /nfs/dbraw/zinc/35/73/99/461357399.db2.gz SPYJQXHCFXTLHU-LAUBAEHRSA-N 1 3 341.499 3.027 20 30 EGEDHO CN(C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCCCC1 ZINC000262428397 1296630325 /nfs/dbraw/zinc/63/03/25/1296630325.db2.gz BILUWVLLNNBKQA-KRWDZBQOSA-N 1 3 344.503 3.069 20 30 EGEDHO CN(C)C1(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CCOCC1 ZINC000304745603 1296939163 /nfs/dbraw/zinc/93/91/63/1296939163.db2.gz FGPGPECFUGTRLW-UHFFFAOYSA-N 1 3 344.503 3.051 20 30 EGEDHO CC(C)[NH+]1CCC(N2CCN(CCCCC3(C#N)CCC3)CC2)CC1 ZINC000930044456 1328772484 /nfs/dbraw/zinc/77/24/84/1328772484.db2.gz BLSPZKXDDHOBOU-UHFFFAOYSA-N 1 3 346.563 3.341 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)ccc1OC ZINC000817917384 1319460127 /nfs/dbraw/zinc/46/01/27/1319460127.db2.gz FJKMUGQWGMUIRP-IXDOHACOSA-N 1 3 331.460 3.126 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632954 1319752895 /nfs/dbraw/zinc/75/28/95/1319752895.db2.gz SDAAECJBNNAXFJ-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632954 1319752902 /nfs/dbraw/zinc/75/29/02/1319752902.db2.gz SDAAECJBNNAXFJ-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086085 1321025803 /nfs/dbraw/zinc/02/58/03/1321025803.db2.gz KKPJNKRJWDBEEM-HXUWFJFHSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086085 1321025805 /nfs/dbraw/zinc/02/58/05/1321025805.db2.gz KKPJNKRJWDBEEM-HXUWFJFHSA-N 1 3 330.472 3.047 20 30 EGEDHO CC(C)N1CCCC[C@H]1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853643065 1325139535 /nfs/dbraw/zinc/13/95/35/1325139535.db2.gz PEAPEQDOEMUOEY-FQEVSTJZSA-N 1 3 345.487 3.137 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947309561 1333083922 /nfs/dbraw/zinc/08/39/22/1333083922.db2.gz FMAMCBHKJRYHRM-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947309561 1333083925 /nfs/dbraw/zinc/08/39/25/1333083925.db2.gz FMAMCBHKJRYHRM-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214148 1344929996 /nfs/dbraw/zinc/92/99/96/1344929996.db2.gz NSDSZBFKWNXXLA-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214148 1344929997 /nfs/dbraw/zinc/92/99/97/1344929997.db2.gz NSDSZBFKWNXXLA-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253693 1347277940 /nfs/dbraw/zinc/27/79/40/1347277940.db2.gz GXQMNACLUOOTFZ-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049527 1358378711 /nfs/dbraw/zinc/37/87/11/1358378711.db2.gz HPBCSSZSNBDKIK-ZCNNSNEGSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049527 1358378714 /nfs/dbraw/zinc/37/87/14/1358378714.db2.gz HPBCSSZSNBDKIK-ZCNNSNEGSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001088395023 1359870823 /nfs/dbraw/zinc/87/08/23/1359870823.db2.gz VCLCHVGVDWAYCQ-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001088430560 1359898338 /nfs/dbraw/zinc/89/83/38/1359898338.db2.gz SEKVEERMIKQBAK-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106281 1363625536 /nfs/dbraw/zinc/62/55/36/1363625536.db2.gz CPFANEPYGQXDDF-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106281 1363625539 /nfs/dbraw/zinc/62/55/39/1363625539.db2.gz CPFANEPYGQXDDF-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001101574211 1364629180 /nfs/dbraw/zinc/62/91/80/1364629180.db2.gz XINZPEIUOPFVTL-SFHVURJKSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001101597633 1364648366 /nfs/dbraw/zinc/64/83/66/1364648366.db2.gz UPBCSVFVHGBHSQ-UHFFFAOYSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215566 1364938041 /nfs/dbraw/zinc/93/80/41/1364938041.db2.gz SQSQZWMJVGTCGR-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215566 1364938044 /nfs/dbraw/zinc/93/80/44/1364938044.db2.gz SQSQZWMJVGTCGR-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680745 1366129100 /nfs/dbraw/zinc/12/91/00/1366129100.db2.gz WUKUPCVXMUTXEQ-VAMGGRTRSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832443 1366192981 /nfs/dbraw/zinc/19/29/81/1366192981.db2.gz AXOSOXYAPVXWBL-VAMGGRTRSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542057 1366520809 /nfs/dbraw/zinc/52/08/09/1366520809.db2.gz OBYFDYZEUAEEST-LJQANCHMSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105564058 1366533517 /nfs/dbraw/zinc/53/35/17/1366533517.db2.gz VSGRBEXPDVWAEO-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566947 1366535220 /nfs/dbraw/zinc/53/52/20/1366535220.db2.gz ZZTQYCNUBYRISI-GOSISDBHSA-N 1 3 344.503 3.059 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633196 1366761271 /nfs/dbraw/zinc/76/12/71/1366761271.db2.gz CPWQXKMMTKSTST-GUDVDZBRSA-N 1 3 339.568 3.227 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665077 1366768639 /nfs/dbraw/zinc/76/86/39/1366768639.db2.gz HACFKAYGPMJUDX-GUDVDZBRSA-N 1 3 337.552 3.125 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029443 1366860865 /nfs/dbraw/zinc/86/08/65/1366860865.db2.gz VFGGOMQEFJXWFL-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161476 1367534748 /nfs/dbraw/zinc/53/47/48/1367534748.db2.gz GULQVZGEMGJLHY-FYQPLNBISA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161476 1367534751 /nfs/dbraw/zinc/53/47/51/1367534751.db2.gz GULQVZGEMGJLHY-FYQPLNBISA-N 1 3 347.547 3.185 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195816777 1368496503 /nfs/dbraw/zinc/49/65/03/1368496503.db2.gz IMDGCWLKAZXSHT-IBGZPJMESA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001195816777 1368496507 /nfs/dbraw/zinc/49/65/07/1368496507.db2.gz IMDGCWLKAZXSHT-IBGZPJMESA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195816778 1368496612 /nfs/dbraw/zinc/49/66/12/1368496612.db2.gz IMDGCWLKAZXSHT-LJQANCHMSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001195816778 1368496615 /nfs/dbraw/zinc/49/66/15/1368496615.db2.gz IMDGCWLKAZXSHT-LJQANCHMSA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396759 1368805948 /nfs/dbraw/zinc/80/59/48/1368805948.db2.gz NCHFPUNMBQBCSM-VQTJNVASSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396759 1368805955 /nfs/dbraw/zinc/80/59/55/1368805955.db2.gz NCHFPUNMBQBCSM-VQTJNVASSA-N 1 3 347.547 3.284 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507765 1370148754 /nfs/dbraw/zinc/14/87/54/1370148754.db2.gz UYHGICZVRNTYOA-OALUTQOASA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCN(CC[N@H+](CCC)CCCN(C)C)C(=O)OC(C)(C)C ZINC001207204511 1371328919 /nfs/dbraw/zinc/32/89/19/1371328919.db2.gz PTSIUEXJPNLYBK-UHFFFAOYSA-N 1 3 327.513 3.073 20 30 EGEDHO C=CCN(CC[N@@H+](CCC)CCCN(C)C)C(=O)OC(C)(C)C ZINC001207204511 1371328923 /nfs/dbraw/zinc/32/89/23/1371328923.db2.gz PTSIUEXJPNLYBK-UHFFFAOYSA-N 1 3 327.513 3.073 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208373879 1371741697 /nfs/dbraw/zinc/74/16/97/1371741697.db2.gz RJOPLTBLDFYCSK-ROUUACIJSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121325118 1371937132 /nfs/dbraw/zinc/93/71/32/1371937132.db2.gz AAXLQKXKCRFVFI-UEBDJUODSA-N 1 3 335.536 3.088 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001132513250 1375433853 /nfs/dbraw/zinc/43/38/53/1375433853.db2.gz QNFBNDQQVZOZJB-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001132513250 1375433858 /nfs/dbraw/zinc/43/38/58/1375433858.db2.gz QNFBNDQQVZOZJB-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001229215288 1375789030 /nfs/dbraw/zinc/78/90/30/1375789030.db2.gz OUTMCEJYEPNHQQ-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001229463073 1375840177 /nfs/dbraw/zinc/84/01/77/1375840177.db2.gz XSLXWWGFHHZPBN-MJGOQNOKSA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286112 1375984472 /nfs/dbraw/zinc/98/44/72/1375984472.db2.gz ATBYHPQXWPXEFF-GUDVDZBRSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001230348973 1376006103 /nfs/dbraw/zinc/00/61/03/1376006103.db2.gz AGVAXUPLMJHQQK-QGZVFWFLSA-N 1 3 343.515 3.297 20 30 EGEDHO CCN1C[C@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404442 1377879657 /nfs/dbraw/zinc/87/96/57/1377879657.db2.gz HGUFQFUMPFIYCV-PMACEKPBSA-N 1 3 332.451 3.004 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157958477 1381082934 /nfs/dbraw/zinc/08/29/34/1381082934.db2.gz UVFMBWUKUKOADU-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157958477 1381082939 /nfs/dbraw/zinc/08/29/39/1381082939.db2.gz UVFMBWUKUKOADU-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158026920 1381106101 /nfs/dbraw/zinc/10/61/01/1381106101.db2.gz BUSRMHCOXUWRRC-ICSRJNTNSA-N 1 3 335.536 3.223 20 30 EGEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161937674 1382561445 /nfs/dbraw/zinc/56/14/45/1382561445.db2.gz DCNKQDUFXWUCNE-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161937674 1382561450 /nfs/dbraw/zinc/56/14/50/1382561450.db2.gz DCNKQDUFXWUCNE-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO N#Cc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974344 1383783553 /nfs/dbraw/zinc/78/35/53/1383783553.db2.gz XBNZAGLGHULUJG-IHWFROFDSA-N 1 3 339.483 3.322 20 30 EGEDHO N#Cc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974344 1383783557 /nfs/dbraw/zinc/78/35/57/1383783557.db2.gz XBNZAGLGHULUJG-IHWFROFDSA-N 1 3 339.483 3.322 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335783 1383875872 /nfs/dbraw/zinc/87/58/72/1383875872.db2.gz TUSGZJUHYJZQOR-LJQANCHMSA-N 1 3 349.563 3.483 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345325 1383878903 /nfs/dbraw/zinc/87/89/03/1383878903.db2.gz PUAANFHKVNFBOE-UHFFFAOYSA-N 1 3 325.541 3.173 20 30 EGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001171194305 1384465277 /nfs/dbraw/zinc/46/52/77/1384465277.db2.gz JGXZIAKPYKFWEI-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256785 1385231235 /nfs/dbraw/zinc/23/12/35/1385231235.db2.gz OSDNVXGOWMJAJO-RBUKOAKNSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737614 1385676784 /nfs/dbraw/zinc/67/67/84/1385676784.db2.gz LCORWPRNSCLSLH-QGZVFWFLSA-N 1 3 331.504 3.203 20 30 EGEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177401809 1385944114 /nfs/dbraw/zinc/94/41/14/1385944114.db2.gz BTDKIHXRAFJXNL-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=CCC[NH2+]CCCCCCNC(=O)CN(C)CCCCCC ZINC001179838764 1386602777 /nfs/dbraw/zinc/60/27/77/1386602777.db2.gz ORNAQVLOEVUBDC-UHFFFAOYSA-N 1 3 325.541 3.341 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001353535797 1392034875 /nfs/dbraw/zinc/03/48/75/1392034875.db2.gz WCYKKQPOLUTXTN-FQEVSTJZSA-N 1 3 343.515 3.041 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001353535797 1392034877 /nfs/dbraw/zinc/03/48/77/1392034877.db2.gz WCYKKQPOLUTXTN-FQEVSTJZSA-N 1 3 343.515 3.041 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732396704 1428563771 /nfs/dbraw/zinc/56/37/71/1428563771.db2.gz LYHXBMBPVXYSHA-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001752542619 1440194725 /nfs/dbraw/zinc/19/47/25/1440194725.db2.gz NYXPDFDRGIUFLA-LWYYNNOASA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752542619 1440194726 /nfs/dbraw/zinc/19/47/26/1440194726.db2.gz NYXPDFDRGIUFLA-LWYYNNOASA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001753365317 1440384861 /nfs/dbraw/zinc/38/48/61/1440384861.db2.gz BWUUGHIOROWYLJ-UHFFFAOYSA-N 1 3 337.552 3.101 20 30 EGEDHO C=CCCC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001753365317 1440384862 /nfs/dbraw/zinc/38/48/62/1440384862.db2.gz BWUUGHIOROWYLJ-UHFFFAOYSA-N 1 3 337.552 3.101 20 30 EGEDHO C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001753587296 1440441669 /nfs/dbraw/zinc/44/16/69/1440441669.db2.gz BMNRAWXNSDWFQD-MXVIHJGJSA-N 1 3 343.515 3.345 20 30 EGEDHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001755211720 1440783288 /nfs/dbraw/zinc/78/32/88/1440783288.db2.gz UVIBHVQQNCQCSY-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001755211720 1440783289 /nfs/dbraw/zinc/78/32/89/1440783289.db2.gz UVIBHVQQNCQCSY-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755411320 1440846478 /nfs/dbraw/zinc/84/64/78/1440846478.db2.gz BTSIFKYAVPJJOY-GOSISDBHSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755411320 1440846479 /nfs/dbraw/zinc/84/64/79/1440846479.db2.gz BTSIFKYAVPJJOY-GOSISDBHSA-N 1 3 347.547 3.188 20 30 EGEDHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000449733263 270052614 /nfs/dbraw/zinc/05/26/14/270052614.db2.gz GVYCADVFTXRIMV-UHFFFAOYSA-N 1 3 341.430 3.318 20 30 EGEDHO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCCCC1 ZINC000285954163 267163172 /nfs/dbraw/zinc/16/31/72/267163172.db2.gz GJBYICRIOHSHNR-GOSISDBHSA-N 1 3 340.515 3.239 20 30 EGEDHO C=CCC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000121556031 454452121 /nfs/dbraw/zinc/45/21/21/454452121.db2.gz LZKSKIMQCJJFJQ-OAQYLSRUSA-N 1 3 328.500 3.478 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249572 455471818 /nfs/dbraw/zinc/47/18/18/455471818.db2.gz CWTDPCGKCOMKRH-HTAPYJJXSA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249572 455471823 /nfs/dbraw/zinc/47/18/23/455471823.db2.gz CWTDPCGKCOMKRH-HTAPYJJXSA-N 1 3 349.478 3.366 20 30 EGEDHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514303 455861305 /nfs/dbraw/zinc/86/13/05/455861305.db2.gz OLAVBFCTTZJQAN-KRWDZBQOSA-N 1 3 345.462 3.415 20 30 EGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414319766 458317675 /nfs/dbraw/zinc/31/76/75/458317675.db2.gz ALRZXLYFLYITDT-IAGOWNOFSA-N 1 3 343.515 3.074 20 30 EGEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000423336832 458430708 /nfs/dbraw/zinc/43/07/08/458430708.db2.gz JVOLUVNKJIKKDL-QFBILLFUSA-N 1 3 329.488 3.135 20 30 EGEDHO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OCCN(C)C)cc1 ZINC000467434481 458974636 /nfs/dbraw/zinc/97/46/36/458974636.db2.gz OBISOXWHWJFZFN-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000442718313 459025315 /nfs/dbraw/zinc/02/53/15/459025315.db2.gz LGDSOEJQNBUENF-WMZOPIPTSA-N 1 3 345.487 3.198 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000611392617 460353880 /nfs/dbraw/zinc/35/38/80/460353880.db2.gz YZAIDWIIXCYCEU-CBGDNZLLSA-N 1 3 341.499 3.415 20 30 EGEDHO C=CCOc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543937 461758953 /nfs/dbraw/zinc/75/89/53/461758953.db2.gz UQWBHVLKYKXYDC-MOPGFXCFSA-N 1 3 344.499 3.472 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280237320 547371857 /nfs/dbraw/zinc/37/18/57/547371857.db2.gz VTAFDKGGNWCROA-SFHVURJKSA-N 1 3 330.472 3.321 20 30 EGEDHO C[C@@H]1CCCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104168261 1293018128 /nfs/dbraw/zinc/01/81/28/1293018128.db2.gz QMCZIRMPGJSGSR-GFCCVEGCSA-N 1 3 344.381 3.044 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000246425244 1296352810 /nfs/dbraw/zinc/35/28/10/1296352810.db2.gz NLWPISZNHDVSAF-KBAYOESNSA-N 1 3 345.487 3.196 20 30 EGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471268 1303120077 /nfs/dbraw/zinc/12/00/77/1303120077.db2.gz RQBBJLGVBINOTD-PXNSSMCTSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471268 1303120084 /nfs/dbraw/zinc/12/00/84/1303120084.db2.gz RQBBJLGVBINOTD-PXNSSMCTSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)ccc1OC ZINC000817917377 1319459618 /nfs/dbraw/zinc/45/96/18/1319459618.db2.gz FJKMUGQWGMUIRP-BRWVUGGUSA-N 1 3 331.460 3.126 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696334 1319821243 /nfs/dbraw/zinc/82/12/43/1319821243.db2.gz KTXAOQNHWYJVQJ-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696334 1319821251 /nfs/dbraw/zinc/82/12/51/1319821251.db2.gz KTXAOQNHWYJVQJ-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440683 1323401683 /nfs/dbraw/zinc/40/16/83/1323401683.db2.gz RHWXKRHJNVPNIB-UYAOXDASSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440683 1323401684 /nfs/dbraw/zinc/40/16/84/1323401684.db2.gz RHWXKRHJNVPNIB-UYAOXDASSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630676 1324483420 /nfs/dbraw/zinc/48/34/20/1324483420.db2.gz UUVBCWSSNMQKBE-ZWKOTPCHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630676 1324483424 /nfs/dbraw/zinc/48/34/24/1324483424.db2.gz UUVBCWSSNMQKBE-ZWKOTPCHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031333 1332482001 /nfs/dbraw/zinc/48/20/01/1332482001.db2.gz ZVKAMCITCVZWSK-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031333 1332482004 /nfs/dbraw/zinc/48/20/04/1332482004.db2.gz ZVKAMCITCVZWSK-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372276 1333498864 /nfs/dbraw/zinc/49/88/64/1333498864.db2.gz BALKWSQJIGIQSU-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372276 1333498868 /nfs/dbraw/zinc/49/88/68/1333498868.db2.gz BALKWSQJIGIQSU-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002617 1336115724 /nfs/dbraw/zinc/11/57/24/1336115724.db2.gz YQNPITSHMAOLAJ-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002617 1336115727 /nfs/dbraw/zinc/11/57/27/1336115727.db2.gz YQNPITSHMAOLAJ-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473719 1345088616 /nfs/dbraw/zinc/08/86/16/1345088616.db2.gz ZHMVUVOTWJAFRN-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473719 1345088618 /nfs/dbraw/zinc/08/86/18/1345088618.db2.gz ZHMVUVOTWJAFRN-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938170 1346774153 /nfs/dbraw/zinc/77/41/53/1346774153.db2.gz TYYBOIRUXSYDQF-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938170 1346774155 /nfs/dbraw/zinc/77/41/55/1346774155.db2.gz TYYBOIRUXSYDQF-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047242818 1347268749 /nfs/dbraw/zinc/26/87/49/1347268749.db2.gz GXQMNACLUOOTFZ-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047242820 1347268804 /nfs/dbraw/zinc/26/88/04/1347268804.db2.gz GXQMNACLUOOTFZ-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047257606 1347280714 /nfs/dbraw/zinc/28/07/14/1347280714.db2.gz RRBIKKODOPOAKC-UXHICEINSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572437 1347599229 /nfs/dbraw/zinc/59/92/29/1347599229.db2.gz HXRWIWPICMCVPC-YRPNKDGESA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572437 1347599231 /nfs/dbraw/zinc/59/92/31/1347599231.db2.gz HXRWIWPICMCVPC-YRPNKDGESA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386459 1360387542 /nfs/dbraw/zinc/38/75/42/1360387542.db2.gz PPSJUGNBGAHCSH-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386459 1360387546 /nfs/dbraw/zinc/38/75/46/1360387546.db2.gz PPSJUGNBGAHCSH-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536690 1360495967 /nfs/dbraw/zinc/49/59/67/1360495967.db2.gz FJGXVENMXIMNGP-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536690 1360495970 /nfs/dbraw/zinc/49/59/70/1360495970.db2.gz FJGXVENMXIMNGP-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649500 1360563131 /nfs/dbraw/zinc/56/31/31/1360563131.db2.gz KLCGBSIFZWVUGJ-MOPGFXCFSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649500 1360563134 /nfs/dbraw/zinc/56/31/34/1360563134.db2.gz KLCGBSIFZWVUGJ-MOPGFXCFSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099153975 1363660203 /nfs/dbraw/zinc/66/02/03/1363660203.db2.gz RJRHMYCCMNCDJM-RBUKOAKNSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099153975 1363660206 /nfs/dbraw/zinc/66/02/06/1363660206.db2.gz RJRHMYCCMNCDJM-RBUKOAKNSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375309 1365029438 /nfs/dbraw/zinc/02/94/38/1365029438.db2.gz BRQHVQRVGBYMNV-KZNAEPCWSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375309 1365029442 /nfs/dbraw/zinc/02/94/42/1365029442.db2.gz BRQHVQRVGBYMNV-KZNAEPCWSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683932 1366130497 /nfs/dbraw/zinc/13/04/97/1366130497.db2.gz VNFYSFRSNKGXCW-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544718 1366521494 /nfs/dbraw/zinc/52/14/94/1366521494.db2.gz RHYUSTCVSIFSRO-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568065 1366536307 /nfs/dbraw/zinc/53/63/07/1366536307.db2.gz DXFVWJISTFBYFQ-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688394 1367282999 /nfs/dbraw/zinc/28/29/99/1367282999.db2.gz MSOSSBBRGCIJQP-YDZRNGNQSA-N 1 3 337.552 3.265 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688394 1367283002 /nfs/dbraw/zinc/28/30/02/1367283002.db2.gz MSOSSBBRGCIJQP-YDZRNGNQSA-N 1 3 337.552 3.265 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110154001 1367527579 /nfs/dbraw/zinc/52/75/79/1367527579.db2.gz XEXCXHLEGXMGGW-HOJAQTOUSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110154001 1367527583 /nfs/dbraw/zinc/52/75/83/1367527583.db2.gz XEXCXHLEGXMGGW-HOJAQTOUSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161475 1367534926 /nfs/dbraw/zinc/53/49/26/1367534926.db2.gz GULQVZGEMGJLHY-FUMNGEBKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161475 1367534928 /nfs/dbraw/zinc/53/49/28/1367534928.db2.gz GULQVZGEMGJLHY-FUMNGEBKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780731 1367592769 /nfs/dbraw/zinc/59/27/69/1367592769.db2.gz KVJOHFREFKKFML-UFYCRDLUSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108781593 1367593439 /nfs/dbraw/zinc/59/34/39/1367593439.db2.gz YQLDNFBEQOXXSW-OTWHNJEPSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111463264 1368311859 /nfs/dbraw/zinc/31/18/59/1368311859.db2.gz HDNQPRHCUKYGGA-YSTOQKLRSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111463264 1368311863 /nfs/dbraw/zinc/31/18/63/1368311863.db2.gz HDNQPRHCUKYGGA-YSTOQKLRSA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354289 1368786487 /nfs/dbraw/zinc/78/64/87/1368786487.db2.gz CIMDELNJWVMMAO-RXVVDRJESA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112586070 1368937828 /nfs/dbraw/zinc/93/78/28/1368937828.db2.gz FXNFMNYFTUWMMB-ZVDOUQERSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507764 1370149128 /nfs/dbraw/zinc/14/91/28/1370149128.db2.gz UYHGICZVRNTYOA-MOPGFXCFSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCCC1 ZINC001115759404 1370742926 /nfs/dbraw/zinc/74/29/26/1370742926.db2.gz CGMBMNDPQIMPIA-SFHVURJKSA-N 1 3 335.536 3.234 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205995472 1370933348 /nfs/dbraw/zinc/93/33/48/1370933348.db2.gz OILSHKWXQQYXHI-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCN1C(=O)CCC[C@@]12CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185076 1371626546 /nfs/dbraw/zinc/62/65/46/1371626546.db2.gz IYZMNNOBWVSOSG-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844718 1373349846 /nfs/dbraw/zinc/34/98/46/1373349846.db2.gz JBDQETYVYIWRSV-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[C@@H](C=C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165059 1375400831 /nfs/dbraw/zinc/40/08/31/1375400831.db2.gz OYWHJTQMAABFNI-HXUWFJFHSA-N 1 3 345.531 3.381 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337134 1375930023 /nfs/dbraw/zinc/93/00/23/1375930023.db2.gz JFXKADZYKPEVJS-FXAWDEMLSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346742 1375934893 /nfs/dbraw/zinc/93/48/93/1375934893.db2.gz ONUZNEDQRQJOKQ-MOPGFXCFSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135690245 1377184282 /nfs/dbraw/zinc/18/42/82/1377184282.db2.gz GJKHGXWZJBXVDP-ZWKOTPCHSA-N 1 3 325.541 3.338 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146585083 1378870670 /nfs/dbraw/zinc/87/06/70/1378870670.db2.gz WPQJNJMNEJSOJE-IRXDYDNUSA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148833999 1379279570 /nfs/dbraw/zinc/27/95/70/1379279570.db2.gz QDPJUZPZSCJJCH-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148833999 1379279574 /nfs/dbraw/zinc/27/95/74/1379279574.db2.gz QDPJUZPZSCJJCH-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913993 1381460935 /nfs/dbraw/zinc/46/09/35/1381460935.db2.gz IVQPVMBGRGPJOM-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913993 1381460937 /nfs/dbraw/zinc/46/09/37/1381460937.db2.gz IVQPVMBGRGPJOM-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO CN(C)/C=N/c1ccc(NCc2cccc(C[NH+](C)C)c2)cc1C#N ZINC001163999473 1383144729 /nfs/dbraw/zinc/14/47/29/1383144729.db2.gz YNVKBILINGORMZ-HZHRSRAPSA-N 1 3 335.455 3.453 20 30 EGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128271 1384736215 /nfs/dbraw/zinc/73/62/15/1384736215.db2.gz QPOQCEVWXYXOTE-NMLBUPMWSA-N 1 3 339.483 3.417 20 30 EGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128271 1384736218 /nfs/dbraw/zinc/73/62/18/1384736218.db2.gz QPOQCEVWXYXOTE-NMLBUPMWSA-N 1 3 339.483 3.417 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317930193 1385571760 /nfs/dbraw/zinc/57/17/60/1385571760.db2.gz GIUGRUXELPCXDM-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317930193 1385571761 /nfs/dbraw/zinc/57/17/61/1385571761.db2.gz GIUGRUXELPCXDM-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431161 1385953470 /nfs/dbraw/zinc/95/34/70/1385953470.db2.gz NBIZLPAHCVCNOG-KRWDZBQOSA-N 1 3 346.519 3.305 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431162 1385953929 /nfs/dbraw/zinc/95/39/29/1385953929.db2.gz NBIZLPAHCVCNOG-QGZVFWFLSA-N 1 3 346.519 3.305 20 30 EGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592531 1386526307 /nfs/dbraw/zinc/52/63/07/1386526307.db2.gz FWFTZXYDHSYQTL-UHFFFAOYSA-N 1 3 325.541 3.197 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800888 1387057060 /nfs/dbraw/zinc/05/70/60/1387057060.db2.gz FYWBLDSGOJXODI-DOADOZAASA-N 1 3 337.552 3.002 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516325 1387181228 /nfs/dbraw/zinc/18/12/28/1387181228.db2.gz FYWBLDSGOJXODI-SOAMZJECSA-N 1 3 337.552 3.002 20 30 EGEDHO C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001752852470 1440233886 /nfs/dbraw/zinc/23/38/86/1440233886.db2.gz JVVUBXXVVCQUCX-LMDPOFIKSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754557365 1440632394 /nfs/dbraw/zinc/63/23/94/1440632394.db2.gz GREFWXCQFRUCRI-OAQYLSRUSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754557365 1440632395 /nfs/dbraw/zinc/63/23/95/1440632395.db2.gz GREFWXCQFRUCRI-OAQYLSRUSA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754568630 1440636534 /nfs/dbraw/zinc/63/65/34/1440636534.db2.gz GFHFDXRFSOBSHV-HXUWFJFHSA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754568630 1440636535 /nfs/dbraw/zinc/63/65/35/1440636535.db2.gz GFHFDXRFSOBSHV-HXUWFJFHSA-N 1 3 337.552 3.221 20 30 EGEDHO C=CCCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001755821484 1440925790 /nfs/dbraw/zinc/92/57/90/1440925790.db2.gz FXKLLBKGDIMROV-QGZVFWFLSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001755833247 1440929258 /nfs/dbraw/zinc/92/92/58/1440929258.db2.gz XXZCODHWJBRZRO-INIZCTEOSA-N 1 3 325.541 3.051 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433175 163005545 /nfs/dbraw/zinc/00/55/45/163005545.db2.gz CWTDPCGKCOMKRH-VGSWGCGISA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433175 163005546 /nfs/dbraw/zinc/00/55/46/163005546.db2.gz CWTDPCGKCOMKRH-VGSWGCGISA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246396367 279595617 /nfs/dbraw/zinc/59/56/17/279595617.db2.gz OTRVKWYMIJPGOA-KZNAEPCWSA-N 1 3 341.499 3.440 20 30 EGEDHO CN1CC=C(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000271832313 455779381 /nfs/dbraw/zinc/77/93/81/455779381.db2.gz RAIPUVWOHGXTNH-UHFFFAOYSA-N 1 3 336.439 3.467 20 30 EGEDHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccc(C#N)c1 ZINC000271867028 455792974 /nfs/dbraw/zinc/79/29/74/455792974.db2.gz LTPHELUTBSYFCB-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278791616 455848111 /nfs/dbraw/zinc/84/81/11/455848111.db2.gz QLPKJGBHCDYPOK-ZWOKBUDYSA-N 1 3 329.488 3.488 20 30 EGEDHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278886587 455851622 /nfs/dbraw/zinc/85/16/22/455851622.db2.gz YHPJCVACYNEIHK-IBGZPJMESA-N 1 3 338.455 3.135 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000280793651 456053963 /nfs/dbraw/zinc/05/39/63/456053963.db2.gz JVCHOBAKHBCXHK-HQRMLTQVSA-N 1 3 332.488 3.259 20 30 EGEDHO C=CCN1CCC(Nc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000298249549 456403691 /nfs/dbraw/zinc/40/36/91/456403691.db2.gz MVCRRBCEMMJYCL-UHFFFAOYSA-N 1 3 327.428 3.314 20 30 EGEDHO CN(c1ccccc1CNCC1(CC#N)CC1)C1CC[NH+](C)CC1 ZINC000370520517 457665339 /nfs/dbraw/zinc/66/53/39/457665339.db2.gz XWURPVAXXGQHMI-UHFFFAOYSA-N 1 3 326.488 3.000 20 30 EGEDHO CN(C(=O)C(C#N)CCc1ccccc1)C(C)(C)C[NH+]1CCCC1 ZINC000416335314 458342497 /nfs/dbraw/zinc/34/24/97/458342497.db2.gz UUDLSTFJVCMHHU-SFHVURJKSA-N 1 3 327.472 3.092 20 30 EGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422997637 458429475 /nfs/dbraw/zinc/42/94/75/458429475.db2.gz VCJMTHAEOPPJJN-IPMKNSEASA-N 1 3 329.513 3.302 20 30 EGEDHO C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000422988252 458429618 /nfs/dbraw/zinc/42/96/18/458429618.db2.gz KBSPAGPZOGPXCJ-GWFLUQINSA-N 1 3 327.472 3.368 20 30 EGEDHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423562938 458458013 /nfs/dbraw/zinc/45/80/13/458458013.db2.gz KKMAZDORZVIKCP-GOSISDBHSA-N 1 3 348.494 3.202 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512617773 458787605 /nfs/dbraw/zinc/78/76/05/458787605.db2.gz GRXHBZJGMFUGDM-DOIPELPJSA-N 1 3 328.500 3.061 20 30 EGEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598713306 460003641 /nfs/dbraw/zinc/00/36/41/460003641.db2.gz ANYYKEHIRNCMSD-FXAWDEMLSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598713306 460003647 /nfs/dbraw/zinc/00/36/47/460003647.db2.gz ANYYKEHIRNCMSD-FXAWDEMLSA-N 1 3 343.515 3.309 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000598721185 460006012 /nfs/dbraw/zinc/00/60/12/460006012.db2.gz SWQQYZQSJWGNNM-HXUWFJFHSA-N 1 3 343.515 3.453 20 30 EGEDHO CC1CC[NH+](Cc2cccc(CNC[C@@H](O)CC(C)(C)C#N)c2)CC1 ZINC000598720171 460006460 /nfs/dbraw/zinc/00/64/60/460006460.db2.gz LBQKWLXMFAGKFQ-FQEVSTJZSA-N 1 3 343.515 3.309 20 30 EGEDHO C=CCc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1O ZINC000656783870 461894139 /nfs/dbraw/zinc/89/41/39/461894139.db2.gz AXNGLRHXDYOCOJ-LJQANCHMSA-N 1 3 344.499 3.341 20 30 EGEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924694924 1323116336 /nfs/dbraw/zinc/11/63/36/1323116336.db2.gz OYRQAHZXDYKSAE-GOSISDBHSA-N 1 3 342.531 3.242 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523883 1323470921 /nfs/dbraw/zinc/47/09/21/1323470921.db2.gz RLVCRQDHWMEXGU-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523883 1323470936 /nfs/dbraw/zinc/47/09/36/1323470936.db2.gz RLVCRQDHWMEXGU-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814193 1323717778 /nfs/dbraw/zinc/71/77/78/1323717778.db2.gz PEYMYXALRTUPCD-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814193 1323717784 /nfs/dbraw/zinc/71/77/84/1323717784.db2.gz PEYMYXALRTUPCD-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624072 1324474325 /nfs/dbraw/zinc/47/43/25/1324474325.db2.gz AYJJAXCJPWEOQH-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624072 1324474329 /nfs/dbraw/zinc/47/43/29/1324474329.db2.gz AYJJAXCJPWEOQH-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306352 1325087912 /nfs/dbraw/zinc/08/79/12/1325087912.db2.gz NXXGLWGYRXIFNW-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306352 1325087916 /nfs/dbraw/zinc/08/79/16/1325087916.db2.gz NXXGLWGYRXIFNW-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829293 1333701264 /nfs/dbraw/zinc/70/12/64/1333701264.db2.gz JEBWMZOFICGJTD-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829293 1333701266 /nfs/dbraw/zinc/70/12/66/1333701266.db2.gz JEBWMZOFICGJTD-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC000970719499 1336335622 /nfs/dbraw/zinc/33/56/22/1336335622.db2.gz RZWIPMZNMJSLTP-PKOBYXMFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016862321 1338751343 /nfs/dbraw/zinc/75/13/43/1338751343.db2.gz WCVQHPZXKZYWLH-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476983 1347867996 /nfs/dbraw/zinc/86/79/96/1347867996.db2.gz DXPCNSRMIOOWFS-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476983 1347868000 /nfs/dbraw/zinc/86/80/00/1347868000.db2.gz DXPCNSRMIOOWFS-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141746 1349153607 /nfs/dbraw/zinc/15/36/07/1349153607.db2.gz ORDPGCSHGPTUQF-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141746 1349153608 /nfs/dbraw/zinc/15/36/08/1349153608.db2.gz ORDPGCSHGPTUQF-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174710 1349176195 /nfs/dbraw/zinc/17/61/95/1349176195.db2.gz YNDKTWAUOBKZCP-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174710 1349176196 /nfs/dbraw/zinc/17/61/96/1349176196.db2.gz YNDKTWAUOBKZCP-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095509 1355126455 /nfs/dbraw/zinc/12/64/55/1355126455.db2.gz JNFUCSJJNPNTMB-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095509 1355126458 /nfs/dbraw/zinc/12/64/58/1355126458.db2.gz JNFUCSJJNPNTMB-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927140 1359252161 /nfs/dbraw/zinc/25/21/61/1359252161.db2.gz TWPKLCXTZGDTGG-GOSISDBHSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602419 1359550857 /nfs/dbraw/zinc/55/08/57/1359550857.db2.gz OQCRVKUAHXFPPN-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602419 1359550860 /nfs/dbraw/zinc/55/08/60/1359550860.db2.gz OQCRVKUAHXFPPN-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699529 1359598572 /nfs/dbraw/zinc/59/85/72/1359598572.db2.gz ZYDZAXRIJCMJDX-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699529 1359598575 /nfs/dbraw/zinc/59/85/75/1359598575.db2.gz ZYDZAXRIJCMJDX-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380556 1360383128 /nfs/dbraw/zinc/38/31/28/1360383128.db2.gz FWTMMINZNKTXEB-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380556 1360383131 /nfs/dbraw/zinc/38/31/31/1360383131.db2.gz FWTMMINZNKTXEB-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184413115 1387454201 /nfs/dbraw/zinc/45/42/01/1387454201.db2.gz XSZAHAGOUBVWPY-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509547 1360481029 /nfs/dbraw/zinc/48/10/29/1360481029.db2.gz JEFWDHYGRHIXRS-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509547 1360481030 /nfs/dbraw/zinc/48/10/30/1360481030.db2.gz JEFWDHYGRHIXRS-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510609 1360482049 /nfs/dbraw/zinc/48/20/49/1360482049.db2.gz YVCWDRSGSWESRY-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510609 1360482051 /nfs/dbraw/zinc/48/20/51/1360482051.db2.gz YVCWDRSGSWESRY-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565741 1360512340 /nfs/dbraw/zinc/51/23/40/1360512340.db2.gz YPBFEAVEXYTPQQ-GOSISDBHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565741 1360512342 /nfs/dbraw/zinc/51/23/42/1360512342.db2.gz YPBFEAVEXYTPQQ-GOSISDBHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001099069220 1363606113 /nfs/dbraw/zinc/60/61/13/1363606113.db2.gz CIGMSJIEAUMKLO-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001099069220 1363606116 /nfs/dbraw/zinc/60/61/16/1363606116.db2.gz CIGMSJIEAUMKLO-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268810 1364492704 /nfs/dbraw/zinc/49/27/04/1364492704.db2.gz XFGBOMIRKYMZPN-NQIIRXRSSA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268810 1364492706 /nfs/dbraw/zinc/49/27/06/1364492706.db2.gz XFGBOMIRKYMZPN-NQIIRXRSSA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357291 1387691210 /nfs/dbraw/zinc/69/12/10/1387691210.db2.gz BYJQEEYEQWJEAV-RBUKOAKNSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436447 1365559023 /nfs/dbraw/zinc/55/90/23/1365559023.db2.gz YRNDPNMDCVPLIB-VAMGGRTRSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436447 1365559024 /nfs/dbraw/zinc/55/90/24/1365559024.db2.gz YRNDPNMDCVPLIB-VAMGGRTRSA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185750958 1387789493 /nfs/dbraw/zinc/78/94/93/1387789493.db2.gz MXIHKGSPFVNZAI-ROUUACIJSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256076 1366635295 /nfs/dbraw/zinc/63/52/95/1366635295.db2.gz WRJAICRIHXEORY-QZTJIDSGSA-N 1 3 337.552 3.125 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554590 1367039598 /nfs/dbraw/zinc/03/95/98/1367039598.db2.gz DQEAXQPFBBXJDU-QKNQBKEWSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554590 1367039604 /nfs/dbraw/zinc/03/96/04/1367039604.db2.gz DQEAXQPFBBXJDU-QKNQBKEWSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186081909 1387862630 /nfs/dbraw/zinc/86/26/30/1387862630.db2.gz DWNWZLVLHYORCG-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905304 1367900914 /nfs/dbraw/zinc/90/09/14/1367900914.db2.gz DOFMUGXFPLCILA-RTBURBONSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905304 1367900917 /nfs/dbraw/zinc/90/09/17/1367900917.db2.gz DOFMUGXFPLCILA-RTBURBONSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266767 1368219704 /nfs/dbraw/zinc/21/97/04/1368219704.db2.gz ZYAXHTBLCVDVLD-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266767 1368219709 /nfs/dbraw/zinc/21/97/09/1368219709.db2.gz ZYAXHTBLCVDVLD-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111868895 1368516564 /nfs/dbraw/zinc/51/65/64/1368516564.db2.gz PZHYCZKSSJLPCF-BJLQDIEVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111868895 1368516568 /nfs/dbraw/zinc/51/65/68/1368516568.db2.gz PZHYCZKSSJLPCF-BJLQDIEVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196718150 1368669106 /nfs/dbraw/zinc/66/91/06/1368669106.db2.gz RZPNWSTZCPAHHA-UHFFFAOYSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196718150 1368669107 /nfs/dbraw/zinc/66/91/07/1368669107.db2.gz RZPNWSTZCPAHHA-UHFFFAOYSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718150 1368669109 /nfs/dbraw/zinc/66/91/09/1368669109.db2.gz RZPNWSTZCPAHHA-UHFFFAOYSA-N 1 3 335.536 3.142 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027790 1369959807 /nfs/dbraw/zinc/95/98/07/1369959807.db2.gz IIXQJFCUGFEFHL-MSOLQXFVSA-N 1 3 349.563 3.458 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521562 1370153714 /nfs/dbraw/zinc/15/37/14/1370153714.db2.gz KGALGXVHBCNBGI-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649503 1370200645 /nfs/dbraw/zinc/20/06/45/1370200645.db2.gz BKYDFXZSNDEDGX-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659795 1370205516 /nfs/dbraw/zinc/20/55/16/1370205516.db2.gz KZRHKQBJGARWCL-ZWKOTPCHSA-N 1 3 344.503 3.024 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791977 1370267327 /nfs/dbraw/zinc/26/73/27/1370267327.db2.gz MMKGHIYWLPIWFW-ZWKOTPCHSA-N 1 3 335.536 3.090 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(C#N)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206024880 1370942399 /nfs/dbraw/zinc/94/23/99/1370942399.db2.gz LOGDQSIILOYGQZ-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207716 1371504405 /nfs/dbraw/zinc/50/44/05/1371504405.db2.gz BYJQLTPELGUZLW-UHFFFAOYSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208013105 1371567422 /nfs/dbraw/zinc/56/74/22/1371567422.db2.gz AESBJKGUZZNTKQ-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014403 1371568079 /nfs/dbraw/zinc/56/80/79/1371568079.db2.gz QBYXTBXTSMXDEJ-RBUKOAKNSA-N 1 3 337.552 3.410 20 30 EGEDHO C=CCC[C@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001120733454 1371732638 /nfs/dbraw/zinc/73/26/38/1371732638.db2.gz ODDKTHPJPIAALP-FQEVSTJZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001208575520 1371824936 /nfs/dbraw/zinc/82/49/36/1371824936.db2.gz PWBAOXUWFDTEIG-QRVBRYPASA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001208575520 1371824938 /nfs/dbraw/zinc/82/49/38/1371824938.db2.gz PWBAOXUWFDTEIG-QRVBRYPASA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206237 1375209273 /nfs/dbraw/zinc/20/92/73/1375209273.db2.gz GSMKUDFYVKLQHV-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206237 1375209275 /nfs/dbraw/zinc/20/92/75/1375209275.db2.gz GSMKUDFYVKLQHV-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001228039763 1375508647 /nfs/dbraw/zinc/50/86/47/1375508647.db2.gz NEZQUKRDSXTJQI-UHFFFAOYSA-N 1 3 325.541 3.268 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347357 1375936169 /nfs/dbraw/zinc/93/61/69/1375936169.db2.gz WDSMRRXNKWKLPW-MOPGFXCFSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691781 1377185528 /nfs/dbraw/zinc/18/55/28/1377185528.db2.gz ZNAOGJVMEGTHJS-JKSUJKDBSA-N 1 3 331.932 3.124 20 30 EGEDHO C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480567 1381261154 /nfs/dbraw/zinc/26/11/54/1381261154.db2.gz OFDORUONAFWJMH-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480567 1381261162 /nfs/dbraw/zinc/26/11/62/1381261162.db2.gz OFDORUONAFWJMH-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219685 1382346754 /nfs/dbraw/zinc/34/67/54/1382346754.db2.gz KTRZBGONODJGBT-GOSISDBHSA-N 1 3 349.563 3.457 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219685 1382346767 /nfs/dbraw/zinc/34/67/67/1382346767.db2.gz KTRZBGONODJGBT-GOSISDBHSA-N 1 3 349.563 3.457 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385636 1383619008 /nfs/dbraw/zinc/61/90/08/1383619008.db2.gz LQDYHXCUKUQNQO-RTBURBONSA-N 1 3 349.563 3.480 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001167470877 1383642541 /nfs/dbraw/zinc/64/25/41/1383642541.db2.gz GYZSIUOQLZANIB-UHFFFAOYSA-N 1 3 337.552 3.341 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167754368 1383731524 /nfs/dbraw/zinc/73/15/24/1383731524.db2.gz XBKOSEBHVRORKN-PZBNQXIHSA-N 1 3 327.476 3.456 20 30 EGEDHO C[C@H]1CCCC[N@H+]1CCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167754368 1383731528 /nfs/dbraw/zinc/73/15/28/1383731528.db2.gz XBKOSEBHVRORKN-PZBNQXIHSA-N 1 3 327.476 3.456 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171585662 1384572271 /nfs/dbraw/zinc/57/22/71/1384572271.db2.gz ADFATMSXYDTUPD-IRXDYDNUSA-N 1 3 325.541 3.336 20 30 EGEDHO COC(=O)c1cccc(C[NH2+]C2CCN([C@@H](C)CCCC#N)CC2)c1 ZINC001172509715 1384807450 /nfs/dbraw/zinc/80/74/50/1384807450.db2.gz OPNMNNQXHKHQNU-INIZCTEOSA-N 1 3 343.471 3.110 20 30 EGEDHO C=CCOC1CCC(N2CCC([NH3+])(c3cccc(OC)c3)CC2)CC1 ZINC001173318985 1384957261 /nfs/dbraw/zinc/95/72/61/1384957261.db2.gz SZRUUCUBQBVYLR-UHFFFAOYSA-N 1 3 344.499 3.459 20 30 EGEDHO CC1(C#N)CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001173591948 1384982976 /nfs/dbraw/zinc/98/29/76/1384982976.db2.gz ZTEPCKRGDWYJSE-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182614636 1387197319 /nfs/dbraw/zinc/19/73/19/1387197319.db2.gz LRHOINHQOVNPND-SVFBPWRDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001754946726 1440713556 /nfs/dbraw/zinc/71/35/56/1440713556.db2.gz URUQBQXECANRHC-HXUWFJFHSA-N 1 3 343.515 3.043 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001754946726 1440713557 /nfs/dbraw/zinc/71/35/57/1440713557.db2.gz URUQBQXECANRHC-HXUWFJFHSA-N 1 3 343.515 3.043 20 30 EGEDHO C=CCCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001755821483 1440925770 /nfs/dbraw/zinc/92/57/70/1440925770.db2.gz FXKLLBKGDIMROV-KRWDZBQOSA-N 1 3 337.552 3.338 20 30 EGEDHO COc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1C#N ZINC000174346441 533671554 /nfs/dbraw/zinc/67/15/54/533671554.db2.gz DOVPVGSTKIVLOK-HXUWFJFHSA-N 1 3 349.478 3.221 20 30 EGEDHO Cn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191312541 153186139 /nfs/dbraw/zinc/18/61/39/153186139.db2.gz HPVMSQJWAFGZAT-UHFFFAOYSA-N 1 3 336.483 3.241 20 30 EGEDHO Cn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191312541 153186144 /nfs/dbraw/zinc/18/61/44/153186144.db2.gz HPVMSQJWAFGZAT-UHFFFAOYSA-N 1 3 336.483 3.241 20 30 EGEDHO N=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000288753699 456104044 /nfs/dbraw/zinc/10/40/44/456104044.db2.gz RFHHWAYYOGOMNA-UHFFFAOYSA-N 1 3 344.409 3.487 20 30 EGEDHO C=CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424544 457285684 /nfs/dbraw/zinc/28/56/84/457285684.db2.gz WJBXMVOYNHGYPZ-SFTDATJTSA-N 1 3 328.500 3.302 20 30 EGEDHO C=CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424544 457285685 /nfs/dbraw/zinc/28/56/85/457285685.db2.gz WJBXMVOYNHGYPZ-SFTDATJTSA-N 1 3 328.500 3.302 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357054509 457301304 /nfs/dbraw/zinc/30/13/04/457301304.db2.gz QFLVHWDLJGFEEQ-SFHVURJKSA-N 1 3 330.472 3.082 20 30 EGEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000423336833 458430701 /nfs/dbraw/zinc/43/07/01/458430701.db2.gz JVOLUVNKJIKKDL-VQIMIIECSA-N 1 3 329.488 3.135 20 30 EGEDHO CN(c1ccccc1CN1CCC[C@@H](CC#N)C1)C1CC[NH+](C)CC1 ZINC000597172704 459861464 /nfs/dbraw/zinc/86/14/64/459861464.db2.gz DCENOOYZDGADNH-SFHVURJKSA-N 1 3 340.515 3.343 20 30 EGEDHO C[C@H]1C[C@@H](CCNCc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000602578099 460005926 /nfs/dbraw/zinc/00/59/26/460005926.db2.gz YYKHBJARVBYXLC-PKOBYXMFSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@H]1C[C@@H](CCNCc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578099 460005934 /nfs/dbraw/zinc/00/59/34/460005934.db2.gz YYKHBJARVBYXLC-PKOBYXMFSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@@H]1C[C@@H](CCNCc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000602578097 460006376 /nfs/dbraw/zinc/00/63/76/460006376.db2.gz YYKHBJARVBYXLC-IEBWSBKVSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@@H]1C[C@@H](CCNCc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578097 460006380 /nfs/dbraw/zinc/00/63/80/460006380.db2.gz YYKHBJARVBYXLC-IEBWSBKVSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602652130 460045852 /nfs/dbraw/zinc/04/58/52/460045852.db2.gz WIFXPKIVIMTXGW-QUCCMNQESA-N 1 3 341.499 3.197 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652130 460045856 /nfs/dbraw/zinc/04/58/56/460045856.db2.gz WIFXPKIVIMTXGW-QUCCMNQESA-N 1 3 341.499 3.197 20 30 EGEDHO C[C@@]1(CNC[C@@H](O)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311840348 1297110859 /nfs/dbraw/zinc/11/08/59/1297110859.db2.gz UFHUUMGMUXKREG-YADHBBJMSA-N 1 3 349.478 3.093 20 30 EGEDHO C[C@@]1(CNC[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840348 1297110870 /nfs/dbraw/zinc/11/08/70/1297110870.db2.gz UFHUUMGMUXKREG-YADHBBJMSA-N 1 3 349.478 3.093 20 30 EGEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000328253404 1297255967 /nfs/dbraw/zinc/25/59/67/1297255967.db2.gz JQKXZZYWTNDYEH-LBPRGKRZSA-N 1 3 327.241 3.194 20 30 EGEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000328253404 1297255978 /nfs/dbraw/zinc/25/59/78/1297255978.db2.gz JQKXZZYWTNDYEH-LBPRGKRZSA-N 1 3 327.241 3.194 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)ccc1OC ZINC000817917386 1319460671 /nfs/dbraw/zinc/46/06/71/1319460671.db2.gz FJKMUGQWGMUIRP-ZACQAIPSSA-N 1 3 331.460 3.126 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023695616 1319818817 /nfs/dbraw/zinc/81/88/17/1319818817.db2.gz COOZPYMZVWICML-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023695616 1319818829 /nfs/dbraw/zinc/81/88/29/1319818829.db2.gz COOZPYMZVWICML-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969156520 1336165635 /nfs/dbraw/zinc/16/56/35/1336165635.db2.gz VOWFFNXRANXYIE-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969156520 1336165637 /nfs/dbraw/zinc/16/56/37/1336165637.db2.gz VOWFFNXRANXYIE-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572436 1347599248 /nfs/dbraw/zinc/59/92/48/1347599248.db2.gz HXRWIWPICMCVPC-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572436 1347599250 /nfs/dbraw/zinc/59/92/50/1347599250.db2.gz HXRWIWPICMCVPC-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099490 1355129209 /nfs/dbraw/zinc/12/92/09/1355129209.db2.gz RKMPXUHXRFYODN-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099490 1355129211 /nfs/dbraw/zinc/12/92/11/1355129211.db2.gz RKMPXUHXRFYODN-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277792 1364496153 /nfs/dbraw/zinc/49/61/53/1364496153.db2.gz YTQSTJCETGDTEV-GGPKGHCWSA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277792 1364496156 /nfs/dbraw/zinc/49/61/56/1364496156.db2.gz YTQSTJCETGDTEV-GGPKGHCWSA-N 1 3 337.552 3.077 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001101574799 1364628967 /nfs/dbraw/zinc/62/89/67/1364628967.db2.gz DLJKJRNUDVDFLE-SFHVURJKSA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472250 1365073556 /nfs/dbraw/zinc/07/35/56/1365073556.db2.gz QVBAAOAKLKEKNJ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472250 1365073562 /nfs/dbraw/zinc/07/35/62/1365073562.db2.gz QVBAAOAKLKEKNJ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832442 1366192911 /nfs/dbraw/zinc/19/29/11/1366192911.db2.gz AXOSOXYAPVXWBL-HSALFYBXSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544191 1366521354 /nfs/dbraw/zinc/52/13/54/1366521354.db2.gz CZCAKEVWWVTQLG-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105560846 1366530638 /nfs/dbraw/zinc/53/06/38/1366530638.db2.gz DIJLYHPTLJTDBH-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575160 1366540034 /nfs/dbraw/zinc/54/00/34/1366540034.db2.gz SLBMDTWWQUDLEH-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227335 1368212886 /nfs/dbraw/zinc/21/28/86/1368212886.db2.gz KAPSLGZWTHJHEX-XLIONFOSSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227335 1368212891 /nfs/dbraw/zinc/21/28/91/1368212891.db2.gz KAPSLGZWTHJHEX-XLIONFOSSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548926 1368923514 /nfs/dbraw/zinc/92/35/14/1368923514.db2.gz ZPVHZIZHOKBLGO-FPOVZHCZSA-N 1 3 349.563 3.293 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112586069 1368938028 /nfs/dbraw/zinc/93/80/28/1368938028.db2.gz FXNFMNYFTUWMMB-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO N#Cc1cccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203762619 1370254549 /nfs/dbraw/zinc/25/45/49/1370254549.db2.gz SNVNFHCMCUAUBW-UHFFFAOYSA-N 1 3 346.478 3.441 20 30 EGEDHO N#Cc1cccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203762619 1370254550 /nfs/dbraw/zinc/25/45/50/1370254550.db2.gz SNVNFHCMCUAUBW-UHFFFAOYSA-N 1 3 346.478 3.441 20 30 EGEDHO C[C@@H]1CCN(Cc2cc(C#N)ccc2Br)CC[C@H]1C[NH3+] ZINC001205627207 1370815992 /nfs/dbraw/zinc/81/59/92/1370815992.db2.gz NVZCKRJHDJOOSK-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@H]1CN(Cc2ccc(C#N)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206024877 1370942112 /nfs/dbraw/zinc/94/21/12/1370942112.db2.gz LOGDQSIILOYGQZ-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275493 1371010078 /nfs/dbraw/zinc/01/00/78/1371010078.db2.gz UGQBXWLIPAIGHN-SFHVURJKSA-N 1 3 337.552 3.127 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952365 1371243030 /nfs/dbraw/zinc/24/30/30/1371243030.db2.gz LWNPJJNLJQHGCD-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208002 1371505513 /nfs/dbraw/zinc/50/55/13/1371505513.db2.gz QDXVACXUYJEMOL-GOSISDBHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208049067 1371580343 /nfs/dbraw/zinc/58/03/43/1371580343.db2.gz MDVIQAXBWMZMME-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCC2S1 ZINC001208584437 1371827123 /nfs/dbraw/zinc/82/71/23/1371827123.db2.gz FTAJAXXPVISWGD-RBUKOAKNSA-N 1 3 342.508 3.315 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCC2S1 ZINC001208584437 1371827127 /nfs/dbraw/zinc/82/71/27/1371827127.db2.gz FTAJAXXPVISWGD-RBUKOAKNSA-N 1 3 342.508 3.315 20 30 EGEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001121859732 1372105657 /nfs/dbraw/zinc/10/56/57/1372105657.db2.gz GWJIIXXXFMTWSO-FCOWATRHSA-N 1 3 347.547 3.233 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215567950 1373213555 /nfs/dbraw/zinc/21/35/55/1373213555.db2.gz IKFUOVQFUHYVLM-QZTJIDSGSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544014 1373778852 /nfs/dbraw/zinc/77/88/52/1373778852.db2.gz JXFLGNZRYYQWLR-VAMGGRTRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544014 1373778855 /nfs/dbraw/zinc/77/88/55/1373778855.db2.gz JXFLGNZRYYQWLR-VAMGGRTRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689342 1373860743 /nfs/dbraw/zinc/86/07/43/1373860743.db2.gz OUVMAPRHAZSHTA-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689342 1373860747 /nfs/dbraw/zinc/86/07/47/1373860747.db2.gz OUVMAPRHAZSHTA-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001132523883 1375439635 /nfs/dbraw/zinc/43/96/35/1375439635.db2.gz BLDKOYGCIGALHI-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001132523883 1375439638 /nfs/dbraw/zinc/43/96/38/1375439638.db2.gz BLDKOYGCIGALHI-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132823577 1375584621 /nfs/dbraw/zinc/58/46/21/1375584621.db2.gz IQIQSCVWYKEUKD-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228931542 1375718976 /nfs/dbraw/zinc/71/89/76/1375718976.db2.gz CVRGIFRVLLYSOR-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120902 1375786446 /nfs/dbraw/zinc/78/64/46/1375786446.db2.gz CDWCIIPJRTUJKS-ROUUACIJSA-N 1 3 337.552 3.005 20 30 EGEDHO COc1cc(C#N)ccc1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001231618601 1376282542 /nfs/dbraw/zinc/28/25/42/1376282542.db2.gz OUVBEMKHDYGXGL-UHFFFAOYSA-N 1 3 327.472 3.121 20 30 EGEDHO N#Cc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001140542600 1378081370 /nfs/dbraw/zinc/08/13/70/1378081370.db2.gz BXSMXXAIWJDHKN-UHFFFAOYSA-N 1 3 336.439 3.034 20 30 EGEDHO N#Cc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001140542600 1378081371 /nfs/dbraw/zinc/08/13/71/1378081371.db2.gz BXSMXXAIWJDHKN-UHFFFAOYSA-N 1 3 336.439 3.034 20 30 EGEDHO C=CCC[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938491 1382561970 /nfs/dbraw/zinc/56/19/70/1382561970.db2.gz OMPQZGHQRHPODF-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938491 1382561974 /nfs/dbraw/zinc/56/19/74/1382561974.db2.gz OMPQZGHQRHPODF-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464631 1383299100 /nfs/dbraw/zinc/29/91/00/1383299100.db2.gz IJFIZBMFEATSKS-UHFFFAOYSA-N 1 3 335.536 3.093 20 30 EGEDHO N#CCC1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001173334469 1384960623 /nfs/dbraw/zinc/96/06/23/1384960623.db2.gz SNXLFLDKILIRFB-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571767 1385335600 /nfs/dbraw/zinc/33/56/00/1385335600.db2.gz FRFSNIJMVCAQIQ-RBUKOAKNSA-N 1 3 337.552 3.480 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175786209 1385405695 /nfs/dbraw/zinc/40/56/95/1385405695.db2.gz INEYDXIOJARSHK-SFHVURJKSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176284187 1385539160 /nfs/dbraw/zinc/53/91/60/1385539160.db2.gz CWWSJKYHEYGQEI-GOSISDBHSA-N 1 3 325.541 3.339 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)N(C)C ZINC001177348167 1385923608 /nfs/dbraw/zinc/92/36/08/1385923608.db2.gz AYYODBJJFXUOGG-LJQANCHMSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCC ZINC001177468477 1385968385 /nfs/dbraw/zinc/96/83/85/1385968385.db2.gz ARHWGXBTLPLWJM-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC001320641174 1386675692 /nfs/dbraw/zinc/67/56/92/1386675692.db2.gz ZGUIMCJOMTWCRM-GOSISDBHSA-N 1 3 348.494 3.156 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180372911 1386777960 /nfs/dbraw/zinc/77/79/60/1386777960.db2.gz NFQXNUWIDULKII-RBUKOAKNSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001752542621 1440194709 /nfs/dbraw/zinc/19/47/09/1440194709.db2.gz NYXPDFDRGIUFLA-WCIQWLHISA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752542621 1440194710 /nfs/dbraw/zinc/19/47/10/1440194710.db2.gz NYXPDFDRGIUFLA-WCIQWLHISA-N 1 3 347.547 3.138 20 30 EGEDHO CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001755031254 1440731735 /nfs/dbraw/zinc/73/17/35/1440731735.db2.gz OBOCTEOXPYGRGR-KRWDZBQOSA-N 1 3 334.508 3.202 20 30 EGEDHO CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001755031254 1440731736 /nfs/dbraw/zinc/73/17/36/1440731736.db2.gz OBOCTEOXPYGRGR-KRWDZBQOSA-N 1 3 334.508 3.202 20 30 EGEDHO C[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109878 453965663 /nfs/dbraw/zinc/96/56/63/453965663.db2.gz WJXNXQAAEHWYMM-OAQYLSRUSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109878 453965666 /nfs/dbraw/zinc/96/56/66/453965666.db2.gz WJXNXQAAEHWYMM-OAQYLSRUSA-N 1 3 349.478 3.391 20 30 EGEDHO CC(C)N(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000181407044 455330411 /nfs/dbraw/zinc/33/04/11/455330411.db2.gz VIIMCXMMRXPIOM-UHFFFAOYSA-N 1 3 342.531 3.231 20 30 EGEDHO CC(C)[NH+](CCNC1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000181407044 455330417 /nfs/dbraw/zinc/33/04/17/455330417.db2.gz VIIMCXMMRXPIOM-UHFFFAOYSA-N 1 3 342.531 3.231 20 30 EGEDHO Cn1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C#N ZINC000293927846 455801244 /nfs/dbraw/zinc/80/12/44/455801244.db2.gz NGDHDGYXWLNODV-UHFFFAOYSA-N 1 3 348.494 3.385 20 30 EGEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)NC1CCCCC1 ZINC000262020112 455985970 /nfs/dbraw/zinc/98/59/70/455985970.db2.gz XMJPHTQAPJBBNS-UHFFFAOYSA-N 1 3 334.533 3.197 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290368149 456307360 /nfs/dbraw/zinc/30/73/60/456307360.db2.gz HFZYNFKEYDFNHS-HXUWFJFHSA-N 1 3 340.515 3.200 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290368149 456307361 /nfs/dbraw/zinc/30/73/61/456307361.db2.gz HFZYNFKEYDFNHS-HXUWFJFHSA-N 1 3 340.515 3.200 20 30 EGEDHO C=CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424485 457285400 /nfs/dbraw/zinc/28/54/00/457285400.db2.gz WJBXMVOYNHGYPZ-LEWJYISDSA-N 1 3 328.500 3.302 20 30 EGEDHO C=CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424485 457285404 /nfs/dbraw/zinc/28/54/04/457285404.db2.gz WJBXMVOYNHGYPZ-LEWJYISDSA-N 1 3 328.500 3.302 20 30 EGEDHO COCCC[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834030 457374522 /nfs/dbraw/zinc/37/45/22/457374522.db2.gz IJFBMHFQHDROIU-OAQYLSRUSA-N 1 3 341.499 3.416 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000433180011 457771443 /nfs/dbraw/zinc/77/14/43/457771443.db2.gz ZIXCJBOLSWZFCF-IBGZPJMESA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1C#N ZINC000481190699 459239098 /nfs/dbraw/zinc/23/90/98/459239098.db2.gz LQTLLOJKPJMZEX-RXVVDRJESA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1C#N ZINC000481190699 459239105 /nfs/dbraw/zinc/23/91/05/459239105.db2.gz LQTLLOJKPJMZEX-RXVVDRJESA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701396 459999735 /nfs/dbraw/zinc/99/97/35/459999735.db2.gz USVYKEDLDYQLJJ-FXAWDEMLSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701396 459999742 /nfs/dbraw/zinc/99/97/42/459999742.db2.gz USVYKEDLDYQLJJ-FXAWDEMLSA-N 1 3 343.515 3.451 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220000 460209347 /nfs/dbraw/zinc/20/93/47/460209347.db2.gz NCQABBBCSFVXOS-RTBURBONSA-N 1 3 339.483 3.282 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220000 460209355 /nfs/dbraw/zinc/20/93/55/460209355.db2.gz NCQABBBCSFVXOS-RTBURBONSA-N 1 3 339.483 3.282 20 30 EGEDHO C[C@@H](c1ccc(C#N)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947412 534047458 /nfs/dbraw/zinc/04/74/58/534047458.db2.gz JUNNJQWLJYCKRC-KRWDZBQOSA-N 1 3 327.472 3.196 20 30 EGEDHO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000152938665 526606553 /nfs/dbraw/zinc/60/65/53/526606553.db2.gz LCTISKTYJLYJCG-GOSISDBHSA-N 1 3 345.531 3.318 20 30 EGEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000192724889 1295792644 /nfs/dbraw/zinc/79/26/44/1295792644.db2.gz WSEKQSFAISZZNI-JOCHJYFZSA-N 1 3 339.527 3.025 20 30 EGEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000192724889 1295792652 /nfs/dbraw/zinc/79/26/52/1295792652.db2.gz WSEKQSFAISZZNI-JOCHJYFZSA-N 1 3 339.527 3.025 20 30 EGEDHO COc1ccc(NC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1Cl ZINC000263259018 1296672354 /nfs/dbraw/zinc/67/23/54/1296672354.db2.gz RYXWYZGXPGPAQZ-UHFFFAOYSA-N 1 3 338.883 3.340 20 30 EGEDHO CCCCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304759870 1296941493 /nfs/dbraw/zinc/94/14/93/1296941493.db2.gz RQCLZUFUSICDMQ-UHFFFAOYSA-N 1 3 336.911 3.256 20 30 EGEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000876719639 1298936924 /nfs/dbraw/zinc/93/69/24/1298936924.db2.gz QNIJEKDOGJDCMR-CRAIPNDOSA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719639 1298936931 /nfs/dbraw/zinc/93/69/31/1298936931.db2.gz QNIJEKDOGJDCMR-CRAIPNDOSA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001026493766 1324847193 /nfs/dbraw/zinc/84/71/93/1324847193.db2.gz NKYZWHWXPXDEDB-UHFFFAOYSA-N 1 3 341.927 3.020 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306353 1325088402 /nfs/dbraw/zinc/08/84/02/1325088402.db2.gz NXXGLWGYRXIFNW-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306353 1325088411 /nfs/dbraw/zinc/08/84/11/1325088411.db2.gz NXXGLWGYRXIFNW-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947309562 1333084093 /nfs/dbraw/zinc/08/40/93/1333084093.db2.gz FMAMCBHKJRYHRM-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC000947309562 1333084095 /nfs/dbraw/zinc/08/40/95/1333084095.db2.gz FMAMCBHKJRYHRM-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829292 1333700934 /nfs/dbraw/zinc/70/09/34/1333700934.db2.gz JEBWMZOFICGJTD-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829292 1333700936 /nfs/dbraw/zinc/70/09/36/1333700936.db2.gz JEBWMZOFICGJTD-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829812 1333701648 /nfs/dbraw/zinc/70/16/48/1333701648.db2.gz WXTLRDBEPUEIMX-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829812 1333701650 /nfs/dbraw/zinc/70/16/50/1333701650.db2.gz WXTLRDBEPUEIMX-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674926 1336005572 /nfs/dbraw/zinc/00/55/72/1336005572.db2.gz WADVDMZNILIWQG-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674926 1336005576 /nfs/dbraw/zinc/00/55/76/1336005576.db2.gz WADVDMZNILIWQG-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674927 1336005872 /nfs/dbraw/zinc/00/58/72/1336005872.db2.gz WADVDMZNILIWQG-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674927 1336005875 /nfs/dbraw/zinc/00/58/75/1336005875.db2.gz WADVDMZNILIWQG-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681415 1336008522 /nfs/dbraw/zinc/00/85/22/1336008522.db2.gz JJOGTIMIQWGGNJ-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681415 1336008524 /nfs/dbraw/zinc/00/85/24/1336008524.db2.gz JJOGTIMIQWGGNJ-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882498 1336078902 /nfs/dbraw/zinc/07/89/02/1336078902.db2.gz PBYJVZMLDWJPPA-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882498 1336078905 /nfs/dbraw/zinc/07/89/05/1336078905.db2.gz PBYJVZMLDWJPPA-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153692 1336164652 /nfs/dbraw/zinc/16/46/52/1336164652.db2.gz NBTODIUQPLJSMU-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153692 1336164653 /nfs/dbraw/zinc/16/46/53/1336164653.db2.gz NBTODIUQPLJSMU-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016862323 1338751360 /nfs/dbraw/zinc/75/13/60/1338751360.db2.gz WCVQHPZXKZYWLH-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545599 1345540644 /nfs/dbraw/zinc/54/06/44/1345540644.db2.gz RRZRAYSPZLVQDO-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545599 1345540646 /nfs/dbraw/zinc/54/06/46/1345540646.db2.gz RRZRAYSPZLVQDO-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966430 1346801065 /nfs/dbraw/zinc/80/10/65/1346801065.db2.gz WMTQQDXUGHZJKI-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966430 1346801067 /nfs/dbraw/zinc/80/10/67/1346801067.db2.gz WMTQQDXUGHZJKI-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049765842 1348009025 /nfs/dbraw/zinc/00/90/25/1348009025.db2.gz IGUPLQHGABPSAG-AQNXPRMDSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049765842 1348009028 /nfs/dbraw/zinc/00/90/28/1348009028.db2.gz IGUPLQHGABPSAG-AQNXPRMDSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918813 1348111998 /nfs/dbraw/zinc/11/19/98/1348111998.db2.gz MRGKCGNIOGPELK-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918813 1348112001 /nfs/dbraw/zinc/11/20/01/1348112001.db2.gz MRGKCGNIOGPELK-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921407 1348113781 /nfs/dbraw/zinc/11/37/81/1348113781.db2.gz WGMZXHFJFLBHBS-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921407 1348113784 /nfs/dbraw/zinc/11/37/84/1348113784.db2.gz WGMZXHFJFLBHBS-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052762743 1348668254 /nfs/dbraw/zinc/66/82/54/1348668254.db2.gz BKRJKCPDEVSZAE-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052762743 1348668257 /nfs/dbraw/zinc/66/82/57/1348668257.db2.gz BKRJKCPDEVSZAE-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386284 1360386755 /nfs/dbraw/zinc/38/67/55/1360386755.db2.gz OBBOAXHFWZDSGT-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386284 1360386759 /nfs/dbraw/zinc/38/67/59/1360386759.db2.gz OBBOAXHFWZDSGT-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099252673 1363715059 /nfs/dbraw/zinc/71/50/59/1363715059.db2.gz YZGNSAGZNKXQGE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099252673 1363715062 /nfs/dbraw/zinc/71/50/62/1363715062.db2.gz YZGNSAGZNKXQGE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100563812 1364164231 /nfs/dbraw/zinc/16/42/31/1364164231.db2.gz WYOJSXPRAKYUQV-UHFFFAOYSA-N 1 3 337.552 3.316 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681281 1364216431 /nfs/dbraw/zinc/21/64/31/1364216431.db2.gz FLXJYOIJTMTMID-UHFFFAOYSA-N 1 3 339.568 3.419 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001101550398 1364613406 /nfs/dbraw/zinc/61/34/06/1364613406.db2.gz HBJQAXUOVXTAHP-GOSISDBHSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001101574210 1364628930 /nfs/dbraw/zinc/62/89/30/1364628930.db2.gz XINZPEIUOPFVTL-GOSISDBHSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368092 1365026298 /nfs/dbraw/zinc/02/62/98/1365026298.db2.gz DKBZRRCVALZZOT-GUDVDZBRSA-N 1 3 337.552 3.125 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368092 1365026303 /nfs/dbraw/zinc/02/63/03/1365026303.db2.gz DKBZRRCVALZZOT-GUDVDZBRSA-N 1 3 337.552 3.125 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550575 1365629661 /nfs/dbraw/zinc/62/96/61/1365629661.db2.gz XLKZSJNVUOZZHC-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550575 1365629663 /nfs/dbraw/zinc/62/96/63/1365629663.db2.gz XLKZSJNVUOZZHC-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741701 1387787706 /nfs/dbraw/zinc/78/77/06/1387787706.db2.gz OJCNMWWYNXQZPH-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105058652 1366299323 /nfs/dbraw/zinc/29/93/23/1366299323.db2.gz QCMMVMDSPLUTRN-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575000 1366540118 /nfs/dbraw/zinc/54/01/18/1366540118.db2.gz OMOQPTNVSVRHDW-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578657 1366542174 /nfs/dbraw/zinc/54/21/74/1366542174.db2.gz DCIHCPDSZLWPAL-SFHVURJKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107401896 1366953321 /nfs/dbraw/zinc/95/33/21/1366953321.db2.gz FHGFZLUXIAYCBY-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107401896 1366953323 /nfs/dbraw/zinc/95/33/23/1366953323.db2.gz FHGFZLUXIAYCBY-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704903 1367544504 /nfs/dbraw/zinc/54/45/04/1367544504.db2.gz UVRMHFOXLNFARW-BJLQDIEVSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694806 1367933474 /nfs/dbraw/zinc/93/34/74/1367933474.db2.gz MSOSSBBRGCIJQP-YRXWBPOGSA-N 1 3 337.552 3.265 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694806 1367933478 /nfs/dbraw/zinc/93/34/78/1367933478.db2.gz MSOSSBBRGCIJQP-YRXWBPOGSA-N 1 3 337.552 3.265 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001195846267 1368502602 /nfs/dbraw/zinc/50/26/02/1368502602.db2.gz SQTVVMRGCUEJMG-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001195846267 1368502607 /nfs/dbraw/zinc/50/26/07/1368502607.db2.gz SQTVVMRGCUEJMG-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540464 1368920367 /nfs/dbraw/zinc/92/03/67/1368920367.db2.gz YHRRKQCRKVCDMF-ZVDOUQERSA-N 1 3 347.547 3.044 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563121 1370563223 /nfs/dbraw/zinc/56/32/23/1370563223.db2.gz QDPWGPXPJZXWKK-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563121 1370563224 /nfs/dbraw/zinc/56/32/24/1370563224.db2.gz QDPWGPXPJZXWKK-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C[C@@H]1CCN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205627208 1370816325 /nfs/dbraw/zinc/81/63/25/1370816325.db2.gz NVZCKRJHDJOOSK-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@H]1CCN(Cc2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205654488 1370830314 /nfs/dbraw/zinc/83/03/14/1370830314.db2.gz XALKCAWJTGSFLK-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679642 1371129961 /nfs/dbraw/zinc/12/99/61/1371129961.db2.gz LSTZMDSRAINFNF-UHFFFAOYSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431469 1371575520 /nfs/dbraw/zinc/57/55/20/1371575520.db2.gz UDWLSXMEPLEYRK-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431469 1371575522 /nfs/dbraw/zinc/57/55/22/1371575522.db2.gz UDWLSXMEPLEYRK-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121237760 1371903143 /nfs/dbraw/zinc/90/31/43/1371903143.db2.gz DPEJYJWMWZPGNU-UHFFFAOYSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211248130 1372511446 /nfs/dbraw/zinc/51/14/46/1372511446.db2.gz DOQAIZRJAYUKJW-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419495 1375367285 /nfs/dbraw/zinc/36/72/85/1375367285.db2.gz CPVKBBCCKFUKJN-OALUTQOASA-N 1 3 337.552 3.434 20 30 EGEDHO C=C[C@@H](CC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160009 1375399766 /nfs/dbraw/zinc/39/97/66/1375399766.db2.gz AXJDSEGLHWPDRZ-IBGZPJMESA-N 1 3 333.520 3.215 20 30 EGEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265647 1376795851 /nfs/dbraw/zinc/79/58/51/1376795851.db2.gz KFTGESBTMROMIP-OALUTQOASA-N 1 3 337.552 3.362 20 30 EGEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265647 1376795854 /nfs/dbraw/zinc/79/58/54/1376795854.db2.gz KFTGESBTMROMIP-OALUTQOASA-N 1 3 337.552 3.362 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153313488 1380053895 /nfs/dbraw/zinc/05/38/95/1380053895.db2.gz SQCJPLVHWPLWMW-MOPGFXCFSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153313488 1380053898 /nfs/dbraw/zinc/05/38/98/1380053898.db2.gz SQCJPLVHWPLWMW-MOPGFXCFSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158645868 1381335232 /nfs/dbraw/zinc/33/52/32/1381335232.db2.gz ASWIZBICVZIKBM-WOJBJXKFSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158645868 1381335233 /nfs/dbraw/zinc/33/52/33/1381335233.db2.gz ASWIZBICVZIKBM-WOJBJXKFSA-N 1 3 349.563 3.386 20 30 EGEDHO C[C@H]1CC([NH2+]Cc2cncc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168024226 1383799725 /nfs/dbraw/zinc/79/97/25/1383799725.db2.gz CORACIZKURCWNF-IRXDYDNUSA-N 1 3 334.467 3.484 20 30 EGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172299619 1384762972 /nfs/dbraw/zinc/76/29/72/1384762972.db2.gz MVHAQXUGHYHAJY-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1CC ZINC001177488784 1385975673 /nfs/dbraw/zinc/97/56/73/1385975673.db2.gz MMZHSWOOBPAGHM-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752969498 1440254700 /nfs/dbraw/zinc/25/47/00/1440254700.db2.gz SASJCFHKIOMLSI-ZWKOTPCHSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001754540872 1440626223 /nfs/dbraw/zinc/62/62/23/1440626223.db2.gz IVGOSOSHZDIKTM-IHWFROFDSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001754828415 1440693963 /nfs/dbraw/zinc/69/39/63/1440693963.db2.gz KHCZVTBIGMGNRS-XLIONFOSSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@H+]3C)cc2C1 ZINC001755102131 1440753257 /nfs/dbraw/zinc/75/32/57/1440753257.db2.gz IVOKBGCOFCNORG-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001755102131 1440753258 /nfs/dbraw/zinc/75/32/58/1440753258.db2.gz IVOKBGCOFCNORG-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954237 267179576 /nfs/dbraw/zinc/17/95/76/267179576.db2.gz PJLMAEOHPAZQGS-KPOBHBOGSA-N 1 3 345.462 3.116 20 30 EGEDHO CC1CCN(C(=[NH2+])NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000122485000 454538662 /nfs/dbraw/zinc/53/86/62/454538662.db2.gz RFPVAHQLQSPZFR-UHFFFAOYSA-N 1 3 334.533 3.007 20 30 EGEDHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC1CCCCC1 ZINC000262011165 455985035 /nfs/dbraw/zinc/98/50/35/455985035.db2.gz UCKHSOXEUGSUQM-OAHLLOKOSA-N 1 3 334.533 3.197 20 30 EGEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)Nc1cc(F)ccc1F ZINC000262336190 456026206 /nfs/dbraw/zinc/02/62/06/456026206.db2.gz ZHDLJEPNMUMYHW-UHFFFAOYSA-N 1 3 345.397 3.003 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C[C@H](C)O1 ZINC000353248503 456584896 /nfs/dbraw/zinc/58/48/96/456584896.db2.gz AXWTYVAVZUYUTJ-GQIGUUNPSA-N 1 3 327.472 3.025 20 30 EGEDHO CCC[NH+]1CCC(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433305825 457805266 /nfs/dbraw/zinc/80/52/66/457805266.db2.gz QKVMJBWDUIBSAV-GOSISDBHSA-N 1 3 327.472 3.092 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000433364576 457821444 /nfs/dbraw/zinc/82/14/44/457821444.db2.gz NRTXVQVJIVBANK-PMACEKPBSA-N 1 3 339.483 3.093 20 30 EGEDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133356 458014811 /nfs/dbraw/zinc/01/48/11/458014811.db2.gz IUAAJHIXWVFONT-QUCCMNQESA-N 1 3 327.472 3.285 20 30 EGEDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133356 458014816 /nfs/dbraw/zinc/01/48/16/458014816.db2.gz IUAAJHIXWVFONT-QUCCMNQESA-N 1 3 327.472 3.285 20 30 EGEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928223 458226142 /nfs/dbraw/zinc/22/61/42/458226142.db2.gz OVDURZDKTIMNEJ-RBUKOAKNSA-N 1 3 327.472 3.140 20 30 EGEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928223 458226146 /nfs/dbraw/zinc/22/61/46/458226146.db2.gz OVDURZDKTIMNEJ-RBUKOAKNSA-N 1 3 327.472 3.140 20 30 EGEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414319768 458317298 /nfs/dbraw/zinc/31/72/98/458317298.db2.gz ALRZXLYFLYITDT-IRXDYDNUSA-N 1 3 343.515 3.074 20 30 EGEDHO Cc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000487889004 459535235 /nfs/dbraw/zinc/53/52/35/459535235.db2.gz OMJHZDQNOQGXBZ-ROUUACIJSA-N 1 3 341.499 3.188 20 30 EGEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000593324582 459842933 /nfs/dbraw/zinc/84/29/33/459842933.db2.gz XRVMDHYNBIBOEM-FGZHOGPDSA-N 1 3 346.478 3.257 20 30 EGEDHO N#Cc1cccc(CN2CCC(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000593324582 459842940 /nfs/dbraw/zinc/84/29/40/459842940.db2.gz XRVMDHYNBIBOEM-FGZHOGPDSA-N 1 3 346.478 3.257 20 30 EGEDHO CC(C#N)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602176791 459859134 /nfs/dbraw/zinc/85/91/34/459859134.db2.gz LPZQPPBRUCKMBW-QGZVFWFLSA-N 1 3 325.456 3.051 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219997 460210009 /nfs/dbraw/zinc/21/00/09/460210009.db2.gz NCQABBBCSFVXOS-MOPGFXCFSA-N 1 3 339.483 3.282 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598219997 460210013 /nfs/dbraw/zinc/21/00/13/460210013.db2.gz NCQABBBCSFVXOS-MOPGFXCFSA-N 1 3 339.483 3.282 20 30 EGEDHO C=CCc1cc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952458 1303597408 /nfs/dbraw/zinc/59/74/08/1303597408.db2.gz FCKZTAISUZEVCD-YJBOKZPZSA-N 1 3 332.488 3.252 20 30 EGEDHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079829 1319628594 /nfs/dbraw/zinc/62/85/94/1319628594.db2.gz WXFYCCWJNOLKPP-HTAPYJJXSA-N 1 3 349.478 3.407 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523885 1323471319 /nfs/dbraw/zinc/47/13/19/1323471319.db2.gz RLVCRQDHWMEXGU-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523885 1323471324 /nfs/dbraw/zinc/47/13/24/1323471324.db2.gz RLVCRQDHWMEXGU-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001024617858 1323546886 /nfs/dbraw/zinc/54/68/86/1323546886.db2.gz LZPWHJLGFLAWCG-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001024617858 1323546892 /nfs/dbraw/zinc/54/68/92/1323546892.db2.gz LZPWHJLGFLAWCG-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624071 1324475151 /nfs/dbraw/zinc/47/51/51/1324475151.db2.gz AYJJAXCJPWEOQH-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624071 1324475156 /nfs/dbraw/zinc/47/51/56/1324475156.db2.gz AYJJAXCJPWEOQH-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214150 1344929821 /nfs/dbraw/zinc/92/98/21/1344929821.db2.gz NSDSZBFKWNXXLA-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214150 1344929823 /nfs/dbraw/zinc/92/98/23/1344929823.db2.gz NSDSZBFKWNXXLA-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040704463 1345568231 /nfs/dbraw/zinc/56/82/31/1345568231.db2.gz XGBUZZTUYJWVBQ-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001040874740 1345592059 /nfs/dbraw/zinc/59/20/59/1345592059.db2.gz KMIKOVXHUVSZBD-LJQANCHMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040953889 1345609639 /nfs/dbraw/zinc/60/96/39/1345609639.db2.gz SVHXNWZRXCUPDV-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958272 1346793307 /nfs/dbraw/zinc/79/33/07/1346793307.db2.gz ODBUYTYCTHMNAD-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958272 1346793309 /nfs/dbraw/zinc/79/33/09/1346793309.db2.gz ODBUYTYCTHMNAD-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664480 1347963433 /nfs/dbraw/zinc/96/34/33/1347963433.db2.gz QLEMOFGWESTVGS-ZCNNSNEGSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664480 1347963435 /nfs/dbraw/zinc/96/34/35/1347963435.db2.gz QLEMOFGWESTVGS-ZCNNSNEGSA-N 1 3 345.531 3.035 20 30 EGEDHO CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183239177 1387282991 /nfs/dbraw/zinc/28/29/91/1387282991.db2.gz AWHOHRZOGMLCKJ-UYAOXDASSA-N 1 3 339.568 3.373 20 30 EGEDHO CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516952 1387316150 /nfs/dbraw/zinc/31/61/50/1387316150.db2.gz HJHJKTVJJXUWER-UYAOXDASSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184413114 1387454021 /nfs/dbraw/zinc/45/40/21/1387454021.db2.gz XSZAHAGOUBVWPY-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089648528 1360561964 /nfs/dbraw/zinc/56/19/64/1360561964.db2.gz LYPHJZMGKVBNAP-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089648528 1360561966 /nfs/dbraw/zinc/56/19/66/1360561966.db2.gz LYPHJZMGKVBNAP-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649501 1360562659 /nfs/dbraw/zinc/56/26/59/1360562659.db2.gz KLCGBSIFZWVUGJ-OALUTQOASA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649501 1360562661 /nfs/dbraw/zinc/56/26/61/1360562661.db2.gz KLCGBSIFZWVUGJ-OALUTQOASA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718185 1360619886 /nfs/dbraw/zinc/61/98/86/1360619886.db2.gz LVIQVMXMUMKAGE-IBGZPJMESA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528888 1361845705 /nfs/dbraw/zinc/84/57/05/1361845705.db2.gz AEMUQHNBLJYPDO-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528888 1361845707 /nfs/dbraw/zinc/84/57/07/1361845707.db2.gz AEMUQHNBLJYPDO-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001098827358 1363484414 /nfs/dbraw/zinc/48/44/14/1363484414.db2.gz UYHOAFGSMGCCDS-QUCCMNQESA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100319418 1364079431 /nfs/dbraw/zinc/07/94/31/1364079431.db2.gz LIPOZERVOBCOHN-ACBHZAAOSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353797 1364523400 /nfs/dbraw/zinc/52/34/00/1364523400.db2.gz FITDLWCDHPLLJA-SBHAEUEKSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353797 1364523406 /nfs/dbraw/zinc/52/34/06/1364523406.db2.gz FITDLWCDHPLLJA-SBHAEUEKSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001101547904 1364612092 /nfs/dbraw/zinc/61/20/92/1364612092.db2.gz UZVVDYMZTCEFNQ-UHFFFAOYSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001101571230 1364625824 /nfs/dbraw/zinc/62/58/24/1364625824.db2.gz OUDZXSVPCCNONZ-GOSISDBHSA-N 1 3 337.552 3.003 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357293 1387691157 /nfs/dbraw/zinc/69/11/57/1387691157.db2.gz BYJQEEYEQWJEAV-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103139897 1365403778 /nfs/dbraw/zinc/40/37/78/1365403778.db2.gz CXUNXOHGETZHHX-GUDVDZBRSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103139897 1365403781 /nfs/dbraw/zinc/40/37/81/1365403781.db2.gz CXUNXOHGETZHHX-GUDVDZBRSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544113 1366520979 /nfs/dbraw/zinc/52/09/79/1366520979.db2.gz ASMHDJPHJZEWNE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406109 1367774320 /nfs/dbraw/zinc/77/43/20/1367774320.db2.gz BFFTXCBHSKTIRC-SFHVURJKSA-N 1 3 339.568 3.467 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406109 1367774325 /nfs/dbraw/zinc/77/43/25/1367774325.db2.gz BFFTXCBHSKTIRC-SFHVURJKSA-N 1 3 339.568 3.467 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141522 1368753545 /nfs/dbraw/zinc/75/35/45/1368753545.db2.gz IDEDFJGBLCOCPI-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112540278 1368920481 /nfs/dbraw/zinc/92/04/81/1368920481.db2.gz OGRTXWVAYUFPJG-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524683 1370155124 /nfs/dbraw/zinc/15/51/24/1370155124.db2.gz YVBGYEAFRDNZSV-QZTJIDSGSA-N 1 3 337.552 3.316 20 30 EGEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206948817 1371241000 /nfs/dbraw/zinc/24/10/00/1371241000.db2.gz CIAWVSUNYUDZKV-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2CCCC)CCCCC1 ZINC001119989442 1371444480 /nfs/dbraw/zinc/44/44/80/1371444480.db2.gz MTAHJJQYTMBCJJ-IBGZPJMESA-N 1 3 347.547 3.073 20 30 EGEDHO C#CCCCN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209267469 1372055034 /nfs/dbraw/zinc/05/50/34/1372055034.db2.gz QZMZWKZSOOHUGK-SFHVURJKSA-N 1 3 333.426 3.028 20 30 EGEDHO C#CCCCN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209267469 1372055041 /nfs/dbraw/zinc/05/50/41/1372055041.db2.gz QZMZWKZSOOHUGK-SFHVURJKSA-N 1 3 333.426 3.028 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122248037 1372211726 /nfs/dbraw/zinc/21/17/26/1372211726.db2.gz CCOBPJJPIPQBLJ-UHFFFAOYSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001210180021 1372289126 /nfs/dbraw/zinc/28/91/26/1372289126.db2.gz WLTJBUPVAWINES-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001210180021 1372289131 /nfs/dbraw/zinc/28/91/31/1372289131.db2.gz WLTJBUPVAWINES-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO F[C@@H]1CNCC[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217794769 1373501165 /nfs/dbraw/zinc/50/11/65/1373501165.db2.gz NYUACXSYOSZXST-RTBURBONSA-N 1 3 332.464 3.440 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226766706 1375328704 /nfs/dbraw/zinc/32/87/04/1375328704.db2.gz NSSKCKDIXUCVDT-QZTJIDSGSA-N 1 3 337.552 3.458 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228925685 1375716590 /nfs/dbraw/zinc/71/65/90/1375716590.db2.gz ZNMFRCHXJSUPIH-IPMKNSEASA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228931990 1375718710 /nfs/dbraw/zinc/71/87/10/1375718710.db2.gz ITRVEHGEFXEWQP-GUDVDZBRSA-N 1 3 335.536 3.233 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228932757 1375720276 /nfs/dbraw/zinc/72/02/76/1375720276.db2.gz UZONZGXSOPJDKU-GUDVDZBRSA-N 1 3 335.536 3.233 20 30 EGEDHO C[NH+]1CC2(C1)CCN(Cc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC001139427269 1377882225 /nfs/dbraw/zinc/88/22/25/1377882225.db2.gz AIOKZAHJVGEYFF-UHFFFAOYSA-N 1 3 348.450 3.273 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148386694 1379161938 /nfs/dbraw/zinc/16/19/38/1379161938.db2.gz ZHWVZLRZBIIWPV-RBUKOAKNSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148386694 1379161939 /nfs/dbraw/zinc/16/19/39/1379161939.db2.gz ZHWVZLRZBIIWPV-RBUKOAKNSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580586 1380309869 /nfs/dbraw/zinc/30/98/69/1380309869.db2.gz XVSKCTHODPNWHP-GOSISDBHSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580586 1380309873 /nfs/dbraw/zinc/30/98/73/1380309873.db2.gz XVSKCTHODPNWHP-GOSISDBHSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156305559 1380555197 /nfs/dbraw/zinc/55/51/97/1380555197.db2.gz CMJIJSSSOLICMT-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156305559 1380555200 /nfs/dbraw/zinc/55/52/00/1380555200.db2.gz CMJIJSSSOLICMT-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO CCCCCCCCCCN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161221014 1382347016 /nfs/dbraw/zinc/34/70/16/1382347016.db2.gz HSNVNGMBWZEKRX-SFHVURJKSA-N 1 3 337.552 3.460 20 30 EGEDHO CCCCCCCCCCN(C)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161221014 1382347018 /nfs/dbraw/zinc/34/70/18/1382347018.db2.gz HSNVNGMBWZEKRX-SFHVURJKSA-N 1 3 337.552 3.460 20 30 EGEDHO CN(C)C1(CNc2cc(CC#N)cc3ccccc32)CC[NH+](C)CC1 ZINC001164216665 1383166873 /nfs/dbraw/zinc/16/68/73/1383166873.db2.gz HILVAJFCRRMRKE-UHFFFAOYSA-N 1 3 336.483 3.344 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167261193 1383578022 /nfs/dbraw/zinc/57/80/22/1383578022.db2.gz YWQMYMLYEBZWIN-KRWDZBQOSA-N 1 3 325.541 3.173 20 30 EGEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001167475137 1383645107 /nfs/dbraw/zinc/64/51/07/1383645107.db2.gz WNORZFXESJNKNP-UHFFFAOYSA-N 1 3 343.943 3.127 20 30 EGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCCCCC ZINC001175740706 1385391737 /nfs/dbraw/zinc/39/17/37/1385391737.db2.gz UKGQZZNVWJLRHK-SFHVURJKSA-N 1 3 325.541 3.339 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C)CC1 ZINC001176738717 1385677484 /nfs/dbraw/zinc/67/74/84/1385677484.db2.gz RWRUZRJRSBPGIW-LJQANCHMSA-N 1 3 349.563 3.032 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177317045 1385911595 /nfs/dbraw/zinc/91/15/95/1385911595.db2.gz OAIDRFAAFCTVOQ-FQEVSTJZSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415859 1385948430 /nfs/dbraw/zinc/94/84/30/1385948430.db2.gz MJZFOFDVNBJCHQ-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001177434195 1385956234 /nfs/dbraw/zinc/95/62/34/1385956234.db2.gz SDSRMUGBCBSUOC-HXUWFJFHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177485016 1385974649 /nfs/dbraw/zinc/97/46/49/1385974649.db2.gz OOCHPFUWMKOJQM-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179590296 1386525104 /nfs/dbraw/zinc/52/51/04/1386525104.db2.gz HBLNKUVUIHEKED-IBGZPJMESA-N 1 3 341.515 3.041 20 30 EGEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179590297 1386525182 /nfs/dbraw/zinc/52/51/82/1386525182.db2.gz HBLNKUVUIHEKED-LJQANCHMSA-N 1 3 341.515 3.041 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746680 1387049489 /nfs/dbraw/zinc/04/94/89/1387049489.db2.gz VQDGVQONQXROMK-UYAOXDASSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001481536938 1394395875 /nfs/dbraw/zinc/39/58/75/1394395875.db2.gz XHOZYHQCFHSLTC-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001481536938 1394395881 /nfs/dbraw/zinc/39/58/81/1394395881.db2.gz XHOZYHQCFHSLTC-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706658 1440202872 /nfs/dbraw/zinc/20/28/72/1440202872.db2.gz IPVQXZMVHIQMSG-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706658 1440202873 /nfs/dbraw/zinc/20/28/73/1440202873.db2.gz IPVQXZMVHIQMSG-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752969496 1440254695 /nfs/dbraw/zinc/25/46/95/1440254695.db2.gz SASJCFHKIOMLSI-QZTJIDSGSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001753562604 1440437143 /nfs/dbraw/zinc/43/71/43/1440437143.db2.gz SYCXHVXFEFBHEO-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754807822 1440691505 /nfs/dbraw/zinc/69/15/05/1440691505.db2.gz UIOZNAGXNGOLQX-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001754956304 1440716607 /nfs/dbraw/zinc/71/66/07/1440716607.db2.gz LDEBLKGGLICPIH-UFYCRDLUSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001755342382 1440825696 /nfs/dbraw/zinc/82/56/96/1440825696.db2.gz DDPCMADMQHJKBS-DLBZAZTESA-N 1 3 343.943 3.076 20 30 EGEDHO CC[NH+](CC)CCOCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360885914 276100129 /nfs/dbraw/zinc/10/01/29/276100129.db2.gz SZZOQMVCEPEKJR-FQEVSTJZSA-N 1 3 329.488 3.274 20 30 EGEDHO CC1CCN(CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000066236853 454670171 /nfs/dbraw/zinc/67/01/71/454670171.db2.gz KNDOPYQDOAOJGZ-UHFFFAOYSA-N 1 3 328.504 3.248 20 30 EGEDHO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1C#N ZINC000190994467 455421551 /nfs/dbraw/zinc/42/15/51/455421551.db2.gz ZWAHZZBGFGQBQY-IHWFROFDSA-N 1 3 334.467 3.182 20 30 EGEDHO CCN(CC)C(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000267447619 455551295 /nfs/dbraw/zinc/55/12/95/455551295.db2.gz QLSFSTOGMZALBO-UHFFFAOYSA-N 1 3 336.911 3.209 20 30 EGEDHO Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601534 455764025 /nfs/dbraw/zinc/76/40/25/455764025.db2.gz OKGLUQWIOZYFRJ-MAUKXSAKSA-N 1 3 328.485 3.131 20 30 EGEDHO Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601534 455764027 /nfs/dbraw/zinc/76/40/27/455764027.db2.gz OKGLUQWIOZYFRJ-MAUKXSAKSA-N 1 3 328.485 3.131 20 30 EGEDHO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCCCC1 ZINC000285954168 455948118 /nfs/dbraw/zinc/94/81/18/455948118.db2.gz GJBYICRIOHSHNR-SFHVURJKSA-N 1 3 340.515 3.239 20 30 EGEDHO C=CCC[C@@H]([NH2+]CC1(N)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000423541213 458454952 /nfs/dbraw/zinc/45/49/52/458454952.db2.gz AMHQEGXVKIGVGV-HXUWFJFHSA-N 1 3 327.516 3.314 20 30 EGEDHO C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453391229 458526424 /nfs/dbraw/zinc/52/64/24/458526424.db2.gz SVRLZFXFQJLKII-HNNXBMFYSA-N 1 3 341.430 3.489 20 30 EGEDHO N#C[C@@H]1CC[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000442783363 459035672 /nfs/dbraw/zinc/03/56/72/459035672.db2.gz QAFYFQMYNMOKNJ-WOJBJXKFSA-N 1 3 341.499 3.340 20 30 EGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000595071476 459237691 /nfs/dbraw/zinc/23/76/91/459237691.db2.gz ZZGYSQKCPAZRLV-QFIPXVFZSA-N 1 3 346.478 3.442 20 30 EGEDHO CC1CC[NH+](Cc2ccccc2CNC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598716178 460003130 /nfs/dbraw/zinc/00/31/30/460003130.db2.gz ZFLHEXWUXCOVEF-FQEVSTJZSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000602647207 460042085 /nfs/dbraw/zinc/04/20/85/460042085.db2.gz WWBMDQQCYNFUNI-PKOBYXMFSA-N 1 3 333.520 3.472 20 30 EGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000657969048 462331891 /nfs/dbraw/zinc/33/18/91/462331891.db2.gz IMKPJTOXKPYGSJ-DUXKGJEZSA-N 1 3 328.500 3.478 20 30 EGEDHO C=CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000661754873 462398883 /nfs/dbraw/zinc/39/88/83/462398883.db2.gz DUTUNNSRCBIFRV-UHFFFAOYSA-N 1 3 343.515 3.185 20 30 EGEDHO C[NH+](C)CCOc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000126031304 1293522828 /nfs/dbraw/zinc/52/28/28/1293522828.db2.gz VIVKIKCAYIIURB-UHFFFAOYSA-N 1 3 349.478 3.341 20 30 EGEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000328253400 1297256118 /nfs/dbraw/zinc/25/61/18/1297256118.db2.gz JQKXZZYWTNDYEH-GFCCVEGCSA-N 1 3 327.241 3.194 20 30 EGEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000328253400 1297256114 /nfs/dbraw/zinc/25/61/14/1297256114.db2.gz JQKXZZYWTNDYEH-GFCCVEGCSA-N 1 3 327.241 3.194 20 30 EGEDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513732 1298240779 /nfs/dbraw/zinc/24/07/79/1298240779.db2.gz PEQAOCLLSYRKAQ-MAUKXSAKSA-N 1 3 325.481 3.477 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957563270 1317460772 /nfs/dbraw/zinc/46/07/72/1317460772.db2.gz DEYIOVHMMWOUDF-IBGZPJMESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCOc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1OC ZINC000841036813 1321205744 /nfs/dbraw/zinc/20/57/44/1321205744.db2.gz UVIXZJOTKVZRKA-UHFFFAOYSA-N 1 3 326.440 3.051 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031335 1332482107 /nfs/dbraw/zinc/48/21/07/1332482107.db2.gz ZVKAMCITCVZWSK-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031335 1332482111 /nfs/dbraw/zinc/48/21/11/1332482111.db2.gz ZVKAMCITCVZWSK-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969156521 1336165573 /nfs/dbraw/zinc/16/55/73/1336165573.db2.gz VOWFFNXRANXYIE-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969156521 1336165574 /nfs/dbraw/zinc/16/55/74/1336165574.db2.gz VOWFFNXRANXYIE-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862256 1338751523 /nfs/dbraw/zinc/75/15/23/1338751523.db2.gz UYPQNFACVAENFX-MOPGFXCFSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001034775341 1342753161 /nfs/dbraw/zinc/75/31/61/1342753161.db2.gz LJHVHWBQSGYYBM-FHWLQOOXSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287533 1345694790 /nfs/dbraw/zinc/69/47/90/1345694790.db2.gz QXAIQHBJPXHMFP-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287533 1345694793 /nfs/dbraw/zinc/69/47/93/1345694793.db2.gz QXAIQHBJPXHMFP-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937797 1346774647 /nfs/dbraw/zinc/77/46/47/1346774647.db2.gz KPJJEHJGKXVSAX-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937797 1346774650 /nfs/dbraw/zinc/77/46/50/1346774650.db2.gz KPJJEHJGKXVSAX-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049760671 1348005526 /nfs/dbraw/zinc/00/55/26/1348005526.db2.gz AXXJZFKGZIOIBN-HSALFYBXSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049760671 1348005527 /nfs/dbraw/zinc/00/55/27/1348005527.db2.gz AXXJZFKGZIOIBN-HSALFYBXSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049834537 1348047753 /nfs/dbraw/zinc/04/77/53/1348047753.db2.gz BNQHLRZOWRCCDR-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049834537 1348047757 /nfs/dbraw/zinc/04/77/57/1348047757.db2.gz BNQHLRZOWRCCDR-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245320 1349239755 /nfs/dbraw/zinc/23/97/55/1349239755.db2.gz RMHZTXOOPUTICY-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245320 1349239759 /nfs/dbraw/zinc/23/97/59/1349239759.db2.gz RMHZTXOOPUTICY-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458318 1356390079 /nfs/dbraw/zinc/39/00/79/1356390079.db2.gz BYRYJUKXOPQADY-UYAOXDASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458318 1356390084 /nfs/dbraw/zinc/39/00/84/1356390084.db2.gz BYRYJUKXOPQADY-UYAOXDASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636453 1359565771 /nfs/dbraw/zinc/56/57/71/1359565771.db2.gz QWIGRYLPWPUKBZ-IPMKNSEASA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636453 1359565773 /nfs/dbraw/zinc/56/57/73/1359565773.db2.gz QWIGRYLPWPUKBZ-IPMKNSEASA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088811876 1360060445 /nfs/dbraw/zinc/06/04/45/1360060445.db2.gz AHHGXLOGTMBOTK-HOJAQTOUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088811876 1360060448 /nfs/dbraw/zinc/06/04/48/1360060448.db2.gz AHHGXLOGTMBOTK-HOJAQTOUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379930 1360382691 /nfs/dbraw/zinc/38/26/91/1360382691.db2.gz APBZEJMPJZLMDJ-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379930 1360382693 /nfs/dbraw/zinc/38/26/93/1360382693.db2.gz APBZEJMPJZLMDJ-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400588 1360400121 /nfs/dbraw/zinc/40/01/21/1360400121.db2.gz JTGSKQNCXWWROR-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400588 1360400122 /nfs/dbraw/zinc/40/01/22/1360400122.db2.gz JTGSKQNCXWWROR-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509418 1360480762 /nfs/dbraw/zinc/48/07/62/1360480762.db2.gz BRTHLJJZKWKQJF-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509418 1360480763 /nfs/dbraw/zinc/48/07/63/1360480763.db2.gz BRTHLJJZKWKQJF-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536697 1360495865 /nfs/dbraw/zinc/49/58/65/1360495865.db2.gz FJGXVENMXIMNGP-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536697 1360495869 /nfs/dbraw/zinc/49/58/69/1360495869.db2.gz FJGXVENMXIMNGP-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638979 1360552389 /nfs/dbraw/zinc/55/23/89/1360552389.db2.gz KUZSVQCVKTXKGH-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638979 1360552391 /nfs/dbraw/zinc/55/23/91/1360552391.db2.gz KUZSVQCVKTXKGH-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684027 1360589722 /nfs/dbraw/zinc/58/97/22/1360589722.db2.gz MSPPLXCLFQPKQT-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684027 1360589724 /nfs/dbraw/zinc/58/97/24/1360589724.db2.gz MSPPLXCLFQPKQT-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578896 1387497438 /nfs/dbraw/zinc/49/74/38/1387497438.db2.gz ZXFDYCISTZIEQW-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099131028 1363643607 /nfs/dbraw/zinc/64/36/07/1363643607.db2.gz VNSUCHGSBBWRBD-KRWDZBQOSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099131028 1363643610 /nfs/dbraw/zinc/64/36/10/1363643610.db2.gz VNSUCHGSBBWRBD-KRWDZBQOSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099131029 1363643785 /nfs/dbraw/zinc/64/37/85/1363643785.db2.gz VNSUCHGSBBWRBD-QGZVFWFLSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099131029 1363643789 /nfs/dbraw/zinc/64/37/89/1363643789.db2.gz VNSUCHGSBBWRBD-QGZVFWFLSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001099228920 1363702026 /nfs/dbraw/zinc/70/20/26/1363702026.db2.gz CZKAITHZDYTDFL-QZTJIDSGSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001099228920 1363702029 /nfs/dbraw/zinc/70/20/29/1363702029.db2.gz CZKAITHZDYTDFL-QZTJIDSGSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348708 1363764947 /nfs/dbraw/zinc/76/49/47/1363764947.db2.gz KZKXOOPMIYEIJZ-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100320736 1364079758 /nfs/dbraw/zinc/07/97/58/1364079758.db2.gz QCGMXMBLXWPSOX-ACBHZAAOSA-N 1 3 337.552 3.314 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100456793 1364120496 /nfs/dbraw/zinc/12/04/96/1364120496.db2.gz BVABPWWTXXQINO-UHFFFAOYSA-N 1 3 325.541 3.172 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001101025191 1364379973 /nfs/dbraw/zinc/37/99/73/1364379973.db2.gz ZHRFIPFYCOTAOS-VQSBYGRUSA-N 1 3 343.515 3.201 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001101574969 1364629253 /nfs/dbraw/zinc/62/92/53/1364629253.db2.gz NIXHACSJSPVDKU-UHFFFAOYSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753447 1366157294 /nfs/dbraw/zinc/15/72/94/1366157294.db2.gz BHUKUMHBAYTMIO-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544112 1366521329 /nfs/dbraw/zinc/52/13/29/1366521329.db2.gz ASMHDJPHJZEWNE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566496 1366534745 /nfs/dbraw/zinc/53/47/45/1366534745.db2.gz OGZUENLPZZNGJJ-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582979 1367057295 /nfs/dbraw/zinc/05/72/95/1367057295.db2.gz JCJASFQIMQRVQZ-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582979 1367057300 /nfs/dbraw/zinc/05/73/00/1367057300.db2.gz JCJASFQIMQRVQZ-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266768 1368219674 /nfs/dbraw/zinc/21/96/74/1368219674.db2.gz ZYAXHTBLCVDVLD-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266768 1368219675 /nfs/dbraw/zinc/21/96/75/1368219675.db2.gz ZYAXHTBLCVDVLD-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001195846268 1368502685 /nfs/dbraw/zinc/50/26/85/1368502685.db2.gz SQTVVMRGCUEJMG-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001195846268 1368502692 /nfs/dbraw/zinc/50/26/92/1368502692.db2.gz SQTVVMRGCUEJMG-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186605774 1387985049 /nfs/dbraw/zinc/98/50/49/1387985049.db2.gz UIZOAESBHNRMHD-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186605774 1387985052 /nfs/dbraw/zinc/98/50/52/1387985052.db2.gz UIZOAESBHNRMHD-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202928327 1369928497 /nfs/dbraw/zinc/92/84/97/1369928497.db2.gz FCQDPLGJWLDNGB-QZTJIDSGSA-N 1 3 347.547 3.234 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648278 1370637311 /nfs/dbraw/zinc/63/73/11/1370637311.db2.gz IFGDSNFJZPGMRG-IBGZPJMESA-N 1 3 347.547 3.236 20 30 EGEDHO C[C@H]1CCN(Cc2ccc(C#N)cc2Br)CC[C@H]1C[NH3+] ZINC001205617473 1370813345 /nfs/dbraw/zinc/81/33/45/1370813345.db2.gz KENVZLIQEPEHGC-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@@H]1CCN(Cc2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205654489 1370829691 /nfs/dbraw/zinc/82/96/91/1370829691.db2.gz XALKCAWJTGSFLK-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CCC[C@H]1C[NH3+] ZINC001205995470 1370933417 /nfs/dbraw/zinc/93/34/17/1370933417.db2.gz OILSHKWXQQYXHI-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@H]1CN(Cc2ccc(Br)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206011475 1370938069 /nfs/dbraw/zinc/93/80/69/1370938069.db2.gz CPYZQCCTXWAWPV-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C#N)c(Br)c2)CC1 ZINC001206327866 1371025206 /nfs/dbraw/zinc/02/52/06/1371025206.db2.gz ZGGLXDNPDZAOMF-MRXNPFEDSA-N 1 3 336.277 3.272 20 30 EGEDHO C[NH+]1CCC(CCN2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001207487986 1371411510 /nfs/dbraw/zinc/41/15/10/1371411510.db2.gz AREPISYBPZARFX-UHFFFAOYSA-N 1 3 329.463 3.415 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208014401 1371568747 /nfs/dbraw/zinc/56/87/47/1371568747.db2.gz QBYXTBXTSMXDEJ-MOPGFXCFSA-N 1 3 337.552 3.410 20 30 EGEDHO C[N@@H+]1CCC[C@H](CN2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615621 1371841483 /nfs/dbraw/zinc/84/14/83/1371841483.db2.gz IJUWKEFEHSZDRM-HNNXBMFYSA-N 1 3 347.890 3.397 20 30 EGEDHO C[N@H+]1CCC[C@H](CN2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615621 1371841487 /nfs/dbraw/zinc/84/14/87/1371841487.db2.gz IJUWKEFEHSZDRM-HNNXBMFYSA-N 1 3 347.890 3.397 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241681 1372509833 /nfs/dbraw/zinc/50/98/33/1372509833.db2.gz WJDIMWAVPRNHGO-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226799914 1375338769 /nfs/dbraw/zinc/33/87/69/1375338769.db2.gz GLJBZWWLVIMXFA-GUDVDZBRSA-N 1 3 337.552 3.314 20 30 EGEDHO C=C[C@H](CC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160010 1375400199 /nfs/dbraw/zinc/40/01/99/1375400199.db2.gz AXJDSEGLHWPDRZ-LJQANCHMSA-N 1 3 333.520 3.215 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887215 1375625346 /nfs/dbraw/zinc/62/53/46/1375625346.db2.gz CVIAZLXYOMCIJR-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228931992 1375719286 /nfs/dbraw/zinc/71/92/86/1375719286.db2.gz ITRVEHGEFXEWQP-QRVBRYPASA-N 1 3 335.536 3.233 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133122639 1375787881 /nfs/dbraw/zinc/78/78/81/1375787881.db2.gz SJKBNQXWIDMIPR-ZWKOTPCHSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337135 1375929938 /nfs/dbraw/zinc/92/99/38/1375929938.db2.gz JFXKADZYKPEVJS-PXNSSMCTSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCn1cc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001139772134 1377948830 /nfs/dbraw/zinc/94/88/30/1377948830.db2.gz ABMPLCPQXHIQIV-UHFFFAOYSA-N 1 3 338.499 3.413 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582168 1378870891 /nfs/dbraw/zinc/87/08/91/1378870891.db2.gz FINLAHAQYNLXOR-IAGOWNOFSA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001755342385 1440825721 /nfs/dbraw/zinc/82/57/21/1440825721.db2.gz DDPCMADMQHJKBS-SJORKVTESA-N 1 3 343.943 3.076 20 30 EGEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480259 1381262027 /nfs/dbraw/zinc/26/20/27/1381262027.db2.gz KXMZRQWEBNVPKM-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480259 1381262028 /nfs/dbraw/zinc/26/20/28/1381262028.db2.gz KXMZRQWEBNVPKM-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518185 1382129244 /nfs/dbraw/zinc/12/92/44/1382129244.db2.gz IQGVEENXIQICIV-KRWDZBQOSA-N 1 3 335.536 3.210 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001160518185 1382129249 /nfs/dbraw/zinc/12/92/49/1382129249.db2.gz IQGVEENXIQICIV-KRWDZBQOSA-N 1 3 335.536 3.210 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536679 1383197338 /nfs/dbraw/zinc/19/73/38/1383197338.db2.gz PLXFBJAJRJULFP-SFHVURJKSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248350 1384478300 /nfs/dbraw/zinc/47/83/00/1384478300.db2.gz SZUIADZIGATEBQ-IEBWSBKVSA-N 1 3 337.552 3.338 20 30 EGEDHO COCCCN1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001172250945 1384756093 /nfs/dbraw/zinc/75/60/93/1384756093.db2.gz WPMRBKFMGVVSNN-UHFFFAOYSA-N 1 3 341.499 3.045 20 30 EGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262179 1385232877 /nfs/dbraw/zinc/23/28/77/1385232877.db2.gz CPZZEKCYBJOURK-QFBILLFUSA-N 1 3 341.515 3.040 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001754342764 1440588693 /nfs/dbraw/zinc/58/86/93/1440588693.db2.gz YNEMKRLCPYLBMC-OALUTQOASA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001754956322 1440716600 /nfs/dbraw/zinc/71/66/00/1440716600.db2.gz LPRXFXLJENKODD-IYARVYRRSA-N 1 3 337.552 3.195 20 30 EGEDHO N#Cc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000066971953 453891688 /nfs/dbraw/zinc/89/16/88/453891688.db2.gz PTQPPIQGLLQNMZ-UHFFFAOYSA-N 1 3 335.451 3.323 20 30 EGEDHO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCN(CC)C2)ccc1OC ZINC000057970084 454158542 /nfs/dbraw/zinc/15/85/42/454158542.db2.gz SQQOGVDBWNPPLO-SFHVURJKSA-N 1 3 332.488 3.472 20 30 EGEDHO C#CCCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000172116554 455123942 /nfs/dbraw/zinc/12/39/42/455123942.db2.gz XOBPTQHKVQGHGP-RTBURBONSA-N 1 3 344.499 3.068 20 30 EGEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)Nc1ccccc1 ZINC000264073074 455189648 /nfs/dbraw/zinc/18/96/48/455189648.db2.gz DTNKRXJPMXQFGE-UHFFFAOYSA-N 1 3 328.485 3.387 20 30 EGEDHO C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185665455 455592668 /nfs/dbraw/zinc/59/26/68/455592668.db2.gz OYJOPXZMRUSGNP-WMZOPIPTSA-N 1 3 327.472 3.180 20 30 EGEDHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000278760368 455847166 /nfs/dbraw/zinc/84/71/66/455847166.db2.gz OOBOBLZGTSVLJF-FXAWDEMLSA-N 1 3 327.472 3.100 20 30 EGEDHO C=CCOc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000195250632 455937143 /nfs/dbraw/zinc/93/71/43/455937143.db2.gz YKLCNQNZPSGTGF-ROUUACIJSA-N 1 3 332.488 3.230 20 30 EGEDHO CN(C)C(=[NH+]CC1CCN(Cc2ccccc2Cl)CC1)N(C)C ZINC000262532197 456042288 /nfs/dbraw/zinc/04/22/88/456042288.db2.gz NWQNXNOEDINPIH-UHFFFAOYSA-N 1 3 336.911 3.031 20 30 EGEDHO C=CCN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272700885 456044038 /nfs/dbraw/zinc/04/40/38/456044038.db2.gz YOXNPDGKLOUXLL-QUCCMNQESA-N 1 3 327.516 3.137 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000358141401 457811168 /nfs/dbraw/zinc/81/11/68/457811168.db2.gz OWRJGFPPNABCMO-FUFFSDJGSA-N 1 3 339.483 3.465 20 30 EGEDHO CN1CCN(CC2(C)CC[NH+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411525292 457911094 /nfs/dbraw/zinc/91/10/94/457911094.db2.gz MGZCZUCIXSDYBD-UHFFFAOYSA-N 1 3 346.563 3.200 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424141464 458569129 /nfs/dbraw/zinc/56/91/29/458569129.db2.gz XFVZDULFCWJGQG-QAPCUYQASA-N 1 3 328.460 3.021 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424141464 458569133 /nfs/dbraw/zinc/56/91/33/458569133.db2.gz XFVZDULFCWJGQG-QAPCUYQASA-N 1 3 328.460 3.021 20 30 EGEDHO COc1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000440830183 458859081 /nfs/dbraw/zinc/85/90/81/458859081.db2.gz XJIFMQSBJKENFX-IAGOWNOFSA-N 1 3 329.488 3.415 20 30 EGEDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000567315822 459084156 /nfs/dbraw/zinc/08/41/56/459084156.db2.gz FKGFXNAIOQCGTN-JOCHJYFZSA-N 1 3 349.478 3.318 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000602593802 460014016 /nfs/dbraw/zinc/01/40/16/460014016.db2.gz PBIYFPFGQWPCTE-GOSISDBHSA-N 1 3 341.499 3.471 20 30 EGEDHO C=CCC1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000619111332 460272616 /nfs/dbraw/zinc/27/26/16/460272616.db2.gz ZJWIZUCLNZPHJT-UHFFFAOYSA-N 1 3 347.547 3.188 20 30 EGEDHO CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](CCCOC)CC2)c([O-])c1 ZINC000255205930 1296508921 /nfs/dbraw/zinc/50/89/21/1296508921.db2.gz FUJZVTVGWLCALG-PGMHBOJBSA-N 1 3 347.503 3.158 20 30 EGEDHO C=CCc1cc(C[NH2+]C2CCN(CCC)CC2)cc(OC)c1OC ZINC000775402645 1303957583 /nfs/dbraw/zinc/95/75/83/1303957583.db2.gz AMHOINATBLUNHV-UHFFFAOYSA-N 1 3 332.488 3.396 20 30 EGEDHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902871411 1317624990 /nfs/dbraw/zinc/62/49/90/1317624990.db2.gz NWPKVSLJTHOQCU-FUHIMQAGSA-N 1 3 329.488 3.488 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086711 1321025449 /nfs/dbraw/zinc/02/54/49/1321025449.db2.gz OMTPJVFUPUGSHH-OAQYLSRUSA-N 1 3 344.499 3.437 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086711 1321025454 /nfs/dbraw/zinc/02/54/54/1321025454.db2.gz OMTPJVFUPUGSHH-OAQYLSRUSA-N 1 3 344.499 3.437 20 30 EGEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924694926 1323116673 /nfs/dbraw/zinc/11/66/73/1323116673.db2.gz OYRQAHZXDYKSAE-SFHVURJKSA-N 1 3 342.531 3.242 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257657 1324064653 /nfs/dbraw/zinc/06/46/53/1324064653.db2.gz FQUDRQNPUGLJBH-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257657 1324064658 /nfs/dbraw/zinc/06/46/58/1324064658.db2.gz FQUDRQNPUGLJBH-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037980904 1344217741 /nfs/dbraw/zinc/21/77/41/1344217741.db2.gz BGMSMELPHCNZOU-UYAOXDASSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045940602 1346776298 /nfs/dbraw/zinc/77/62/98/1346776298.db2.gz BFCRKVDJWAJEBK-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045940602 1346776300 /nfs/dbraw/zinc/77/63/00/1346776300.db2.gz BFCRKVDJWAJEBK-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045972765 1346808262 /nfs/dbraw/zinc/80/82/62/1346808262.db2.gz ICAYNUSVEAUDIM-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045972765 1346808268 /nfs/dbraw/zinc/80/82/68/1346808268.db2.gz ICAYNUSVEAUDIM-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253694 1347277665 /nfs/dbraw/zinc/27/76/65/1347277665.db2.gz GXQMNACLUOOTFZ-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837813 1348050121 /nfs/dbraw/zinc/05/01/21/1348050121.db2.gz RUGKZWMPRHJPRM-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837813 1348050125 /nfs/dbraw/zinc/05/01/25/1348050125.db2.gz RUGKZWMPRHJPRM-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906788 1348104888 /nfs/dbraw/zinc/10/48/88/1348104888.db2.gz AHZFOEPNYMEYFK-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906788 1348104889 /nfs/dbraw/zinc/10/48/89/1348104889.db2.gz AHZFOEPNYMEYFK-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858573 1348705535 /nfs/dbraw/zinc/70/55/35/1348705535.db2.gz FKLIUIQBFOZNSG-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858573 1348705537 /nfs/dbraw/zinc/70/55/37/1348705537.db2.gz FKLIUIQBFOZNSG-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264964 1349262870 /nfs/dbraw/zinc/26/28/70/1349262870.db2.gz XQAAPDGTTGFYHI-FQEVSTJZSA-N 1 3 341.499 3.067 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264964 1349262872 /nfs/dbraw/zinc/26/28/72/1349262872.db2.gz XQAAPDGTTGFYHI-FQEVSTJZSA-N 1 3 341.499 3.067 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001080755973 1357733493 /nfs/dbraw/zinc/73/34/93/1357733493.db2.gz DIKMDGLTADPHCA-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001080755973 1357733498 /nfs/dbraw/zinc/73/34/98/1357733498.db2.gz DIKMDGLTADPHCA-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1CCCC ZINC001085389380 1358486260 /nfs/dbraw/zinc/48/62/60/1358486260.db2.gz GSGWAUIPEUCBIG-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400584 1360400183 /nfs/dbraw/zinc/40/01/83/1360400183.db2.gz JTGSKQNCXWWROR-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400584 1360400184 /nfs/dbraw/zinc/40/01/84/1360400184.db2.gz JTGSKQNCXWWROR-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649502 1360562920 /nfs/dbraw/zinc/56/29/20/1360562920.db2.gz KLCGBSIFZWVUGJ-RBUKOAKNSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649502 1360562923 /nfs/dbraw/zinc/56/29/23/1360562923.db2.gz KLCGBSIFZWVUGJ-RBUKOAKNSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001101571478 1364626422 /nfs/dbraw/zinc/62/64/22/1364626422.db2.gz ZORWNCACSWGTLZ-GOSISDBHSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357296 1387691323 /nfs/dbraw/zinc/69/13/23/1387691323.db2.gz BYQPVXGERWSJDB-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495658 1365596895 /nfs/dbraw/zinc/59/68/95/1365596895.db2.gz MPNGVJOTHZCMTL-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495658 1365596898 /nfs/dbraw/zinc/59/68/98/1365596898.db2.gz MPNGVJOTHZCMTL-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495853 1365597110 /nfs/dbraw/zinc/59/71/10/1365597110.db2.gz VZZCYLDFHXOPDL-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495853 1365597113 /nfs/dbraw/zinc/59/71/13/1365597113.db2.gz VZZCYLDFHXOPDL-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755498 1365766359 /nfs/dbraw/zinc/76/63/59/1365766359.db2.gz JPNMYTBEWQFDRR-RTBURBONSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755498 1365766360 /nfs/dbraw/zinc/76/63/60/1365766360.db2.gz JPNMYTBEWQFDRR-RTBURBONSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565990 1366534292 /nfs/dbraw/zinc/53/42/92/1366534292.db2.gz CZCAKEVWWVTQLG-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454659 1366969021 /nfs/dbraw/zinc/96/90/21/1366969021.db2.gz JJRXYEVZTACMQN-YLJYHZDGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454659 1366969022 /nfs/dbraw/zinc/96/90/22/1366969022.db2.gz JJRXYEVZTACMQN-YLJYHZDGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397282 1368822644 /nfs/dbraw/zinc/82/26/44/1368822644.db2.gz ZTNZHGZNDCUCPW-HBFSDRIKSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586350 1368938216 /nfs/dbraw/zinc/93/82/16/1368938216.db2.gz VKPFYAJYRKJGBL-FPOVZHCZSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156641 1369233441 /nfs/dbraw/zinc/23/34/41/1369233441.db2.gz PQPNGOGKEZEGFL-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156641 1369233446 /nfs/dbraw/zinc/23/34/46/1369233446.db2.gz PQPNGOGKEZEGFL-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527056 1369799600 /nfs/dbraw/zinc/79/96/00/1369799600.db2.gz WFJJGWBOFDLERD-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105357 1369985443 /nfs/dbraw/zinc/98/54/43/1369985443.db2.gz XHDHEBYLLQNJTJ-ZWKOTPCHSA-N 1 3 349.563 3.480 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203902645 1370307432 /nfs/dbraw/zinc/30/74/32/1370307432.db2.gz HJIJLTMBVLGLBL-LJQANCHMSA-N 1 3 337.552 3.412 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208248 1371504914 /nfs/dbraw/zinc/50/49/14/1371504914.db2.gz XDWVSOXATXAPQW-LJQANCHMSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208393 1371504980 /nfs/dbraw/zinc/50/49/80/1371504980.db2.gz YJFLKORBJFLBQJ-IBGZPJMESA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001121112880 1371856534 /nfs/dbraw/zinc/85/65/34/1371856534.db2.gz ZURKBNWNJOPDON-UHFFFAOYSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209160744 1372018628 /nfs/dbraw/zinc/01/86/28/1372018628.db2.gz BLBOMEOKUFFHCL-SFTDATJTSA-N 1 3 332.532 3.413 20 30 EGEDHO C=CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209160744 1372018631 /nfs/dbraw/zinc/01/86/31/1372018631.db2.gz BLBOMEOKUFFHCL-SFTDATJTSA-N 1 3 332.532 3.413 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828550 1373348502 /nfs/dbraw/zinc/34/85/02/1373348502.db2.gz JICOXLHFNNUPTG-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887216 1375625983 /nfs/dbraw/zinc/62/59/83/1375625983.db2.gz CVIAZLXYOMCIJR-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185854 1375829816 /nfs/dbraw/zinc/82/98/16/1375829816.db2.gz JZNHTQSBPWBXFD-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001230359939 1376008188 /nfs/dbraw/zinc/00/81/88/1376008188.db2.gz LQEFSHXKEZTJDP-QGZVFWFLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772499 1376712002 /nfs/dbraw/zinc/71/20/02/1376712002.db2.gz FBORGRBHNIJZGS-IRXDYDNUSA-N 1 3 325.541 3.336 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146581012 1378871055 /nfs/dbraw/zinc/87/10/55/1378871055.db2.gz BPAAYAFZSSUQHR-DLBZAZTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069393 1380198750 /nfs/dbraw/zinc/19/87/50/1380198750.db2.gz BXSJRXOINKFGEG-QGZVFWFLSA-N 1 3 325.541 3.290 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069393 1380198754 /nfs/dbraw/zinc/19/87/54/1380198754.db2.gz BXSJRXOINKFGEG-QGZVFWFLSA-N 1 3 325.541 3.290 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227333 1380426818 /nfs/dbraw/zinc/42/68/18/1380426818.db2.gz ZIDOKGODAIPZRW-ZWKOTPCHSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227333 1380426819 /nfs/dbraw/zinc/42/68/19/1380426819.db2.gz ZIDOKGODAIPZRW-ZWKOTPCHSA-N 1 3 325.541 3.268 20 30 EGEDHO CN(C)/C=N/c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1C#N ZINC001162815948 1382884458 /nfs/dbraw/zinc/88/44/58/1382884458.db2.gz SDGONGAKQSGBFI-ZVHZXABRSA-N 1 3 333.439 3.037 20 30 EGEDHO CN(C)/C=[NH+]/c1ccc(N[C@H]2CNCc3ccsc32)cc1C#N ZINC001163231571 1383001275 /nfs/dbraw/zinc/00/12/75/1383001275.db2.gz WUSYFTCCFVHWLU-YODDIOPGSA-N 1 3 325.441 3.098 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536598 1383197482 /nfs/dbraw/zinc/19/74/82/1383197482.db2.gz NQGFSQANILVTDR-UHFFFAOYSA-N 1 3 335.536 3.093 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240973 1383573074 /nfs/dbraw/zinc/57/30/74/1383573074.db2.gz XVNGNXZNIKPHRZ-QGZVFWFLSA-N 1 3 337.552 3.195 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901366 1383768021 /nfs/dbraw/zinc/76/80/21/1383768021.db2.gz TVOVHPDEEQZYJA-UHFFFAOYSA-N 1 3 334.508 3.107 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754138 1385684212 /nfs/dbraw/zinc/68/42/12/1385684212.db2.gz RLOQWZXKBZKQOM-GOSISDBHSA-N 1 3 325.541 3.338 20 30 EGEDHO CCCCCCC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180158678 1386717028 /nfs/dbraw/zinc/71/70/28/1386717028.db2.gz PBAQEVZVJNMMHV-UHFFFAOYSA-N 1 3 336.524 3.497 20 30 EGEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001700446193 1414022275 /nfs/dbraw/zinc/02/22/75/1414022275.db2.gz KFBBSSCCNQMOBL-INIZCTEOSA-N 1 3 343.943 3.076 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001753282095 1440347780 /nfs/dbraw/zinc/34/77/80/1440347780.db2.gz ACFLBDZAQXIAOI-IEBWSBKVSA-N 1 3 335.536 3.044 20 30 EGEDHO C[C@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000285494505 267151414 /nfs/dbraw/zinc/15/14/14/267151414.db2.gz ANTCRRVIQYSQFN-GOSISDBHSA-N 1 3 340.515 3.381 20 30 EGEDHO CN(C)CC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725742 454333372 /nfs/dbraw/zinc/33/33/72/454333372.db2.gz KLSZLECTZIGTRY-UHFFFAOYSA-N 1 3 339.487 3.141 20 30 EGEDHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1OCCCC#N ZINC000064613276 454494068 /nfs/dbraw/zinc/49/40/68/454494068.db2.gz YFBKPSONKGCIIB-UHFFFAOYSA-N 1 3 333.476 3.055 20 30 EGEDHO C#CCOc1ccccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000180274815 455154165 /nfs/dbraw/zinc/15/41/65/455154165.db2.gz HUHKTSXSMMTNSU-UHFFFAOYSA-N 1 3 335.451 3.100 20 30 EGEDHO C=CCOc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000195250641 455937155 /nfs/dbraw/zinc/93/71/55/455937155.db2.gz YKLCNQNZPSGTGF-QZTJIDSGSA-N 1 3 332.488 3.230 20 30 EGEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000328715695 456744283 /nfs/dbraw/zinc/74/42/83/456744283.db2.gz ONLHJTNWCRZCJJ-UHFFFAOYSA-N 1 3 334.489 3.402 20 30 EGEDHO C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000344770957 456856965 /nfs/dbraw/zinc/85/69/65/456856965.db2.gz JIBRQVZFBRKSEF-PKOBYXMFSA-N 1 3 339.483 3.092 20 30 EGEDHO C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000344770957 456856972 /nfs/dbraw/zinc/85/69/72/456856972.db2.gz JIBRQVZFBRKSEF-PKOBYXMFSA-N 1 3 339.483 3.092 20 30 EGEDHO CC(C#N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000345859569 457002421 /nfs/dbraw/zinc/00/24/21/457002421.db2.gz OBQCUONPIYODJJ-LBPRGKRZSA-N 1 3 342.270 3.433 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357054508 457301556 /nfs/dbraw/zinc/30/15/56/457301556.db2.gz QFLVHWDLJGFEEQ-GOSISDBHSA-N 1 3 330.472 3.082 20 30 EGEDHO CC[N@H+](CCC1CCN(Cc2cc(C#N)n(C)c2)CC1)CC1CC1 ZINC000361551553 457790302 /nfs/dbraw/zinc/79/03/02/457790302.db2.gz WCBFCJIGJVBJSS-UHFFFAOYSA-N 1 3 328.504 3.231 20 30 EGEDHO CC[N@@H+](CCC1CCN(Cc2cc(C#N)n(C)c2)CC1)CC1CC1 ZINC000361551553 457790310 /nfs/dbraw/zinc/79/03/10/457790310.db2.gz WCBFCJIGJVBJSS-UHFFFAOYSA-N 1 3 328.504 3.231 20 30 EGEDHO COc1cc(C#N)ccc1OCCN(C)CCCC[NH+]1CCCCC1 ZINC000603112365 460245304 /nfs/dbraw/zinc/24/53/04/460245304.db2.gz XMRDETQZHBBFLB-UHFFFAOYSA-N 1 3 345.487 3.144 20 30 EGEDHO C=CCCC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654984351 462440827 /nfs/dbraw/zinc/44/08/27/462440827.db2.gz AWHNLVJQOUKPEG-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178035992 1294712460 /nfs/dbraw/zinc/71/24/60/1294712460.db2.gz KWOFJJWEUOOUDL-QRVBRYPASA-N 1 3 344.499 3.239 20 30 EGEDHO C[C@]1(CNC[C@H](O)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311840345 1297110113 /nfs/dbraw/zinc/11/01/13/1297110113.db2.gz UFHUUMGMUXKREG-FCHUYYIVSA-N 1 3 349.478 3.093 20 30 EGEDHO C[C@]1(CNC[C@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840345 1297110116 /nfs/dbraw/zinc/11/01/16/1297110116.db2.gz UFHUUMGMUXKREG-FCHUYYIVSA-N 1 3 349.478 3.093 20 30 EGEDHO C=C(C[NH+](C)C)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000764474439 1302068424 /nfs/dbraw/zinc/06/84/24/1302068424.db2.gz ZTVHEGRYMRLAPA-HXUWFJFHSA-N 1 3 343.515 3.007 20 30 EGEDHO C#Cc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000825226388 1320319530 /nfs/dbraw/zinc/31/95/30/1320319530.db2.gz GPKOMZAJHAWZPB-UHFFFAOYSA-N 1 3 347.506 3.488 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627615 1324479054 /nfs/dbraw/zinc/47/90/54/1324479054.db2.gz ADHQUIRQZWDUPZ-QZTJIDSGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627615 1324479056 /nfs/dbraw/zinc/47/90/56/1324479056.db2.gz ADHQUIRQZWDUPZ-QZTJIDSGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000964015566 1325476169 /nfs/dbraw/zinc/47/61/69/1325476169.db2.gz VFXGJJFXBLIBLZ-ACBHZAAOSA-N 1 3 335.536 3.185 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620932 1338667230 /nfs/dbraw/zinc/66/72/30/1338667230.db2.gz NCJLFIJPLBBMLW-GOSISDBHSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016862320 1338751427 /nfs/dbraw/zinc/75/14/27/1338751427.db2.gz WCVQHPZXKZYWLH-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016924234 1338771492 /nfs/dbraw/zinc/77/14/92/1338771492.db2.gz SISRAOSYTBXJGQ-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034437561 1342499114 /nfs/dbraw/zinc/49/91/14/1342499114.db2.gz HJOKZYBVJPSMLJ-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034437561 1342499116 /nfs/dbraw/zinc/49/91/16/1342499116.db2.gz HJOKZYBVJPSMLJ-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942799 1346778838 /nfs/dbraw/zinc/77/88/38/1346778838.db2.gz ZYBWFDDZFXLMQR-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942799 1346778841 /nfs/dbraw/zinc/77/88/41/1346778841.db2.gz ZYBWFDDZFXLMQR-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049834539 1348048062 /nfs/dbraw/zinc/04/80/62/1348048062.db2.gz BNQHLRZOWRCCDR-ZCNNSNEGSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049834539 1348048063 /nfs/dbraw/zinc/04/80/63/1348048063.db2.gz BNQHLRZOWRCCDR-ZCNNSNEGSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376861 1348535042 /nfs/dbraw/zinc/53/50/42/1348535042.db2.gz JYWGNKXDBPISJJ-SFHVURJKSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052376861 1348535045 /nfs/dbraw/zinc/53/50/45/1348535045.db2.gz JYWGNKXDBPISJJ-SFHVURJKSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052955288 1348769362 /nfs/dbraw/zinc/76/93/62/1348769362.db2.gz CFPZVTGMHGNIHV-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052955288 1348769364 /nfs/dbraw/zinc/76/93/64/1348769364.db2.gz CFPZVTGMHGNIHV-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088652 1348914179 /nfs/dbraw/zinc/91/41/79/1348914179.db2.gz YTPKRGGCTZWFSJ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088652 1348914183 /nfs/dbraw/zinc/91/41/83/1348914183.db2.gz YTPKRGGCTZWFSJ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088655 1348914561 /nfs/dbraw/zinc/91/45/61/1348914561.db2.gz YTPKRGGCTZWFSJ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088655 1348914562 /nfs/dbraw/zinc/91/45/62/1348914562.db2.gz YTPKRGGCTZWFSJ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099383 1348931711 /nfs/dbraw/zinc/93/17/11/1348931711.db2.gz VXDZZWJNIPJRQA-IEBWSBKVSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099383 1348931715 /nfs/dbraw/zinc/93/17/15/1348931715.db2.gz VXDZZWJNIPJRQA-IEBWSBKVSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768114 1358304830 /nfs/dbraw/zinc/30/48/30/1358304830.db2.gz WDJAXBJWTBGYJH-HSALFYBXSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768114 1358304838 /nfs/dbraw/zinc/30/48/38/1358304838.db2.gz WDJAXBJWTBGYJH-HSALFYBXSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749323 1359626042 /nfs/dbraw/zinc/62/60/42/1359626042.db2.gz GAIMLIYSMNNSQR-CEXWTWQISA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749323 1359626043 /nfs/dbraw/zinc/62/60/43/1359626043.db2.gz GAIMLIYSMNNSQR-CEXWTWQISA-N 1 3 335.536 3.186 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511280 1360482970 /nfs/dbraw/zinc/48/29/70/1360482970.db2.gz PNFDMMRDLIQGGI-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511280 1360482972 /nfs/dbraw/zinc/48/29/72/1360482972.db2.gz PNFDMMRDLIQGGI-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656284 1360568006 /nfs/dbraw/zinc/56/80/06/1360568006.db2.gz FAIGHFOYEWNQMQ-GOSISDBHSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578895 1387497557 /nfs/dbraw/zinc/49/75/57/1387497557.db2.gz ZXFDYCISTZIEQW-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106277 1363624712 /nfs/dbraw/zinc/62/47/12/1363624712.db2.gz CPFANEPYGQXDDF-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106277 1363624715 /nfs/dbraw/zinc/62/47/15/1363624715.db2.gz CPFANEPYGQXDDF-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099154047 1363659969 /nfs/dbraw/zinc/65/99/69/1363659969.db2.gz TYUJHBYRPDRELQ-RBUKOAKNSA-N 1 3 347.547 3.044 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001101550472 1364613519 /nfs/dbraw/zinc/61/35/19/1364613519.db2.gz KKPFRQQEIZREJV-GOSISDBHSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001101591323 1364642267 /nfs/dbraw/zinc/64/22/67/1364642267.db2.gz SBPCDQLMQYVPFH-UHFFFAOYSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753740 1366157966 /nfs/dbraw/zinc/15/79/66/1366157966.db2.gz QLWUPFZNPHQYAP-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)CCC1 ZINC001105563239 1366533083 /nfs/dbraw/zinc/53/30/83/1366533083.db2.gz HNGNAOUKANSABB-GOSISDBHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173781 1367190656 /nfs/dbraw/zinc/19/06/56/1367190656.db2.gz AITVCQCYPMGJEX-ZWKOTPCHSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173781 1367190657 /nfs/dbraw/zinc/19/06/57/1367190657.db2.gz AITVCQCYPMGJEX-ZWKOTPCHSA-N 1 3 335.536 3.138 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703194 1367542382 /nfs/dbraw/zinc/54/23/82/1367542382.db2.gz MIPXOTCTFNUKCZ-FHWLQOOXSA-N 1 3 349.563 3.410 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785499 1367595464 /nfs/dbraw/zinc/59/54/64/1367595464.db2.gz GYGVPGDBRVWXHF-OTWHNJEPSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192398756 1367774015 /nfs/dbraw/zinc/77/40/15/1367774015.db2.gz QVZWSOYKFVGEJT-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192398756 1367774018 /nfs/dbraw/zinc/77/40/18/1367774018.db2.gz QVZWSOYKFVGEJT-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259476 1368992004 /nfs/dbraw/zinc/99/20/04/1368992004.db2.gz MFWQEGBZAGKCCK-HXUWFJFHSA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203046789 1369966605 /nfs/dbraw/zinc/96/66/05/1369966605.db2.gz CPGQXDCWHWZASW-UHFFFAOYSA-N 1 3 337.552 3.269 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001207335813 1371364586 /nfs/dbraw/zinc/36/45/86/1371364586.db2.gz ACUPERVLEGJGLF-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001207335813 1371364591 /nfs/dbraw/zinc/36/45/91/1371364591.db2.gz ACUPERVLEGJGLF-GUDVDZBRSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391357 1371557928 /nfs/dbraw/zinc/55/79/28/1371557928.db2.gz ASNQQSHSTLMBCP-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391357 1371557933 /nfs/dbraw/zinc/55/79/33/1371557933.db2.gz ASNQQSHSTLMBCP-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121767543 1372074821 /nfs/dbraw/zinc/07/48/21/1372074821.db2.gz GQHCKEKPBGPLCQ-GGQJKKPXSA-N 1 3 349.563 3.458 20 30 EGEDHO C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001121860526 1372105574 /nfs/dbraw/zinc/10/55/74/1372105574.db2.gz MPGRQJHSLIGQLF-FCOWATRHSA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001215973031 1373252777 /nfs/dbraw/zinc/25/27/77/1373252777.db2.gz MGBSUUGMOHJIMX-CEXWTWQISA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216841082 1373349948 /nfs/dbraw/zinc/34/99/48/1373349948.db2.gz PAPVDCLFBQHSFB-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206234 1375209229 /nfs/dbraw/zinc/20/92/29/1375209229.db2.gz GSMKUDFYVKLQHV-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206234 1375209232 /nfs/dbraw/zinc/20/92/32/1375209232.db2.gz GSMKUDFYVKLQHV-MSOLQXFVSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CC[C@@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160706 1375399774 /nfs/dbraw/zinc/39/97/74/1375399774.db2.gz SZOYFVOSLMAUSL-MRXNPFEDSA-N 1 3 333.520 3.215 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132830211 1375587013 /nfs/dbraw/zinc/58/70/13/1375587013.db2.gz BEKQYYIAYNEAOQ-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623961 1375620846 /nfs/dbraw/zinc/62/08/46/1375620846.db2.gz OTQPAQMUKQWFFA-KZNAEPCWSA-N 1 3 337.552 3.336 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133122636 1375787646 /nfs/dbraw/zinc/78/76/46/1375787646.db2.gz SJKBNQXWIDMIPR-MSOLQXFVSA-N 1 3 337.552 3.005 20 30 EGEDHO N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235968568 1376924202 /nfs/dbraw/zinc/92/42/02/1376924202.db2.gz ISKWMSDSXAIRKG-HXUWFJFHSA-N 1 3 333.435 3.205 20 30 EGEDHO C[NH+]1CCC2(CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)CC1 ZINC001139405474 1377880129 /nfs/dbraw/zinc/88/01/29/1377880129.db2.gz QZQNBSKUGVXICO-UHFFFAOYSA-N 1 3 332.451 3.148 20 30 EGEDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404441 1377880227 /nfs/dbraw/zinc/88/02/27/1377880227.db2.gz HGUFQFUMPFIYCV-BGYRXZFFSA-N 1 3 332.451 3.004 20 30 EGEDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404441 1377880229 /nfs/dbraw/zinc/88/02/29/1377880229.db2.gz HGUFQFUMPFIYCV-BGYRXZFFSA-N 1 3 332.451 3.004 20 30 EGEDHO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001279696747 1378318369 /nfs/dbraw/zinc/31/83/69/1378318369.db2.gz HFHYAKMXKMUKJV-UHFFFAOYSA-N 1 3 349.482 3.078 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147552646 1379041532 /nfs/dbraw/zinc/04/15/32/1379041532.db2.gz NWALBWQFVMIRRG-SFHVURJKSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147552646 1379041533 /nfs/dbraw/zinc/04/15/33/1379041533.db2.gz NWALBWQFVMIRRG-SFHVURJKSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214073 1382344496 /nfs/dbraw/zinc/34/44/96/1382344496.db2.gz SBPIQLRMZVTIOZ-IBGZPJMESA-N 1 3 349.563 3.437 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214073 1382344502 /nfs/dbraw/zinc/34/45/02/1382344502.db2.gz SBPIQLRMZVTIOZ-IBGZPJMESA-N 1 3 349.563 3.437 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001167470908 1383642521 /nfs/dbraw/zinc/64/25/21/1383642521.db2.gz IQEMIEGVAQXZQL-UHFFFAOYSA-N 1 3 337.552 3.341 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262175 1385232582 /nfs/dbraw/zinc/23/25/82/1385232582.db2.gz COZVZMLJNWFCLV-RBUKOAKNSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345294 1385922687 /nfs/dbraw/zinc/92/26/87/1385922687.db2.gz ZLKKAPNBHWLXMT-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415627 1385948964 /nfs/dbraw/zinc/94/89/64/1385948964.db2.gz GHNAVKGNNFGVAL-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179585445 1386523340 /nfs/dbraw/zinc/52/33/40/1386523340.db2.gz HYKGKVUEBJXGEY-LJQANCHMSA-N 1 3 337.552 3.341 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182814295 1387229255 /nfs/dbraw/zinc/22/92/55/1387229255.db2.gz UHBCOKLPUYTHGS-SVFBPWRDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001752827341 1440224138 /nfs/dbraw/zinc/22/41/38/1440224138.db2.gz YNSKQPNMYKMQNT-SFHVURJKSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001753786549 1440488224 /nfs/dbraw/zinc/48/82/24/1440488224.db2.gz QSCHHYFIANWMKL-LJQANCHMSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH+]1CCC(C)(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001754722515 1440673942 /nfs/dbraw/zinc/67/39/42/1440673942.db2.gz ZECKQCZYOMVBPO-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001754946725 1440713529 /nfs/dbraw/zinc/71/35/29/1440713529.db2.gz URUQBQXECANRHC-FQEVSTJZSA-N 1 3 343.515 3.043 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001754946725 1440713530 /nfs/dbraw/zinc/71/35/30/1440713530.db2.gz URUQBQXECANRHC-FQEVSTJZSA-N 1 3 343.515 3.043 20 30 EGEDHO C[C@H](c1ccc(C#N)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947425 231077346 /nfs/dbraw/zinc/07/73/46/231077346.db2.gz JUNNJQWLJYCKRC-QGZVFWFLSA-N 1 3 327.472 3.196 20 30 EGEDHO N#Cc1ccccc1CSCCNC1CC[NH+](CC2CC2)CC1 ZINC000538211879 314232784 /nfs/dbraw/zinc/23/27/84/314232784.db2.gz LFUBSDMLFUBYSE-UHFFFAOYSA-N 1 3 329.513 3.255 20 30 EGEDHO C[N@H+](CCN1CCN(CC(C)(C)CCC#N)CC1)Cc1ccccc1 ZINC000093105043 454683164 /nfs/dbraw/zinc/68/31/64/454683164.db2.gz TTYYYUZQYAZDBM-UHFFFAOYSA-N 1 3 342.531 3.066 20 30 EGEDHO C[N@@H+](CCN1CCN(CC(C)(C)CCC#N)CC1)Cc1ccccc1 ZINC000093105043 454683168 /nfs/dbraw/zinc/68/31/68/454683168.db2.gz TTYYYUZQYAZDBM-UHFFFAOYSA-N 1 3 342.531 3.066 20 30 EGEDHO C[C@@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000285494509 455858519 /nfs/dbraw/zinc/85/85/19/455858519.db2.gz ANTCRRVIQYSQFN-SFHVURJKSA-N 1 3 340.515 3.381 20 30 EGEDHO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000337201070 456337973 /nfs/dbraw/zinc/33/79/73/456337973.db2.gz FPMWJMTUXDCFDF-MSOLQXFVSA-N 1 3 333.520 3.330 20 30 EGEDHO C=CCOc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290637556 456392748 /nfs/dbraw/zinc/39/27/48/456392748.db2.gz YIYAWMJQAYVRRX-LJQANCHMSA-N 1 3 344.499 3.424 20 30 EGEDHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCCCC#N ZINC000350151155 457168036 /nfs/dbraw/zinc/16/80/36/457168036.db2.gz XEYJYGGLKNFMFE-UHFFFAOYSA-N 1 3 345.487 3.151 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978181 458406036 /nfs/dbraw/zinc/40/60/36/458406036.db2.gz JCJSTUOPFQYWJP-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978181 458406042 /nfs/dbraw/zinc/40/60/42/458406042.db2.gz JCJSTUOPFQYWJP-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978181 458406046 /nfs/dbraw/zinc/40/60/46/458406046.db2.gz JCJSTUOPFQYWJP-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO C=CCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512668211 458787237 /nfs/dbraw/zinc/78/72/37/458787237.db2.gz TYYWOWVHPQBBTL-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512668211 458787242 /nfs/dbraw/zinc/78/72/42/458787242.db2.gz TYYWOWVHPQBBTL-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512668211 458787249 /nfs/dbraw/zinc/78/72/49/458787249.db2.gz TYYWOWVHPQBBTL-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO COc1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000440830181 458858847 /nfs/dbraw/zinc/85/88/47/458858847.db2.gz XJIFMQSBJKENFX-CALCHBBNSA-N 1 3 329.488 3.415 20 30 EGEDHO COc1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000440830181 458858850 /nfs/dbraw/zinc/85/88/50/458858850.db2.gz XJIFMQSBJKENFX-CALCHBBNSA-N 1 3 329.488 3.415 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+]C[C@H](C)CCC#N)CC2)cc1 ZINC000602535164 459987102 /nfs/dbraw/zinc/98/71/02/459987102.db2.gz YMAGHXPWDDLIOG-QGZVFWFLSA-N 1 3 329.488 3.437 20 30 EGEDHO COCCC[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392485 460353695 /nfs/dbraw/zinc/35/36/95/460353695.db2.gz XXIYQHIDDAIYHX-FQEVSTJZSA-N 1 3 327.472 3.026 20 30 EGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000657868263 462302580 /nfs/dbraw/zinc/30/25/80/462302580.db2.gz MUUQUPDSLSMHRJ-UYAOXDASSA-N 1 3 343.515 3.203 20 30 EGEDHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191459413 528452588 /nfs/dbraw/zinc/45/25/88/528452588.db2.gz DJRKONMBCDSNLR-IBGZPJMESA-N 1 3 342.531 3.357 20 30 EGEDHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191459413 528452589 /nfs/dbraw/zinc/45/25/89/528452589.db2.gz DJRKONMBCDSNLR-IBGZPJMESA-N 1 3 342.531 3.357 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164518686 1294349382 /nfs/dbraw/zinc/34/93/82/1294349382.db2.gz ZNZDOTUXJQRLCD-APWZRJJASA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164518686 1294349388 /nfs/dbraw/zinc/34/93/88/1294349388.db2.gz ZNZDOTUXJQRLCD-APWZRJJASA-N 1 3 330.472 3.045 20 30 EGEDHO CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000305034502 1296954523 /nfs/dbraw/zinc/95/45/23/1296954523.db2.gz SBJVFCXUMIXQHV-AEFFLSMTSA-N 1 3 346.519 3.061 20 30 EGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000775408233 1303959769 /nfs/dbraw/zinc/95/97/69/1303959769.db2.gz IRCIGBHCPLFQHF-LJQANCHMSA-N 1 3 327.472 3.332 20 30 EGEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647532 1317519435 /nfs/dbraw/zinc/51/94/35/1317519435.db2.gz LSMWWNSAYATMEY-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628649 1324478942 /nfs/dbraw/zinc/47/89/42/1324478942.db2.gz SLKPBGTZMLPBEW-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628649 1324478946 /nfs/dbraw/zinc/47/89/46/1324478946.db2.gz SLKPBGTZMLPBEW-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945088469 1332496239 /nfs/dbraw/zinc/49/62/39/1332496239.db2.gz BSLMMEKSWKMQML-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945088469 1332496242 /nfs/dbraw/zinc/49/62/42/1332496242.db2.gz BSLMMEKSWKMQML-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016924750 1338771771 /nfs/dbraw/zinc/77/17/71/1338771771.db2.gz YEUHODHEQSXKRD-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251790 1340512818 /nfs/dbraw/zinc/51/28/18/1340512818.db2.gz LUEREJIVGXAYEB-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251790 1340512822 /nfs/dbraw/zinc/51/28/22/1340512822.db2.gz LUEREJIVGXAYEB-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835604 1342035299 /nfs/dbraw/zinc/03/52/99/1342035299.db2.gz KCRFXQMMZPMIOZ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835604 1342035303 /nfs/dbraw/zinc/03/53/03/1342035303.db2.gz KCRFXQMMZPMIOZ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837107 1343220555 /nfs/dbraw/zinc/22/05/55/1343220555.db2.gz HAUVUBFAJPQKKS-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837107 1343220557 /nfs/dbraw/zinc/22/05/57/1343220557.db2.gz HAUVUBFAJPQKKS-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858666 1348705417 /nfs/dbraw/zinc/70/54/17/1348705417.db2.gz FKLIUIQBFOZNSG-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858666 1348705419 /nfs/dbraw/zinc/70/54/19/1348705419.db2.gz FKLIUIQBFOZNSG-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099382 1348931169 /nfs/dbraw/zinc/93/11/69/1348931169.db2.gz VXDZZWJNIPJRQA-HKUYNNGSSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099382 1348931172 /nfs/dbraw/zinc/93/11/72/1348931172.db2.gz VXDZZWJNIPJRQA-HKUYNNGSSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095507 1355126617 /nfs/dbraw/zinc/12/66/17/1355126617.db2.gz JNFUCSJJNPNTMB-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095507 1355126618 /nfs/dbraw/zinc/12/66/18/1355126618.db2.gz JNFUCSJJNPNTMB-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072626 1358383864 /nfs/dbraw/zinc/38/38/64/1358383864.db2.gz LNHLEGSJIUIAJM-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072626 1358383866 /nfs/dbraw/zinc/38/38/66/1358383866.db2.gz LNHLEGSJIUIAJM-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382566 1360384069 /nfs/dbraw/zinc/38/40/69/1360384069.db2.gz UDKIDRLUDYYDGA-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382566 1360384072 /nfs/dbraw/zinc/38/40/72/1360384072.db2.gz UDKIDRLUDYYDGA-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510608 1360482028 /nfs/dbraw/zinc/48/20/28/1360482028.db2.gz YVCWDRSGSWESRY-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510608 1360482030 /nfs/dbraw/zinc/48/20/30/1360482030.db2.gz YVCWDRSGSWESRY-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638903 1360552833 /nfs/dbraw/zinc/55/28/33/1360552833.db2.gz IYURUBUGJOBEDE-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638903 1360552835 /nfs/dbraw/zinc/55/28/35/1360552835.db2.gz IYURUBUGJOBEDE-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001099103000 1363622926 /nfs/dbraw/zinc/62/29/26/1363622926.db2.gz SZUYLOHZDPFRQC-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001099103000 1363622928 /nfs/dbraw/zinc/62/29/28/1363622928.db2.gz SZUYLOHZDPFRQC-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100320737 1364079721 /nfs/dbraw/zinc/07/97/21/1364079721.db2.gz QCGMXMBLXWPSOX-CTWPCTMYSA-N 1 3 337.552 3.314 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357287 1387691308 /nfs/dbraw/zinc/69/13/08/1387691308.db2.gz BYJQEEYEQWJEAV-MOPGFXCFSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438677 1365561058 /nfs/dbraw/zinc/56/10/58/1365561058.db2.gz WGRGLZDBZRCYIQ-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438677 1365561062 /nfs/dbraw/zinc/56/10/62/1365561062.db2.gz WGRGLZDBZRCYIQ-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619427 1368650933 /nfs/dbraw/zinc/65/09/33/1368650933.db2.gz AWSZBTCQCMCLRH-HXUWFJFHSA-N 1 3 347.547 3.142 20 30 EGEDHO CCCCCCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201777436 1369623122 /nfs/dbraw/zinc/62/31/22/1369623122.db2.gz WVJDVCNVVUAZBS-UHFFFAOYSA-N 1 3 336.524 3.137 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114920994 1370150059 /nfs/dbraw/zinc/15/00/59/1370150059.db2.gz FAYUVIZZGBWFIX-ZGXWSNOMSA-N 1 3 349.563 3.266 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114920994 1370150062 /nfs/dbraw/zinc/15/00/62/1370150062.db2.gz FAYUVIZZGBWFIX-ZGXWSNOMSA-N 1 3 349.563 3.266 20 30 EGEDHO C[C@H]1CN(Cc2ccc(C#N)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205995466 1370932880 /nfs/dbraw/zinc/93/28/80/1370932880.db2.gz OILSHKWXQQYXHI-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393931 1371561419 /nfs/dbraw/zinc/56/14/19/1371561419.db2.gz YYBXRUBWNAKUPZ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393931 1371561423 /nfs/dbraw/zinc/56/14/23/1371561423.db2.gz YYBXRUBWNAKUPZ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121799045 1372085084 /nfs/dbraw/zinc/08/50/84/1372085084.db2.gz ZEJAASBDXFNBNS-WZXTXQKWSA-N 1 3 337.552 3.314 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689034 1372170642 /nfs/dbraw/zinc/17/06/42/1372170642.db2.gz IRDKQIFXMUFTHT-SFHVURJKSA-N 1 3 337.552 3.291 20 30 EGEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN(C)CCCCCC)CC1 ZINC001224883494 1375082332 /nfs/dbraw/zinc/08/23/32/1375082332.db2.gz BXWORYQPKWBQHU-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206235 1375209071 /nfs/dbraw/zinc/20/90/71/1375209071.db2.gz GSMKUDFYVKLQHV-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206235 1375209077 /nfs/dbraw/zinc/20/90/77/1375209077.db2.gz GSMKUDFYVKLQHV-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226782755 1375333224 /nfs/dbraw/zinc/33/32/24/1375333224.db2.gz REZZVSGOQZLXNV-QZTJIDSGSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274541 1375888892 /nfs/dbraw/zinc/88/88/92/1375888892.db2.gz JUJHPCJGADTCOC-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133276010 1375889888 /nfs/dbraw/zinc/88/98/88/1375889888.db2.gz YVAZZZXWAFASSJ-RBUKOAKNSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001229984777 1375925506 /nfs/dbraw/zinc/92/55/06/1375925506.db2.gz BCYAYLSZEPTBBR-LJQANCHMSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133343484 1375934261 /nfs/dbraw/zinc/93/42/61/1375934261.db2.gz YCOUYZMBMHJZHI-PKOBYXMFSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480450 1383646506 /nfs/dbraw/zinc/64/65/06/1383646506.db2.gz FZVAJSVIRCXGGW-UHFFFAOYSA-N 1 3 325.541 3.175 20 30 EGEDHO C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168024227 1383799626 /nfs/dbraw/zinc/79/96/26/1383799626.db2.gz CORACIZKURCWNF-UPHUGPLXSA-N 1 3 334.467 3.484 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1CCC ZINC001177335762 1385918044 /nfs/dbraw/zinc/91/80/44/1385918044.db2.gz JVZGWWLOTCEVGM-LJQANCHMSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345133 1385922009 /nfs/dbraw/zinc/92/20/09/1385922009.db2.gz QCQZNGGLCOVYEY-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177416287 1385949827 /nfs/dbraw/zinc/94/98/27/1385949827.db2.gz ZNULLRDXPZZBDT-UHFFFAOYSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204153 1386731630 /nfs/dbraw/zinc/73/16/30/1386731630.db2.gz IYVYWVRTTNSIBZ-ZWOKBUDYSA-N 1 3 343.515 3.296 20 30 EGEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCCC(C)C)CC1 ZINC001180360608 1386774044 /nfs/dbraw/zinc/77/40/44/1386774044.db2.gz KGQKOSZZMIMJLP-UHFFFAOYSA-N 1 3 349.563 3.034 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001754695751 1440667105 /nfs/dbraw/zinc/66/71/05/1440667105.db2.gz SNZIYFPZXZDAQN-GHTZIAJQSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001754956399 1440716538 /nfs/dbraw/zinc/71/65/38/1440716538.db2.gz PIEZLPSVTZWWSP-GUDVDZBRSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001754956305 1440716609 /nfs/dbraw/zinc/71/66/09/1440716609.db2.gz LDEBLKGGLICPIH-VAMGGRTRSA-N 1 3 349.563 3.482 20 30 EGEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544710 266153270 /nfs/dbraw/zinc/15/32/70/266153270.db2.gz YYCYGVBJSHESLK-UKRRQHHQSA-N 1 3 334.489 3.402 20 30 EGEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544710 266153274 /nfs/dbraw/zinc/15/32/74/266153274.db2.gz YYCYGVBJSHESLK-UKRRQHHQSA-N 1 3 334.489 3.402 20 30 EGEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954238 267179625 /nfs/dbraw/zinc/17/96/25/267179625.db2.gz PJLMAEOHPAZQGS-PNHOKKKMSA-N 1 3 345.462 3.116 20 30 EGEDHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000105458112 454639434 /nfs/dbraw/zinc/63/94/34/454639434.db2.gz IOFQGKAODJBUFZ-IBGZPJMESA-N 1 3 328.504 3.246 20 30 EGEDHO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246396343 455483195 /nfs/dbraw/zinc/48/31/95/455483195.db2.gz OTRVKWYMIJPGOA-FGTMMUONSA-N 1 3 341.499 3.440 20 30 EGEDHO N#C[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000185786368 455621813 /nfs/dbraw/zinc/62/18/13/455621813.db2.gz NNKHEAOYLLZVOQ-PMACEKPBSA-N 1 3 340.515 3.261 20 30 EGEDHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353429909 456693742 /nfs/dbraw/zinc/69/37/42/456693742.db2.gz VEQDLPQFRPDLLI-NRFANRHFSA-N 1 3 335.451 3.276 20 30 EGEDHO CC(C#N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000345859520 457002494 /nfs/dbraw/zinc/00/24/94/457002494.db2.gz OBQCUONPIYODJJ-GFCCVEGCSA-N 1 3 342.270 3.433 20 30 EGEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314115 457806584 /nfs/dbraw/zinc/80/65/84/457806584.db2.gz YFNBIZLYAXEMHI-PKOBYXMFSA-N 1 3 341.499 3.386 20 30 EGEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314115 457806591 /nfs/dbraw/zinc/80/65/91/457806591.db2.gz YFNBIZLYAXEMHI-PKOBYXMFSA-N 1 3 341.499 3.386 20 30 EGEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000423336831 458430668 /nfs/dbraw/zinc/43/06/68/458430668.db2.gz JVOLUVNKJIKKDL-LPHOPBHVSA-N 1 3 329.488 3.135 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000442721773 459026957 /nfs/dbraw/zinc/02/69/57/459026957.db2.gz ULRDJKCKMALDKL-VQTJNVASSA-N 1 3 340.515 3.179 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560546041 459371293 /nfs/dbraw/zinc/37/12/93/459371293.db2.gz SKBUTMHPGMPCKV-DXBBTUNJSA-N 1 3 342.527 3.451 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219999 460209869 /nfs/dbraw/zinc/20/98/69/460209869.db2.gz NCQABBBCSFVXOS-RBUKOAKNSA-N 1 3 339.483 3.282 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598219999 460209875 /nfs/dbraw/zinc/20/98/75/460209875.db2.gz NCQABBBCSFVXOS-RBUKOAKNSA-N 1 3 339.483 3.282 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000303911727 1296878929 /nfs/dbraw/zinc/87/89/29/1296878929.db2.gz ZTUVHEPVABJABY-QWHCGFSZSA-N 1 3 338.883 3.196 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000303911729 1296880996 /nfs/dbraw/zinc/88/09/96/1296880996.db2.gz ZTUVHEPVABJABY-STQMWFEESA-N 1 3 338.883 3.196 20 30 EGEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000876719641 1298936238 /nfs/dbraw/zinc/93/62/38/1298936238.db2.gz QNIJEKDOGJDCMR-QAPCUYQASA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719641 1298936254 /nfs/dbraw/zinc/93/62/54/1298936254.db2.gz QNIJEKDOGJDCMR-QAPCUYQASA-N 1 3 349.906 3.147 20 30 EGEDHO C[C@H]1CCCCN1N=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000853381121 1325087265 /nfs/dbraw/zinc/08/72/65/1325087265.db2.gz XBVJZDUPZRTLGP-KRWDZBQOSA-N 1 3 328.504 3.425 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928536 1336092892 /nfs/dbraw/zinc/09/28/92/1336092892.db2.gz NJOGICKECYFMOH-PMACEKPBSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928536 1336092895 /nfs/dbraw/zinc/09/28/95/1336092895.db2.gz NJOGICKECYFMOH-PMACEKPBSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251792 1340512987 /nfs/dbraw/zinc/51/29/87/1340512987.db2.gz LUEREJIVGXAYEB-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251792 1340512989 /nfs/dbraw/zinc/51/29/89/1340512989.db2.gz LUEREJIVGXAYEB-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918289 1340883498 /nfs/dbraw/zinc/88/34/98/1340883498.db2.gz DIGYCROEORECJZ-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918289 1340883500 /nfs/dbraw/zinc/88/35/00/1340883500.db2.gz DIGYCROEORECJZ-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034481288 1342538597 /nfs/dbraw/zinc/53/85/97/1342538597.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034481288 1342538599 /nfs/dbraw/zinc/53/85/99/1342538599.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034481288 1342538603 /nfs/dbraw/zinc/53/86/03/1342538603.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481288 1342538610 /nfs/dbraw/zinc/53/86/10/1342538610.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542824 1342602848 /nfs/dbraw/zinc/60/28/48/1342602848.db2.gz BKGAIMIEUZCMSC-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542824 1342602851 /nfs/dbraw/zinc/60/28/51/1342602851.db2.gz BKGAIMIEUZCMSC-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001034749078 1342736710 /nfs/dbraw/zinc/73/67/10/1342736710.db2.gz GOPCDJLMSIZHAU-BRWVUGGUSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937798 1346774039 /nfs/dbraw/zinc/77/40/39/1346774039.db2.gz KPJJEHJGKXVSAX-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937798 1346774042 /nfs/dbraw/zinc/77/40/42/1346774042.db2.gz KPJJEHJGKXVSAX-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049760672 1348005437 /nfs/dbraw/zinc/00/54/37/1348005437.db2.gz AXXJZFKGZIOIBN-SLFFLAALSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049760672 1348005439 /nfs/dbraw/zinc/00/54/39/1348005439.db2.gz AXXJZFKGZIOIBN-SLFFLAALSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001085389381 1358486231 /nfs/dbraw/zinc/48/62/31/1358486231.db2.gz GSGWAUIPEUCBIG-QRVBRYPASA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001086850068 1359213821 /nfs/dbraw/zinc/21/38/21/1359213821.db2.gz OPYAIZRQYNQGAJ-IPMKNSEASA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400821 1360400830 /nfs/dbraw/zinc/40/08/30/1360400830.db2.gz LIJOJWDFVDPLEW-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400821 1360400831 /nfs/dbraw/zinc/40/08/31/1360400831.db2.gz LIJOJWDFVDPLEW-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001096313445 1362460300 /nfs/dbraw/zinc/46/03/00/1362460300.db2.gz GTUSYABYQUZTQD-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001096313445 1362460304 /nfs/dbraw/zinc/46/03/04/1362460304.db2.gz GTUSYABYQUZTQD-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164086 1363664848 /nfs/dbraw/zinc/66/48/48/1363664848.db2.gz APFZONKRLJIQGA-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164086 1363664851 /nfs/dbraw/zinc/66/48/51/1363664851.db2.gz APFZONKRLJIQGA-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647059 1364203158 /nfs/dbraw/zinc/20/31/58/1364203158.db2.gz AIDOKFVNFLTSLL-DAWZGUTISA-N 1 3 325.541 3.027 20 30 EGEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001100848441 1364289903 /nfs/dbraw/zinc/28/99/03/1364289903.db2.gz MXPIZSGCBGORQI-ACBHZAAOSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267846 1364492081 /nfs/dbraw/zinc/49/20/81/1364492081.db2.gz VBOLZZYTYHKOTQ-SBHAEUEKSA-N 1 3 349.563 3.077 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267846 1364492084 /nfs/dbraw/zinc/49/20/84/1364492084.db2.gz VBOLZZYTYHKOTQ-SBHAEUEKSA-N 1 3 349.563 3.077 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974949 1364795373 /nfs/dbraw/zinc/79/53/73/1364795373.db2.gz YIRZMUSZQOKQCH-GUDVDZBRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974949 1364795378 /nfs/dbraw/zinc/79/53/78/1364795378.db2.gz YIRZMUSZQOKQCH-GUDVDZBRSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368091 1365026843 /nfs/dbraw/zinc/02/68/43/1365026843.db2.gz DKBZRRCVALZZOT-CEXWTWQISA-N 1 3 337.552 3.125 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368091 1365026850 /nfs/dbraw/zinc/02/68/50/1365026850.db2.gz DKBZRRCVALZZOT-CEXWTWQISA-N 1 3 337.552 3.125 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104290810 1365976936 /nfs/dbraw/zinc/97/69/36/1365976936.db2.gz FBEZHNOAMWKFBT-MISYRCLQSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676420 1366127277 /nfs/dbraw/zinc/12/72/77/1366127277.db2.gz JEOLAEJZEAFWSU-HSALFYBXSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001105537558 1366517166 /nfs/dbraw/zinc/51/71/66/1366517166.db2.gz TZNJRWFCPQUTAB-OALUTQOASA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563718 1366532699 /nfs/dbraw/zinc/53/26/99/1366532699.db2.gz RCWARDSWZYJUCO-RTBURBONSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566024 1366534407 /nfs/dbraw/zinc/53/44/07/1366534407.db2.gz DWZVSTMWPNPALW-GOSISDBHSA-N 1 3 344.503 3.059 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109463916 1367138272 /nfs/dbraw/zinc/13/82/72/1367138272.db2.gz CQJDJJXGWSDYRW-SQNIBIBYSA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109463916 1367138275 /nfs/dbraw/zinc/13/82/75/1367138275.db2.gz CQJDJJXGWSDYRW-SQNIBIBYSA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186081908 1387861888 /nfs/dbraw/zinc/86/18/88/1387861888.db2.gz DWNWZLVLHYORCG-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780732 1367592535 /nfs/dbraw/zinc/59/25/35/1367592535.db2.gz KVJOHFREFKKFML-ZCNNSNEGSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785455 1367595838 /nfs/dbraw/zinc/59/58/38/1367595838.db2.gz FRRZNGQVSZRDBV-OTWHNJEPSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001197331859 1368790187 /nfs/dbraw/zinc/79/01/87/1368790187.db2.gz PARICMAIFWRLMN-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001197331859 1368790188 /nfs/dbraw/zinc/79/01/88/1368790188.db2.gz PARICMAIFWRLMN-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401402 1368825574 /nfs/dbraw/zinc/82/55/74/1368825574.db2.gz BKJDECYVWKRFOS-WFXMLNOXSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186598244 1387981377 /nfs/dbraw/zinc/98/13/77/1387981377.db2.gz RZMHDGPVWHOVCY-SFHVURJKSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186598244 1387981384 /nfs/dbraw/zinc/98/13/84/1387981384.db2.gz RZMHDGPVWHOVCY-SFHVURJKSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186946506 1388032415 /nfs/dbraw/zinc/03/24/15/1388032415.db2.gz RSLHJHDNOXMNBE-FQEVSTJZSA-N 1 3 341.499 3.053 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393927 1371561632 /nfs/dbraw/zinc/56/16/32/1371561632.db2.gz YYBXRUBWNAKUPZ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393927 1371561634 /nfs/dbraw/zinc/56/16/34/1371561634.db2.gz YYBXRUBWNAKUPZ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121773404 1372076807 /nfs/dbraw/zinc/07/68/07/1372076807.db2.gz RRIFVZAOGOGGPK-PMRGXDQWSA-N 1 3 349.563 3.316 20 30 EGEDHO C#C[C@H](CCC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160710 1375399983 /nfs/dbraw/zinc/39/99/83/1375399983.db2.gz LBXGVWHTFZKPMQ-HXUWFJFHSA-N 1 3 345.531 3.052 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001229461938 1375840443 /nfs/dbraw/zinc/84/04/43/1375840443.db2.gz GEKSOZZNAFKXDD-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341148 1375932147 /nfs/dbraw/zinc/93/21/47/1375932147.db2.gz BAADBOYHBVRCNI-PKOBYXMFSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583706 1376608027 /nfs/dbraw/zinc/60/80/27/1376608027.db2.gz NMDPCYWMESEQQO-IRXDYDNUSA-N 1 3 325.541 3.314 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148386692 1379160988 /nfs/dbraw/zinc/16/09/88/1379160988.db2.gz ZHWVZLRZBIIWPV-MOPGFXCFSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148386692 1379160992 /nfs/dbraw/zinc/16/09/92/1379160992.db2.gz ZHWVZLRZBIIWPV-MOPGFXCFSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391049 1382395520 /nfs/dbraw/zinc/39/55/20/1382395520.db2.gz ODBWHSPUIHXSMJ-FQEVSTJZSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391049 1382395527 /nfs/dbraw/zinc/39/55/27/1382395527.db2.gz ODBWHSPUIHXSMJ-FQEVSTJZSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932953 1382559002 /nfs/dbraw/zinc/55/90/02/1382559002.db2.gz ZBNNSXNHKWQVBP-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932953 1382559008 /nfs/dbraw/zinc/55/90/08/1382559008.db2.gz ZBNNSXNHKWQVBP-UHFFFAOYSA-N 1 3 341.499 3.076 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168327196 1383874531 /nfs/dbraw/zinc/87/45/31/1383874531.db2.gz XJTFSGGADFLKOQ-UHFFFAOYSA-N 1 3 343.515 3.204 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769965 1384382891 /nfs/dbraw/zinc/38/28/91/1384382891.db2.gz RABXCPYBAUJEDW-SFHVURJKSA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176747115 1385681268 /nfs/dbraw/zinc/68/12/68/1385681268.db2.gz RYBZFDQWEJEUOR-QGZVFWFLSA-N 1 3 331.504 3.203 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345303 1385922558 /nfs/dbraw/zinc/92/25/58/1385922558.db2.gz ZWVXACKTKMSHIX-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746433 1386570680 /nfs/dbraw/zinc/57/06/80/1386570680.db2.gz UGPFKXHUKPGHIF-IBGZPJMESA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746488 1386571259 /nfs/dbraw/zinc/57/12/59/1386571259.db2.gz VNWZBVIMCGKDQP-KRWDZBQOSA-N 1 3 343.943 3.268 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001342138766 1390576791 /nfs/dbraw/zinc/57/67/91/1390576791.db2.gz BZQVIWPXMYWXCS-PKOBYXMFSA-N 1 3 335.536 3.173 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001342138766 1390576794 /nfs/dbraw/zinc/57/67/94/1390576794.db2.gz BZQVIWPXMYWXCS-PKOBYXMFSA-N 1 3 335.536 3.173 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752538180 1440194410 /nfs/dbraw/zinc/19/44/10/1440194410.db2.gz FDURBYGZNITUGB-ZRNYENFQSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752538180 1440194411 /nfs/dbraw/zinc/19/44/11/1440194411.db2.gz FDURBYGZNITUGB-ZRNYENFQSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001753427318 1440397331 /nfs/dbraw/zinc/39/73/31/1440397331.db2.gz HIYHSFSGMRBTDN-VDGAXYAQSA-N 1 3 341.499 3.002 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001753427318 1440397332 /nfs/dbraw/zinc/39/73/32/1440397332.db2.gz HIYHSFSGMRBTDN-VDGAXYAQSA-N 1 3 341.499 3.002 20 30 EGEDHO C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001753584604 1440440990 /nfs/dbraw/zinc/44/09/90/1440440990.db2.gz BJJATQNXKPNBEC-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001755133095 1440757571 /nfs/dbraw/zinc/75/75/71/1440757571.db2.gz BQJDKDGJTADZKU-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001755211722 1440783220 /nfs/dbraw/zinc/78/32/20/1440783220.db2.gz UVIBHVQQNCQCSY-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001755211722 1440783221 /nfs/dbraw/zinc/78/32/21/1440783221.db2.gz UVIBHVQQNCQCSY-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001755869591 1440938793 /nfs/dbraw/zinc/93/87/93/1440938793.db2.gz KXQUTNNHVBHNSP-HDICACEKSA-N 1 3 347.547 3.186 20 30 EGEDHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccc(C#N)c1 ZINC000271867027 267184061 /nfs/dbraw/zinc/18/40/61/267184061.db2.gz LTPHELUTBSYFCB-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285524259 267211417 /nfs/dbraw/zinc/21/14/17/267211417.db2.gz FBWCVIUCLYAKGO-SFHVURJKSA-N 1 3 340.515 3.381 20 30 EGEDHO C=C(C)CN1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000264498144 455224856 /nfs/dbraw/zinc/22/48/56/455224856.db2.gz PUKJYRGDCMPBFY-UHFFFAOYSA-N 1 3 343.515 3.299 20 30 EGEDHO CCN1CCN(Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174275064 455375761 /nfs/dbraw/zinc/37/57/61/455375761.db2.gz UTCVBMWZSGIHLK-UHFFFAOYSA-N 1 3 342.531 3.244 20 30 EGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(N(C)CCC#N)cc2)CC1 ZINC000106246343 454687681 /nfs/dbraw/zinc/68/76/81/454687681.db2.gz BXYVLKGBTZYOST-UHFFFAOYSA-N 1 3 326.488 3.167 20 30 EGEDHO CC[NH+](CC)CCOC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343542772 456694850 /nfs/dbraw/zinc/69/48/50/456694850.db2.gz USXOFFYKOIZJIO-UHFFFAOYSA-N 1 3 329.488 3.075 20 30 EGEDHO C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000344770956 456856904 /nfs/dbraw/zinc/85/69/04/456856904.db2.gz JIBRQVZFBRKSEF-MJGOQNOKSA-N 1 3 339.483 3.092 20 30 EGEDHO C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000344770956 456856911 /nfs/dbraw/zinc/85/69/11/456856911.db2.gz JIBRQVZFBRKSEF-MJGOQNOKSA-N 1 3 339.483 3.092 20 30 EGEDHO C[N@H+]1CC=C(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000345166085 456950358 /nfs/dbraw/zinc/95/03/58/456950358.db2.gz BESLBUWMKAMGRP-UHFFFAOYSA-N 1 3 347.462 3.489 20 30 EGEDHO C[N@@H+]1CC=C(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000345166085 456950362 /nfs/dbraw/zinc/95/03/62/456950362.db2.gz BESLBUWMKAMGRP-UHFFFAOYSA-N 1 3 347.462 3.489 20 30 EGEDHO C=CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424541 457285769 /nfs/dbraw/zinc/28/57/69/457285769.db2.gz WJBXMVOYNHGYPZ-RTWAWAEBSA-N 1 3 328.500 3.302 20 30 EGEDHO C=CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424541 457285772 /nfs/dbraw/zinc/28/57/72/457285772.db2.gz WJBXMVOYNHGYPZ-RTWAWAEBSA-N 1 3 328.500 3.302 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982463 458406234 /nfs/dbraw/zinc/40/62/34/458406234.db2.gz OTRANRZRSXKQTO-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982463 458406239 /nfs/dbraw/zinc/40/62/39/458406239.db2.gz OTRANRZRSXKQTO-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982463 458406243 /nfs/dbraw/zinc/40/62/43/458406243.db2.gz OTRANRZRSXKQTO-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO CC1(C#N)CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000449059498 458419208 /nfs/dbraw/zinc/41/92/08/458419208.db2.gz PQNAQGXSKYLGMG-UHFFFAOYSA-N 1 3 341.499 3.205 20 30 EGEDHO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OCCN(C)C)cc1 ZINC000467434483 458975071 /nfs/dbraw/zinc/97/50/71/458975071.db2.gz OBISOXWHWJFZFN-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C#N)c1 ZINC000481173815 459237828 /nfs/dbraw/zinc/23/78/28/459237828.db2.gz GXUSOWIUPQJHLX-GCJKJVERSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C#N)c1 ZINC000481173815 459237832 /nfs/dbraw/zinc/23/78/32/459237832.db2.gz GXUSOWIUPQJHLX-GCJKJVERSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593688 459957175 /nfs/dbraw/zinc/95/71/75/459957175.db2.gz VUVGBWNOCAUYJV-MJGOQNOKSA-N 1 3 335.536 3.264 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593688 459957181 /nfs/dbraw/zinc/95/71/81/459957181.db2.gz VUVGBWNOCAUYJV-MJGOQNOKSA-N 1 3 335.536 3.264 20 30 EGEDHO COCCC[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392486 460354087 /nfs/dbraw/zinc/35/40/87/460354087.db2.gz XXIYQHIDDAIYHX-HXUWFJFHSA-N 1 3 327.472 3.026 20 30 EGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000657969049 462332115 /nfs/dbraw/zinc/33/21/15/462332115.db2.gz IMKPJTOXKPYGSJ-JRGCBEDISA-N 1 3 328.500 3.478 20 30 EGEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](CC)N2CCCC2)c1 ZINC000303882718 1296869757 /nfs/dbraw/zinc/86/97/57/1296869757.db2.gz IIPBKWKOMIJLLZ-HNNXBMFYSA-N 1 3 348.491 3.085 20 30 EGEDHO CCc1ccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1 ZINC000303902790 1296877961 /nfs/dbraw/zinc/87/79/61/1296877961.db2.gz UCCXANCJBSAUNZ-UHFFFAOYSA-N 1 3 336.483 3.424 20 30 EGEDHO CCN(CC)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CC(C)C ZINC000304508363 1296930086 /nfs/dbraw/zinc/93/00/86/1296930086.db2.gz VTDOJNFQUPRCLM-FUHWJXTLSA-N 1 3 346.519 3.171 20 30 EGEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NC1CCCCCC1 ZINC000305738527 1297039918 /nfs/dbraw/zinc/03/99/18/1297039918.db2.gz ABRUSOQLWDKXJR-UHFFFAOYSA-N 1 3 328.504 3.062 20 30 EGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513735 1298240312 /nfs/dbraw/zinc/24/03/12/1298240312.db2.gz PEQAOCLLSYRKAQ-QAPCUYQASA-N 1 3 325.481 3.477 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957598623 1317487583 /nfs/dbraw/zinc/48/75/83/1317487583.db2.gz DEYIOVHMMWOUDF-LJQANCHMSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696468 1319819025 /nfs/dbraw/zinc/81/90/25/1319819025.db2.gz NUQALFUYULWQKH-UXHICEINSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696468 1319819034 /nfs/dbraw/zinc/81/90/34/1319819034.db2.gz NUQALFUYULWQKH-UXHICEINSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947309563 1333083895 /nfs/dbraw/zinc/08/38/95/1333083895.db2.gz FMAMCBHKJRYHRM-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947309563 1333083899 /nfs/dbraw/zinc/08/38/99/1333083899.db2.gz FMAMCBHKJRYHRM-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948065148 1333360984 /nfs/dbraw/zinc/36/09/84/1333360984.db2.gz HTKYGVYQWCKUKN-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948065148 1333360986 /nfs/dbraw/zinc/36/09/86/1333360986.db2.gz HTKYGVYQWCKUKN-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CCCC ZINC001039458212 1345078001 /nfs/dbraw/zinc/07/80/01/1345078001.db2.gz JXDHSEDSUPEZBX-AABGKKOBSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CCCC ZINC001039458212 1345078002 /nfs/dbraw/zinc/07/80/02/1345078002.db2.gz JXDHSEDSUPEZBX-AABGKKOBSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040431414 1345494608 /nfs/dbraw/zinc/49/46/08/1345494608.db2.gz IBBSFSJCDVEOLY-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040431414 1345494610 /nfs/dbraw/zinc/49/46/10/1345494610.db2.gz IBBSFSJCDVEOLY-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063379 1345933485 /nfs/dbraw/zinc/93/34/85/1345933485.db2.gz VTQDVCDNKUVRMZ-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063379 1345933486 /nfs/dbraw/zinc/93/34/86/1345933486.db2.gz VTQDVCDNKUVRMZ-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049765845 1348009584 /nfs/dbraw/zinc/00/95/84/1348009584.db2.gz IGUPLQHGABPSAG-VAMGGRTRSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049765845 1348009587 /nfs/dbraw/zinc/00/95/87/1348009587.db2.gz IGUPLQHGABPSAG-VAMGGRTRSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052860011 1348705898 /nfs/dbraw/zinc/70/58/98/1348705898.db2.gz PIAADVLFIPATIH-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052860011 1348705901 /nfs/dbraw/zinc/70/59/01/1348705901.db2.gz PIAADVLFIPATIH-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001088395024 1359871069 /nfs/dbraw/zinc/87/10/69/1359871069.db2.gz VCLCHVGVDWAYCQ-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001088430586 1359898613 /nfs/dbraw/zinc/89/86/13/1359898613.db2.gz SVVWMQTZGFEAIB-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382563 1360384261 /nfs/dbraw/zinc/38/42/61/1360384261.db2.gz UDKIDRLUDYYDGA-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382563 1360384264 /nfs/dbraw/zinc/38/42/64/1360384264.db2.gz UDKIDRLUDYYDGA-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089384252 1360386022 /nfs/dbraw/zinc/38/60/22/1360386022.db2.gz BMZVTRNFZOMPTD-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089384252 1360386025 /nfs/dbraw/zinc/38/60/25/1360386025.db2.gz BMZVTRNFZOMPTD-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400604 1360400191 /nfs/dbraw/zinc/40/01/91/1360400191.db2.gz JWRGFERJBCWFFY-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400604 1360400192 /nfs/dbraw/zinc/40/01/92/1360400192.db2.gz JWRGFERJBCWFFY-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089648529 1360561942 /nfs/dbraw/zinc/56/19/42/1360561942.db2.gz LYPHJZMGKVBNAP-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089648529 1360561944 /nfs/dbraw/zinc/56/19/44/1360561944.db2.gz LYPHJZMGKVBNAP-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578894 1387497551 /nfs/dbraw/zinc/49/75/51/1387497551.db2.gz ZXFDYCISTZIEQW-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504591 1365090611 /nfs/dbraw/zinc/09/06/11/1365090611.db2.gz UZHIMFAOKXERAN-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504591 1365090616 /nfs/dbraw/zinc/09/06/16/1365090616.db2.gz UZHIMFAOKXERAN-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156394 1365413555 /nfs/dbraw/zinc/41/35/55/1365413555.db2.gz BBMHMQPUOVMQLZ-FGTMMUONSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156394 1365413556 /nfs/dbraw/zinc/41/35/56/1365413556.db2.gz BBMHMQPUOVMQLZ-FGTMMUONSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001105537559 1366517226 /nfs/dbraw/zinc/51/72/26/1366517226.db2.gz TZNJRWFCPQUTAB-RBUKOAKNSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544719 1366521639 /nfs/dbraw/zinc/52/16/39/1366521639.db2.gz RHYUSTCVSIFSRO-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665076 1366768687 /nfs/dbraw/zinc/76/86/87/1366768687.db2.gz HACFKAYGPMJUDX-CEXWTWQISA-N 1 3 337.552 3.125 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581937 1367056087 /nfs/dbraw/zinc/05/60/87/1367056087.db2.gz QOLCEFKTGVFBOO-UYAOXDASSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581937 1367056092 /nfs/dbraw/zinc/05/60/92/1367056092.db2.gz QOLCEFKTGVFBOO-UYAOXDASSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173775 1367190264 /nfs/dbraw/zinc/19/02/64/1367190264.db2.gz AITVCQCYPMGJEX-MSOLQXFVSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173775 1367190266 /nfs/dbraw/zinc/19/02/66/1367190266.db2.gz AITVCQCYPMGJEX-MSOLQXFVSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173777 1367190821 /nfs/dbraw/zinc/19/08/21/1367190821.db2.gz AITVCQCYPMGJEX-QZTJIDSGSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173777 1367190825 /nfs/dbraw/zinc/19/08/25/1367190825.db2.gz AITVCQCYPMGJEX-QZTJIDSGSA-N 1 3 335.536 3.138 20 30 EGEDHO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201847692 1369634137 /nfs/dbraw/zinc/63/41/37/1369634137.db2.gz ZLILEKKSYSOJSC-AABGKKOBSA-N 1 3 347.551 3.423 20 30 EGEDHO CCCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201847692 1369634142 /nfs/dbraw/zinc/63/41/42/1369634142.db2.gz ZLILEKKSYSOJSC-AABGKKOBSA-N 1 3 347.551 3.423 20 30 EGEDHO C[C@@]1(C[NH3+])CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC001206311205 1371018035 /nfs/dbraw/zinc/01/80/35/1371018035.db2.gz LAUCYLJHIKEHCM-MRXNPFEDSA-N 1 3 336.277 3.272 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952369 1371242978 /nfs/dbraw/zinc/24/29/78/1371242978.db2.gz LWZHGSHQJODEFV-MJGOQNOKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2CCCC)CCCCC1 ZINC001119990433 1371445447 /nfs/dbraw/zinc/44/54/47/1371445447.db2.gz YTCWIWIQWHYDEW-SFHVURJKSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429784 1371572815 /nfs/dbraw/zinc/57/28/15/1371572815.db2.gz BDTOIRWSLXBSEP-PMACEKPBSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429784 1371572819 /nfs/dbraw/zinc/57/28/19/1371572819.db2.gz BDTOIRWSLXBSEP-PMACEKPBSA-N 1 3 349.563 3.388 20 30 EGEDHO CC[NH+]1CCC(CN2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001208603574 1371837441 /nfs/dbraw/zinc/83/74/41/1371837441.db2.gz DZBHFOXEVZDPFW-UHFFFAOYSA-N 1 3 329.463 3.415 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246359 1371907075 /nfs/dbraw/zinc/90/70/75/1371907075.db2.gz MTAHVIQNUCRYST-FCOWATRHSA-N 1 3 349.563 3.314 20 30 EGEDHO N#Cc1ccc(CCN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925778 1371947455 /nfs/dbraw/zinc/94/74/55/1371947455.db2.gz RIRMPBZKSNGGPJ-OALUTQOASA-N 1 3 337.492 3.226 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001122186635 1372196327 /nfs/dbraw/zinc/19/63/27/1372196327.db2.gz VOYCMYWTCYMPJZ-HXUWFJFHSA-N 1 3 343.515 3.089 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241678 1372510111 /nfs/dbraw/zinc/51/01/11/1372510111.db2.gz WJDIMWAVPRNHGO-FXAWDEMLSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(CN1CCCCC1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001211436460 1372558468 /nfs/dbraw/zinc/55/84/68/1372558468.db2.gz MERUWJWRUZGTKZ-UHFFFAOYSA-N 1 3 326.444 3.297 20 30 EGEDHO C=CCCC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001225551597 1375123282 /nfs/dbraw/zinc/12/32/82/1375123282.db2.gz PFYZYLRLRILOSC-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892895 1375629374 /nfs/dbraw/zinc/62/93/74/1375629374.db2.gz JXFPARIXNNDHMS-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181934 1375827221 /nfs/dbraw/zinc/82/72/21/1375827221.db2.gz LHQFXAJADMEILK-OALUTQOASA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085036 1380405236 /nfs/dbraw/zinc/40/52/36/1380405236.db2.gz IDWCKGODHFPWLB-QZTJIDSGSA-N 1 3 325.541 3.146 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085036 1380405238 /nfs/dbraw/zinc/40/52/38/1380405238.db2.gz IDWCKGODHFPWLB-QZTJIDSGSA-N 1 3 325.541 3.146 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158625355 1381328662 /nfs/dbraw/zinc/32/86/62/1381328662.db2.gz PNZDQNSSSGDFMC-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158625355 1381328665 /nfs/dbraw/zinc/32/86/65/1381328665.db2.gz PNZDQNSSSGDFMC-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406696 1382096628 /nfs/dbraw/zinc/09/66/28/1382096628.db2.gz SRBKSNFTPLRHOS-HKUYNNGSSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406696 1382096633 /nfs/dbraw/zinc/09/66/33/1382096633.db2.gz SRBKSNFTPLRHOS-HKUYNNGSSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391051 1382395283 /nfs/dbraw/zinc/39/52/83/1382395283.db2.gz ODBWHSPUIHXSMJ-HXUWFJFHSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391051 1382395287 /nfs/dbraw/zinc/39/52/87/1382395287.db2.gz ODBWHSPUIHXSMJ-HXUWFJFHSA-N 1 3 347.547 3.354 20 30 EGEDHO CC1(C)C[C@@H](NC(=N)c2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001171970634 1384699094 /nfs/dbraw/zinc/69/90/94/1384699094.db2.gz DTFAIVKLCNIITE-KRWDZBQOSA-N 1 3 340.446 3.369 20 30 EGEDHO CC1(C)C[C@@H](NC(=N)c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171970634 1384699097 /nfs/dbraw/zinc/69/90/97/1384699097.db2.gz DTFAIVKLCNIITE-KRWDZBQOSA-N 1 3 340.446 3.369 20 30 EGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172299679 1384763324 /nfs/dbraw/zinc/76/33/24/1384763324.db2.gz NVMGCKBBUUSIOA-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175574344 1385336679 /nfs/dbraw/zinc/33/66/79/1385336679.db2.gz VIJXSABLXZFRKW-RTBURBONSA-N 1 3 337.552 3.480 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177415706 1385948627 /nfs/dbraw/zinc/94/86/27/1385948627.db2.gz IWADIPPUQGYZTC-LJQANCHMSA-N 1 3 349.563 3.293 20 30 EGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180365987 1386775105 /nfs/dbraw/zinc/77/51/05/1386775105.db2.gz SBVVZRORZGOCHW-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001353535798 1392034940 /nfs/dbraw/zinc/03/49/40/1392034940.db2.gz WCYKKQPOLUTXTN-HXUWFJFHSA-N 1 3 343.515 3.041 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001353535798 1392034942 /nfs/dbraw/zinc/03/49/42/1392034942.db2.gz WCYKKQPOLUTXTN-HXUWFJFHSA-N 1 3 343.515 3.041 20 30 EGEDHO C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753793902 1440489316 /nfs/dbraw/zinc/48/93/16/1440489316.db2.gz IIZVLAKYXBKICS-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001755024356 1440728131 /nfs/dbraw/zinc/72/81/31/1440728131.db2.gz XIBWXLPCCPQWLR-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001755024356 1440728132 /nfs/dbraw/zinc/72/81/32/1440728132.db2.gz XIBWXLPCCPQWLR-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755144049 1440762495 /nfs/dbraw/zinc/76/24/95/1440762495.db2.gz VYQZAIDZZFETAE-SFHVURJKSA-N 1 3 346.519 3.224 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755144049 1440762496 /nfs/dbraw/zinc/76/24/96/1440762496.db2.gz VYQZAIDZZFETAE-SFHVURJKSA-N 1 3 346.519 3.224 20 30 EGEDHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488411761 267058720 /nfs/dbraw/zinc/05/87/20/267058720.db2.gz BQYHYIYXYYGTCL-UHFFFAOYSA-N 1 3 329.488 3.190 20 30 EGEDHO N#Cc1ccc(N2CCC([NH2+]CCNC3CCCCCC3)CC2)cc1 ZINC000579822498 325163409 /nfs/dbraw/zinc/16/34/09/325163409.db2.gz WLARVFKTFUUUPU-UHFFFAOYSA-N 1 3 340.515 3.429 20 30 EGEDHO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000121024618 454379562 /nfs/dbraw/zinc/37/95/62/454379562.db2.gz ZIQXAFVGAGGVNX-OAQYLSRUSA-N 1 3 328.500 3.478 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248236 455471605 /nfs/dbraw/zinc/47/16/05/455471605.db2.gz YOSKIMXRQHOLSK-HTAPYJJXSA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248236 455471607 /nfs/dbraw/zinc/47/16/07/455471607.db2.gz YOSKIMXRQHOLSK-HTAPYJJXSA-N 1 3 349.478 3.366 20 30 EGEDHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000284309190 455667354 /nfs/dbraw/zinc/66/73/54/455667354.db2.gz JIGRDZQGWWMVOE-ROUUACIJSA-N 1 3 327.472 3.332 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290368137 456306905 /nfs/dbraw/zinc/30/69/05/456306905.db2.gz HFZYNFKEYDFNHS-FQEVSTJZSA-N 1 3 340.515 3.200 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290368137 456306913 /nfs/dbraw/zinc/30/69/13/456306913.db2.gz HFZYNFKEYDFNHS-FQEVSTJZSA-N 1 3 340.515 3.200 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347031321 457197841 /nfs/dbraw/zinc/19/78/41/457197841.db2.gz YSTSWTBPAZHYMP-SFHVURJKSA-N 1 3 330.472 3.224 20 30 EGEDHO N#C[C@@H]1CCC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000361467415 457740676 /nfs/dbraw/zinc/74/06/76/457740676.db2.gz UUGMVOVHTJRSCA-MOPGFXCFSA-N 1 3 327.472 3.333 20 30 EGEDHO C=CC[C@H]1N(CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000444783998 457976719 /nfs/dbraw/zinc/97/67/19/457976719.db2.gz MLLGIRPCDVATPM-GOSISDBHSA-N 1 3 335.536 3.042 20 30 EGEDHO CN(C(=O)C(C#N)CCc1ccccc1)C(C)(C)C[NH+]1CCCC1 ZINC000416335313 458342337 /nfs/dbraw/zinc/34/23/37/458342337.db2.gz UUDLSTFJVCMHHU-GOSISDBHSA-N 1 3 327.472 3.092 20 30 EGEDHO N#C[C@H]1CC[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000442783358 459035430 /nfs/dbraw/zinc/03/54/30/459035430.db2.gz QAFYFQMYNMOKNJ-PMACEKPBSA-N 1 3 341.499 3.340 20 30 EGEDHO C[C@@H](CCC#N)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000602521978 459981012 /nfs/dbraw/zinc/98/10/12/459981012.db2.gz UQNIBQOEWNQVMM-IBGZPJMESA-N 1 3 328.504 3.118 20 30 EGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000611393082 460354063 /nfs/dbraw/zinc/35/40/63/460354063.db2.gz IDCSZQSRBRGIJI-DYESRHJHSA-N 1 3 339.483 3.026 20 30 EGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000657919099 462317244 /nfs/dbraw/zinc/31/72/44/462317244.db2.gz KBHJDFOIAAHMGS-ICSRJNTNSA-N 1 3 343.515 3.203 20 30 EGEDHO CC[C@@H](C)N(C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160710502 1294274913 /nfs/dbraw/zinc/27/49/13/1294274913.db2.gz VMVKIJDOROLORZ-LLVKDONJSA-N 1 3 332.370 3.042 20 30 EGEDHO C=CCc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000164518300 1294348767 /nfs/dbraw/zinc/34/87/67/1294348767.db2.gz LSJQHBFGMQKFHZ-WMZOPIPTSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000164518300 1294348772 /nfs/dbraw/zinc/34/87/72/1294348772.db2.gz LSJQHBFGMQKFHZ-WMZOPIPTSA-N 1 3 330.472 3.045 20 30 EGEDHO Cc1ccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1C ZINC000303905162 1296877459 /nfs/dbraw/zinc/87/74/59/1296877459.db2.gz VJUWWZFOIMFWIL-UHFFFAOYSA-N 1 3 336.483 3.478 20 30 EGEDHO C[C@H]1C[NH+]=C(NCCCN(Cc2ccccc2)Cc2ccccc2)N1 ZINC000390809896 1297634353 /nfs/dbraw/zinc/63/43/53/1297634353.db2.gz RKIBAJVZSPUTIP-SFHVURJKSA-N 1 3 336.483 3.016 20 30 EGEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647533 1317519204 /nfs/dbraw/zinc/51/92/04/1317519204.db2.gz LSMWWNSAYATMEY-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716921 1343649197 /nfs/dbraw/zinc/64/91/97/1343649197.db2.gz NQWBVFLZRZSMAE-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716921 1343649201 /nfs/dbraw/zinc/64/92/01/1343649201.db2.gz NQWBVFLZRZSMAE-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044864475 1346449091 /nfs/dbraw/zinc/44/90/91/1346449091.db2.gz WYBHQSOUPDEFLC-YJBOKZPZSA-N 1 3 349.906 3.083 20 30 EGEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045972763 1346808589 /nfs/dbraw/zinc/80/85/89/1346808589.db2.gz ICAYNUSVEAUDIM-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045972763 1346808592 /nfs/dbraw/zinc/80/85/92/1346808592.db2.gz ICAYNUSVEAUDIM-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954367 1348768167 /nfs/dbraw/zinc/76/81/67/1348768167.db2.gz NCZRWNSZHHGABG-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954367 1348768169 /nfs/dbraw/zinc/76/81/69/1348768169.db2.gz NCZRWNSZHHGABG-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209238 1349210461 /nfs/dbraw/zinc/21/04/61/1349210461.db2.gz MAXOZVKFFFMAOI-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209238 1349210463 /nfs/dbraw/zinc/21/04/63/1349210463.db2.gz MAXOZVKFFFMAOI-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457601 1360444778 /nfs/dbraw/zinc/44/47/78/1360444778.db2.gz CEDBEBMQYZZKSF-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457601 1360444780 /nfs/dbraw/zinc/44/47/80/1360444780.db2.gz CEDBEBMQYZZKSF-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089711530 1360614859 /nfs/dbraw/zinc/61/48/59/1360614859.db2.gz WQFDWFKDEYIICB-IBGZPJMESA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089711531 1360615084 /nfs/dbraw/zinc/61/50/84/1360615084.db2.gz WQFDWFKDEYIICB-LJQANCHMSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718186 1360620249 /nfs/dbraw/zinc/62/02/49/1360620249.db2.gz LVIQVMXMUMKAGE-LJQANCHMSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001099069223 1363605551 /nfs/dbraw/zinc/60/55/51/1363605551.db2.gz CIGMSJIEAUMKLO-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001099069223 1363605552 /nfs/dbraw/zinc/60/55/52/1363605552.db2.gz CIGMSJIEAUMKLO-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001099348668 1363764745 /nfs/dbraw/zinc/76/47/45/1363764745.db2.gz JXKHQOBMTLYARQ-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001099348668 1363764747 /nfs/dbraw/zinc/76/47/47/1363764747.db2.gz JXKHQOBMTLYARQ-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287653 1365976784 /nfs/dbraw/zinc/97/67/84/1365976784.db2.gz JHTIRYBDVSUIBW-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348593 1365982347 /nfs/dbraw/zinc/98/23/47/1365982347.db2.gz KAZNVQJSPOYOLX-GUDVDZBRSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691183 1366131943 /nfs/dbraw/zinc/13/19/43/1366131943.db2.gz KWIPRQRKEUFGOP-QRVBRYPASA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105541636 1366520050 /nfs/dbraw/zinc/52/00/50/1366520050.db2.gz GOVMQEPXMKFTEY-IBGZPJMESA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105564056 1366533148 /nfs/dbraw/zinc/53/31/48/1366533148.db2.gz VSGRBEXPDVWAEO-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106775702 1366794618 /nfs/dbraw/zinc/79/46/18/1366794618.db2.gz ZJKIXUPEAIZRTM-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552159 1367038984 /nfs/dbraw/zinc/03/89/84/1367038984.db2.gz HMJBBTBGCGAOEX-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552159 1367038990 /nfs/dbraw/zinc/03/89/90/1367038990.db2.gz HMJBBTBGCGAOEX-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001112380703 1368807841 /nfs/dbraw/zinc/80/78/41/1368807841.db2.gz VJTXVGNEESKTIY-ZVDOUQERSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259475 1368991294 /nfs/dbraw/zinc/99/12/94/1368991294.db2.gz MFWQEGBZAGKCCK-FQEVSTJZSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605757 1387985079 /nfs/dbraw/zinc/98/50/79/1387985079.db2.gz TTZIVGVQRSNVDJ-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001186605757 1387985082 /nfs/dbraw/zinc/98/50/82/1387985082.db2.gz TTZIVGVQRSNVDJ-LJQANCHMSA-N 1 3 349.563 3.245 20 30 EGEDHO CCCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201813922 1369628045 /nfs/dbraw/zinc/62/80/45/1369628045.db2.gz KWIBJNCQNOWSEA-QYZOEREBSA-N 1 3 333.524 3.033 20 30 EGEDHO CCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201813922 1369628047 /nfs/dbraw/zinc/62/80/47/1369628047.db2.gz KWIBJNCQNOWSEA-QYZOEREBSA-N 1 3 333.524 3.033 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203895920 1370303875 /nfs/dbraw/zinc/30/38/75/1370303875.db2.gz CCVNGLSALVZSKF-KRWDZBQOSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCCC1 ZINC001115760822 1370745028 /nfs/dbraw/zinc/74/50/28/1370745028.db2.gz UQMAKXAAXVSCHA-GOSISDBHSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391358 1371558494 /nfs/dbraw/zinc/55/84/94/1371558494.db2.gz ASNQQSHSTLMBCP-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001120391358 1371558497 /nfs/dbraw/zinc/55/84/97/1371558497.db2.gz ASNQQSHSTLMBCP-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001121778989 1372078710 /nfs/dbraw/zinc/07/87/10/1372078710.db2.gz HQPLRCWPVLKRLG-GUYFDXGHSA-N 1 3 347.547 3.090 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183036 1372289799 /nfs/dbraw/zinc/28/97/99/1372289799.db2.gz KFJUSJHMJRVHJU-OALUTQOASA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611213 1373089545 /nfs/dbraw/zinc/08/95/45/1373089545.db2.gz UOFLTQQUZNXVCZ-QRVBRYPASA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001221933674 1373806477 /nfs/dbraw/zinc/80/64/77/1373806477.db2.gz KGIZCULVAOLJLI-VAMGGRTRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001221933674 1373806481 /nfs/dbraw/zinc/80/64/81/1373806481.db2.gz KGIZCULVAOLJLI-VAMGGRTRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132823580 1375584068 /nfs/dbraw/zinc/58/40/68/1375584068.db2.gz IQIQSCVWYKEUKD-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCCCC ZINC001229180387 1375782407 /nfs/dbraw/zinc/78/24/07/1375782407.db2.gz HIGSOGRAIKQPOH-RTBURBONSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611105 1376100910 /nfs/dbraw/zinc/10/09/10/1376100910.db2.gz LZIOIIGANJDSQY-HXUWFJFHSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611105 1376100914 /nfs/dbraw/zinc/10/09/14/1376100914.db2.gz LZIOIIGANJDSQY-HXUWFJFHSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc3cnccc3[nH]1)CC2 ZINC001232013362 1376382620 /nfs/dbraw/zinc/38/26/20/1376382620.db2.gz MJQDYLNXZQFOTC-FQEVSTJZSA-N 1 3 338.455 3.096 20 30 EGEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3cnccc3[nH]1)CC2 ZINC001232013362 1376382625 /nfs/dbraw/zinc/38/26/25/1376382625.db2.gz MJQDYLNXZQFOTC-FQEVSTJZSA-N 1 3 338.455 3.096 20 30 EGEDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293316 /nfs/dbraw/zinc/29/33/16/1378293316.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 1 3 333.435 3.344 20 30 EGEDHO CN1C[C@@H]2C[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293321 /nfs/dbraw/zinc/29/33/21/1378293321.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 1 3 333.435 3.344 20 30 EGEDHO C=CCCCCC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168595508 1383944599 /nfs/dbraw/zinc/94/45/99/1383944599.db2.gz JRRRRCJBQFTJFQ-UHFFFAOYSA-N 1 3 325.541 3.341 20 30 EGEDHO CC[NH+](CC)C1CCC(N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001173108094 1384916499 /nfs/dbraw/zinc/91/64/99/1384916499.db2.gz DJGHKHSVERODJV-UHFFFAOYSA-N 1 3 340.515 3.333 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177317022 1385911056 /nfs/dbraw/zinc/91/10/56/1385911056.db2.gz MTLZHMLLTBSAEN-LJQANCHMSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1CC ZINC001177488703 1385975969 /nfs/dbraw/zinc/97/59/69/1385975969.db2.gz IGIHXHLQBUZESY-LJQANCHMSA-N 1 3 335.536 3.045 20 30 EGEDHO C[C@H]1C[C@H](NCCNc2ncccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001347441807 1391075512 /nfs/dbraw/zinc/07/55/12/1391075512.db2.gz JZPFLNVLFOIYNB-FXAWDEMLSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@H]1C[C@H](NCCNc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001347441807 1391075514 /nfs/dbraw/zinc/07/55/14/1391075514.db2.gz JZPFLNVLFOIYNB-FXAWDEMLSA-N 1 3 349.482 3.008 20 30 EGEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001755211719 1440783237 /nfs/dbraw/zinc/78/32/37/1440783237.db2.gz UVIBHVQQNCQCSY-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001755211719 1440783238 /nfs/dbraw/zinc/78/32/38/1440783238.db2.gz UVIBHVQQNCQCSY-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001755869593 1440938810 /nfs/dbraw/zinc/93/88/10/1440938810.db2.gz KXQUTNNHVBHNSP-ROUUACIJSA-N 1 3 347.547 3.186 20 30 EGEDHO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCNC1 ZINC000562960619 315930738 /nfs/dbraw/zinc/93/07/38/315930738.db2.gz RQKMHFQDACJCLX-FLODPWGTSA-N 1 3 327.472 3.226 20 30 EGEDHO CC[NH+]1CCN(c2ccccc2CN(C)Cc2cccc(C#N)c2)CC1 ZINC000130776133 454218435 /nfs/dbraw/zinc/21/84/35/454218435.db2.gz WYJMHFJEZGAGOR-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO C[C@H]1CN(CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)C[C@H](C)O1 ZINC000126337664 454886987 /nfs/dbraw/zinc/88/69/87/454886987.db2.gz VZNFUOJMUICYIX-KHQYNDFOSA-N 1 3 341.499 3.089 20 30 EGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181616137 455363260 /nfs/dbraw/zinc/36/32/60/455363260.db2.gz ICVYFENZFSOZGS-KURKYZTESA-N 1 3 345.487 3.129 20 30 EGEDHO CC(C)c1cccc(NC(=[NH2+])NCC2(N3CCCC3)CCOCC2)c1 ZINC000267473187 455552002 /nfs/dbraw/zinc/55/20/02/455552002.db2.gz YMLPAQWUXCOYAF-UHFFFAOYSA-N 1 3 344.503 3.182 20 30 EGEDHO CC1CC[NH+](CCCCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433228809 457785906 /nfs/dbraw/zinc/78/59/06/457785906.db2.gz AXAPNRNSHLVKKI-FQEVSTJZSA-N 1 3 341.499 3.387 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512617774 458787218 /nfs/dbraw/zinc/78/72/18/458787218.db2.gz GRXHBZJGMFUGDM-JSXRDJHFSA-N 1 3 328.500 3.061 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611392619 460354247 /nfs/dbraw/zinc/35/42/47/460354247.db2.gz YZAIDWIIXCYCEU-LLGFUMIMSA-N 1 3 341.499 3.415 20 30 EGEDHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807464 460468755 /nfs/dbraw/zinc/46/87/55/460468755.db2.gz MFJULNQREALRON-JTSKRJEESA-N 1 3 349.478 3.333 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000303885203 1296867295 /nfs/dbraw/zinc/86/72/95/1296867295.db2.gz JNQVKIYBZBKITO-HZPDHXFCSA-N 1 3 332.492 3.321 20 30 EGEDHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303889492 1296871809 /nfs/dbraw/zinc/87/18/09/1296871809.db2.gz LYASZZNQRFABAY-UHFFFAOYSA-N 1 3 344.381 3.188 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000303911719 1296880929 /nfs/dbraw/zinc/88/09/29/1296880929.db2.gz ZTUVHEPVABJABY-CHWSQXEVSA-N 1 3 338.883 3.196 20 30 EGEDHO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311739129 1297111112 /nfs/dbraw/zinc/11/11/12/1297111112.db2.gz AZYYRGUFAMMQDX-MTNREXPMSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311739129 1297111118 /nfs/dbraw/zinc/11/11/18/1297111118.db2.gz AZYYRGUFAMMQDX-MTNREXPMSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739129 1297111127 /nfs/dbraw/zinc/11/11/27/1297111127.db2.gz AZYYRGUFAMMQDX-MTNREXPMSA-N 1 3 349.478 3.092 20 30 EGEDHO C[NH+]1CCC([C@@H]2CCN(Cn3ccc(-c4ccc(C#N)cc4)n3)C2)CC1 ZINC000755776203 1300394516 /nfs/dbraw/zinc/39/45/16/1300394516.db2.gz YFZCNDXCKHLPSW-HXUWFJFHSA-N 1 3 349.482 3.043 20 30 EGEDHO C#CCOc1cccc(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000775022084 1303890999 /nfs/dbraw/zinc/89/09/99/1303890999.db2.gz CUEBCCPUUQALAZ-UHFFFAOYSA-N 1 3 332.875 3.316 20 30 EGEDHO C#CCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000781421610 1304825103 /nfs/dbraw/zinc/82/51/03/1304825103.db2.gz HTCSWFOZKOKMNB-HSALFYBXSA-N 1 3 328.525 3.243 20 30 EGEDHO CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817916973 1319460019 /nfs/dbraw/zinc/46/00/19/1319460019.db2.gz BXGNBVRRBWCNRS-RDTXWAMCSA-N 1 3 338.455 3.381 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413327 1319568502 /nfs/dbraw/zinc/56/85/02/1319568502.db2.gz YWWFANNTYWZSSM-PMACEKPBSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413327 1319568509 /nfs/dbraw/zinc/56/85/09/1319568509.db2.gz YWWFANNTYWZSSM-PMACEKPBSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624069 1324474918 /nfs/dbraw/zinc/47/49/18/1324474918.db2.gz AYJJAXCJPWEOQH-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624069 1324474922 /nfs/dbraw/zinc/47/49/22/1324474922.db2.gz AYJJAXCJPWEOQH-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945088471 1332496565 /nfs/dbraw/zinc/49/65/65/1332496565.db2.gz BSLMMEKSWKMQML-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945088471 1332496567 /nfs/dbraw/zinc/49/65/67/1332496567.db2.gz BSLMMEKSWKMQML-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593831 1333588786 /nfs/dbraw/zinc/58/87/86/1333588786.db2.gz IMPGMFMYUQPMBG-INIZCTEOSA-N 1 3 346.862 3.013 20 30 EGEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001006083666 1336449325 /nfs/dbraw/zinc/44/93/25/1336449325.db2.gz LPHXPFQVSRHDPL-IBGZPJMESA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034290208 1342376326 /nfs/dbraw/zinc/37/63/26/1342376326.db2.gz YSCWJMZDRLGQTA-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034290208 1342376329 /nfs/dbraw/zinc/37/63/29/1342376329.db2.gz YSCWJMZDRLGQTA-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CCCC ZINC001039458213 1345077808 /nfs/dbraw/zinc/07/78/08/1345077808.db2.gz JXDHSEDSUPEZBX-HSALFYBXSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CCCC ZINC001039458213 1345077811 /nfs/dbraw/zinc/07/78/11/1345077811.db2.gz JXDHSEDSUPEZBX-HSALFYBXSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001040953893 1345609317 /nfs/dbraw/zinc/60/93/17/1345609317.db2.gz SVHXNWZRXCUPDV-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063378 1345933437 /nfs/dbraw/zinc/93/34/37/1345933437.db2.gz VTQDVCDNKUVRMZ-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063378 1345933438 /nfs/dbraw/zinc/93/34/38/1345933438.db2.gz VTQDVCDNKUVRMZ-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966431 1346801287 /nfs/dbraw/zinc/80/12/87/1346801287.db2.gz WMTQQDXUGHZJKI-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966431 1346801292 /nfs/dbraw/zinc/80/12/92/1346801292.db2.gz WMTQQDXUGHZJKI-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530733 1347580127 /nfs/dbraw/zinc/58/01/27/1347580127.db2.gz AATRVKXCAYBTHQ-YRPNKDGESA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530733 1347580130 /nfs/dbraw/zinc/58/01/30/1347580130.db2.gz AATRVKXCAYBTHQ-YRPNKDGESA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476982 1347868208 /nfs/dbraw/zinc/86/82/08/1347868208.db2.gz DXPCNSRMIOOWFS-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476982 1347868212 /nfs/dbraw/zinc/86/82/12/1347868212.db2.gz DXPCNSRMIOOWFS-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001052763166 1348668715 /nfs/dbraw/zinc/66/87/15/1348668715.db2.gz DOPKVBJXUXIWJK-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001052763166 1348668717 /nfs/dbraw/zinc/66/87/17/1348668717.db2.gz DOPKVBJXUXIWJK-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088537 1348914299 /nfs/dbraw/zinc/91/42/99/1348914299.db2.gz XCZHXPWDEZPHRE-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088537 1348914302 /nfs/dbraw/zinc/91/43/02/1348914302.db2.gz XCZHXPWDEZPHRE-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597742 1358623635 /nfs/dbraw/zinc/62/36/35/1358623635.db2.gz FHUKWJDGZKTZEQ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597742 1358623639 /nfs/dbraw/zinc/62/36/39/1358623639.db2.gz FHUKWJDGZKTZEQ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792005 1359648355 /nfs/dbraw/zinc/64/83/55/1359648355.db2.gz IKQOXUOHCSESHU-OTWHNJEPSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792005 1359648358 /nfs/dbraw/zinc/64/83/58/1359648358.db2.gz IKQOXUOHCSESHU-OTWHNJEPSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510610 1360482226 /nfs/dbraw/zinc/48/22/26/1360482226.db2.gz YVCWDRSGSWESRY-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510610 1360482228 /nfs/dbraw/zinc/48/22/28/1360482228.db2.gz YVCWDRSGSWESRY-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001089663593 1360573666 /nfs/dbraw/zinc/57/36/66/1360573666.db2.gz QDKTUKCPOAFBPR-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001089663593 1360573668 /nfs/dbraw/zinc/57/36/68/1360573668.db2.gz QDKTUKCPOAFBPR-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099251415 1363713773 /nfs/dbraw/zinc/71/37/73/1363713773.db2.gz JRRXIQHPPRREII-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251415 1363713770 /nfs/dbraw/zinc/71/37/70/1363713770.db2.gz JRRXIQHPPRREII-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099251415 1363713775 /nfs/dbraw/zinc/71/37/75/1363713775.db2.gz JRRXIQHPPRREII-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001185317416 1387681393 /nfs/dbraw/zinc/68/13/93/1387681393.db2.gz PHLGEXCGHYECAL-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001101583292 1364635281 /nfs/dbraw/zinc/63/52/81/1364635281.db2.gz PLGQWNWNWQRTFJ-UHFFFAOYSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563193 1366532745 /nfs/dbraw/zinc/53/27/45/1366532745.db2.gz GKUMPVYTVGDVIB-MOPGFXCFSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111463265 1368311049 /nfs/dbraw/zinc/31/10/49/1368311049.db2.gz HDNQPRHCUKYGGA-ZRNYENFQSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111463265 1368311055 /nfs/dbraw/zinc/31/10/55/1368311055.db2.gz HDNQPRHCUKYGGA-ZRNYENFQSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202928326 1369928764 /nfs/dbraw/zinc/92/87/64/1369928764.db2.gz FCQDPLGJWLDNGB-MSOLQXFVSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521550 1370153500 /nfs/dbraw/zinc/15/35/00/1370153500.db2.gz KGALGXVHBCNBGI-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791687 1370266530 /nfs/dbraw/zinc/26/65/30/1370266530.db2.gz KDQHBWQXXWKLNB-MSOLQXFVSA-N 1 3 337.552 3.314 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208013104 1371567405 /nfs/dbraw/zinc/56/74/05/1371567405.db2.gz AESBJKGUZZNTKQ-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCN1C(=O)CCC[C@]12CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185077 1371627282 /nfs/dbraw/zinc/62/72/82/1371627282.db2.gz IYZMNNOBWVSOSG-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCC2S1 ZINC001208584436 1371827810 /nfs/dbraw/zinc/82/78/10/1371827810.db2.gz FTAJAXXPVISWGD-OALUTQOASA-N 1 3 342.508 3.315 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCC2S1 ZINC001208584436 1371827814 /nfs/dbraw/zinc/82/78/14/1371827814.db2.gz FTAJAXXPVISWGD-OALUTQOASA-N 1 3 342.508 3.315 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC001121103539 1371855184 /nfs/dbraw/zinc/85/51/84/1371855184.db2.gz XQFJOEHDMXKQSD-CGAYHSHTSA-N 1 3 347.547 3.231 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121772866 1372076476 /nfs/dbraw/zinc/07/64/76/1372076476.db2.gz JCAPATYYZUIGIJ-PMRGXDQWSA-N 1 3 347.547 3.092 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106928 1372176188 /nfs/dbraw/zinc/17/61/88/1372176188.db2.gz WDOUZFYHUSZERC-UHFFFAOYSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216841083 1373350150 /nfs/dbraw/zinc/35/01/50/1373350150.db2.gz PAPVDCLFBQHSFB-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544013 1373778946 /nfs/dbraw/zinc/77/89/46/1373778946.db2.gz JXFLGNZRYYQWLR-HSALFYBXSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544013 1373778950 /nfs/dbraw/zinc/77/89/50/1373778950.db2.gz JXFLGNZRYYQWLR-HSALFYBXSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001132523885 1375439377 /nfs/dbraw/zinc/43/93/77/1375439377.db2.gz BLDKOYGCIGALHI-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001132523885 1375439379 /nfs/dbraw/zinc/43/93/79/1375439379.db2.gz BLDKOYGCIGALHI-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO CN(C)Cc1c(O[C@H](CC#N)C[N+](C)(C)C)ccc2ccccc21 ZINC001228440657 1375573368 /nfs/dbraw/zinc/57/33/68/1375573368.db2.gz GWONBHAMJNOSRW-QGZVFWFLSA-N 1 3 326.464 3.269 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132830209 1375586906 /nfs/dbraw/zinc/58/69/06/1375586906.db2.gz BEKQYYIAYNEAOQ-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228931545 1375719160 /nfs/dbraw/zinc/71/91/60/1375719160.db2.gz CVRGIFRVLLYSOR-IPMKNSEASA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133343483 1375933755 /nfs/dbraw/zinc/93/37/55/1375933755.db2.gz YCOUYZMBMHJZHI-MJGOQNOKSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583704 1376608791 /nfs/dbraw/zinc/60/87/91/1376608791.db2.gz NMDPCYWMESEQQO-DLBZAZTESA-N 1 3 325.541 3.314 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691621 1377185355 /nfs/dbraw/zinc/18/53/55/1377185355.db2.gz XREIHGGXIWWWHI-ZWKOTPCHSA-N 1 3 325.541 3.338 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCCC)CC1 ZINC001146612588 1378877580 /nfs/dbraw/zinc/87/75/80/1378877580.db2.gz QHWFQMWJMRNJNL-RBUKOAKNSA-N 1 3 349.563 3.175 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157958474 1381082977 /nfs/dbraw/zinc/08/29/77/1381082977.db2.gz UVFMBWUKUKOADU-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157958474 1381082979 /nfs/dbraw/zinc/08/29/79/1381082979.db2.gz UVFMBWUKUKOADU-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C[C@@H]1CC(NC(=N)c2ccc(F)cn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012574 1383797224 /nfs/dbraw/zinc/79/72/24/1383797224.db2.gz CHLYLOWRQOKSDJ-HUUCEWRRSA-N 1 3 340.446 3.368 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262176 1385232689 /nfs/dbraw/zinc/23/26/89/1385232689.db2.gz COZVZMLJNWFCLV-RTBURBONSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179593173 1386526599 /nfs/dbraw/zinc/52/65/99/1386526599.db2.gz YNILXJKGJMWNFE-GOSISDBHSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182614634 1387197069 /nfs/dbraw/zinc/19/70/69/1387197069.db2.gz LRHOINHQOVNPND-SFHLNBCPSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001754948953 1440714466 /nfs/dbraw/zinc/71/44/66/1440714466.db2.gz SNAPYVASGIWKEB-PXNSSMCTSA-N 1 3 343.515 3.402 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001755028966 1440730356 /nfs/dbraw/zinc/73/03/56/1440730356.db2.gz KIKJRWTUBVGUSB-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001755028966 1440730357 /nfs/dbraw/zinc/73/03/57/1440730357.db2.gz KIKJRWTUBVGUSB-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000181707294 234293567 /nfs/dbraw/zinc/29/35/67/234293567.db2.gz DDZCDXSHSIVJIQ-QGZVFWFLSA-N 1 3 349.478 3.366 20 30 EGEDHO C=CCN(CC=C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298594294 132393177 /nfs/dbraw/zinc/39/31/77/132393177.db2.gz YPTXJNIZBHJAGI-OAQYLSRUSA-N 1 3 342.531 3.339 20 30 EGEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190764993 455379290 /nfs/dbraw/zinc/37/92/90/455379290.db2.gz ABZYJEKJMXVTMX-QGZVFWFLSA-N 1 3 336.483 3.418 20 30 EGEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190764993 455379294 /nfs/dbraw/zinc/37/92/94/455379294.db2.gz ABZYJEKJMXVTMX-QGZVFWFLSA-N 1 3 336.483 3.418 20 30 EGEDHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)Nc1ccccc1 ZINC000161528654 455579042 /nfs/dbraw/zinc/57/90/42/455579042.db2.gz ZQAYUFULNDSPRX-OAHLLOKOSA-N 1 3 328.485 3.387 20 30 EGEDHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000284309193 455667186 /nfs/dbraw/zinc/66/71/86/455667186.db2.gz JIGRDZQGWWMVOE-ZWKOTPCHSA-N 1 3 327.472 3.332 20 30 EGEDHO C=CC[C@@H]1N(CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000444783999 457977782 /nfs/dbraw/zinc/97/77/82/457977782.db2.gz MLLGIRPCDVATPM-SFHVURJKSA-N 1 3 335.536 3.042 20 30 EGEDHO CC1(C)CC(NC(=O)C(C#N)CCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000596705784 459735843 /nfs/dbraw/zinc/73/58/43/459735843.db2.gz CLPWWSSJGZAIDE-MRXNPFEDSA-N 1 3 327.472 3.184 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000598721184 460006629 /nfs/dbraw/zinc/00/66/29/460006629.db2.gz SWQQYZQSJWGNNM-FQEVSTJZSA-N 1 3 343.515 3.453 20 30 EGEDHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807467 460468229 /nfs/dbraw/zinc/46/82/29/460468229.db2.gz MFJULNQREALRON-VGSWGCGISA-N 1 3 349.478 3.333 20 30 EGEDHO CC[C@H](C)N(C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160710612 1294274859 /nfs/dbraw/zinc/27/48/59/1294274859.db2.gz VMVKIJDOROLORZ-NSHDSACASA-N 1 3 332.370 3.042 20 30 EGEDHO C[C@@]1(CNC[C@H](O)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311840347 1297110577 /nfs/dbraw/zinc/11/05/77/1297110577.db2.gz UFHUUMGMUXKREG-VXKWHMMOSA-N 1 3 349.478 3.093 20 30 EGEDHO C[C@@]1(CNC[C@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840347 1297110590 /nfs/dbraw/zinc/11/05/90/1297110590.db2.gz UFHUUMGMUXKREG-VXKWHMMOSA-N 1 3 349.478 3.093 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961374988 1319530907 /nfs/dbraw/zinc/53/09/07/1319530907.db2.gz NITRAVYPXFDCOL-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961374988 1319530913 /nfs/dbraw/zinc/53/09/13/1319530913.db2.gz NITRAVYPXFDCOL-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079831 1319628681 /nfs/dbraw/zinc/62/86/81/1319628681.db2.gz WXFYCCWJNOLKPP-VGOFRKELSA-N 1 3 349.478 3.407 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763089 1319909412 /nfs/dbraw/zinc/90/94/12/1319909412.db2.gz CHPQSGMRQCZDPQ-SFHVURJKSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763089 1319909419 /nfs/dbraw/zinc/90/94/19/1319909419.db2.gz CHPQSGMRQCZDPQ-SFHVURJKSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627618 1324478541 /nfs/dbraw/zinc/47/85/41/1324478541.db2.gz ADHQUIRQZWDUPZ-ZWKOTPCHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627618 1324478545 /nfs/dbraw/zinc/47/85/45/1324478545.db2.gz ADHQUIRQZWDUPZ-ZWKOTPCHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948373330 1333499553 /nfs/dbraw/zinc/49/95/53/1333499553.db2.gz MNQXKSPHKUYIKN-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948373330 1333499555 /nfs/dbraw/zinc/49/95/55/1333499555.db2.gz MNQXKSPHKUYIKN-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829814 1333702052 /nfs/dbraw/zinc/70/20/52/1333702052.db2.gz WXTLRDBEPUEIMX-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829814 1333702054 /nfs/dbraw/zinc/70/20/54/1333702054.db2.gz WXTLRDBEPUEIMX-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC000970719496 1336335740 /nfs/dbraw/zinc/33/57/40/1336335740.db2.gz RZWIPMZNMJSLTP-HKUYNNGSSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862257 1338751307 /nfs/dbraw/zinc/75/13/07/1338751307.db2.gz UYPQNFACVAENFX-OALUTQOASA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210587 1342320305 /nfs/dbraw/zinc/32/03/05/1342320305.db2.gz IAUYMLUHOWRCIE-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210587 1342320307 /nfs/dbraw/zinc/32/03/07/1342320307.db2.gz IAUYMLUHOWRCIE-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360363 1342432151 /nfs/dbraw/zinc/43/21/51/1342432151.db2.gz HWPIFGSKZQAXLI-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360363 1342432155 /nfs/dbraw/zinc/43/21/55/1342432155.db2.gz HWPIFGSKZQAXLI-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035259955 1343086799 /nfs/dbraw/zinc/08/67/99/1343086799.db2.gz KDBVDKGKLRIYQV-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035259955 1343086804 /nfs/dbraw/zinc/08/68/04/1343086804.db2.gz KDBVDKGKLRIYQV-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001050686789 1348326991 /nfs/dbraw/zinc/32/69/91/1348326991.db2.gz AXLPDPFIIRGTRI-LJQANCHMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942354 1359264264 /nfs/dbraw/zinc/26/42/64/1359264264.db2.gz OULLLHVOHYWGJO-RBUKOAKNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386458 1360387460 /nfs/dbraw/zinc/38/74/60/1360387460.db2.gz PPSJUGNBGAHCSH-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386458 1360387465 /nfs/dbraw/zinc/38/74/65/1360387465.db2.gz PPSJUGNBGAHCSH-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400597 1360400109 /nfs/dbraw/zinc/40/01/09/1360400109.db2.gz JWRGFERJBCWFFY-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400597 1360400110 /nfs/dbraw/zinc/40/01/10/1360400110.db2.gz JWRGFERJBCWFFY-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560701 1360508388 /nfs/dbraw/zinc/50/83/88/1360508388.db2.gz FFUXFGKMIXOVPI-IBGZPJMESA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560701 1360508391 /nfs/dbraw/zinc/50/83/91/1360508391.db2.gz FFUXFGKMIXOVPI-IBGZPJMESA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089647764 1360560795 /nfs/dbraw/zinc/56/07/95/1360560795.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089647764 1360560799 /nfs/dbraw/zinc/56/07/99/1360560799.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089647764 1360560800 /nfs/dbraw/zinc/56/08/00/1360560800.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647764 1360560802 /nfs/dbraw/zinc/56/08/02/1360560802.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662287 1360572474 /nfs/dbraw/zinc/57/24/74/1360572474.db2.gz AXVLVYNOPDLHFW-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662287 1360572478 /nfs/dbraw/zinc/57/24/78/1360572478.db2.gz AXVLVYNOPDLHFW-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116555 1363632744 /nfs/dbraw/zinc/63/27/44/1363632744.db2.gz UHLYWYOLFXIVNQ-ROUUACIJSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116555 1363632747 /nfs/dbraw/zinc/63/27/47/1363632747.db2.gz UHLYWYOLFXIVNQ-ROUUACIJSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963304 1364792598 /nfs/dbraw/zinc/79/25/98/1364792598.db2.gz UQVRWCCCKIOWAV-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963304 1364792601 /nfs/dbraw/zinc/79/26/01/1364792601.db2.gz UQVRWCCCKIOWAV-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001102021571 1364813862 /nfs/dbraw/zinc/81/38/62/1364813862.db2.gz SKYUVDMBVZUKHK-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001102021571 1364813863 /nfs/dbraw/zinc/81/38/63/1364813863.db2.gz SKYUVDMBVZUKHK-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001105537560 1366517268 /nfs/dbraw/zinc/51/72/68/1366517268.db2.gz TZNJRWFCPQUTAB-RTBURBONSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105560848 1366530595 /nfs/dbraw/zinc/53/05/95/1366530595.db2.gz DIJLYHPTLJTDBH-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568797 1366536798 /nfs/dbraw/zinc/53/67/98/1366536798.db2.gz ZHEMIGIRQZIDET-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454683 1366969056 /nfs/dbraw/zinc/96/90/56/1366969056.db2.gz JTJQHJAPMBAVGA-YLJYHZDGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454683 1366969057 /nfs/dbraw/zinc/96/90/57/1366969057.db2.gz JTJQHJAPMBAVGA-YLJYHZDGSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386961 1367771335 /nfs/dbraw/zinc/77/13/35/1367771335.db2.gz TXAZHOLRZZTENZ-SFHVURJKSA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386961 1367771337 /nfs/dbraw/zinc/77/13/37/1367771337.db2.gz TXAZHOLRZZTENZ-SFHVURJKSA-N 1 3 337.552 3.221 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196060537 1368542168 /nfs/dbraw/zinc/54/21/68/1368542168.db2.gz YZBZGLOYNTVGNK-LJQANCHMSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196060537 1368542170 /nfs/dbraw/zinc/54/21/70/1368542170.db2.gz YZBZGLOYNTVGNK-LJQANCHMSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112382367 1368810347 /nfs/dbraw/zinc/81/03/47/1368810347.db2.gz UJRLIVOBMMVSDR-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203506740 1370148307 /nfs/dbraw/zinc/14/83/07/1370148307.db2.gz LEVUSOGRSMYZQN-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203649499 1370200615 /nfs/dbraw/zinc/20/06/15/1370200615.db2.gz BKYDFXZSNDEDGX-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659793 1370206060 /nfs/dbraw/zinc/20/60/60/1370206060.db2.gz KZRHKQBJGARWCL-QZTJIDSGSA-N 1 3 344.503 3.024 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791692 1370265974 /nfs/dbraw/zinc/26/59/74/1370265974.db2.gz KDQHBWQXXWKLNB-ROUUACIJSA-N 1 3 337.552 3.314 20 30 EGEDHO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206002900 1370934760 /nfs/dbraw/zinc/93/47/60/1370934760.db2.gz CJWMWDCLRDNBRX-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954228 1371243377 /nfs/dbraw/zinc/24/33/77/1371243377.db2.gz AHLBWABTZXQSPV-UHFFFAOYSA-N 1 3 325.541 3.125 20 30 EGEDHO CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2CCCC)CCCCC1 ZINC001119989443 1371444606 /nfs/dbraw/zinc/44/46/06/1371444606.db2.gz MTAHJJQYTMBCJJ-LJQANCHMSA-N 1 3 347.547 3.073 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208049071 1371580323 /nfs/dbraw/zinc/58/03/23/1371580323.db2.gz MDVIQAXBWMZMME-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209160743 1372018577 /nfs/dbraw/zinc/01/85/77/1372018577.db2.gz BLBOMEOKUFFHCL-RTWAWAEBSA-N 1 3 332.532 3.413 20 30 EGEDHO C=CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209160743 1372018579 /nfs/dbraw/zinc/01/85/79/1372018579.db2.gz BLBOMEOKUFFHCL-RTWAWAEBSA-N 1 3 332.532 3.413 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121772865 1372076263 /nfs/dbraw/zinc/07/62/63/1372076263.db2.gz JCAPATYYZUIGIJ-GGQJKKPXSA-N 1 3 347.547 3.092 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552952 1373780741 /nfs/dbraw/zinc/78/07/41/1373780741.db2.gz LLFYTMOUWIYQIU-IPMKNSEASA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552952 1373780745 /nfs/dbraw/zinc/78/07/45/1373780745.db2.gz LLFYTMOUWIYQIU-IPMKNSEASA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419497 1375366517 /nfs/dbraw/zinc/36/65/17/1375366517.db2.gz CPVKBBCCKFUKJN-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181933 1375827697 /nfs/dbraw/zinc/82/76/97/1375827697.db2.gz LHQFXAJADMEILK-MOPGFXCFSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc3cnccc3[nH]1)CC2 ZINC001232013363 1376381825 /nfs/dbraw/zinc/38/18/25/1376381825.db2.gz MJQDYLNXZQFOTC-HXUWFJFHSA-N 1 3 338.455 3.096 20 30 EGEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc3cnccc3[nH]1)CC2 ZINC001232013363 1376381828 /nfs/dbraw/zinc/38/18/28/1376381828.db2.gz MJQDYLNXZQFOTC-HXUWFJFHSA-N 1 3 338.455 3.096 20 30 EGEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323684 1376809898 /nfs/dbraw/zinc/80/98/98/1376809898.db2.gz SCTAPCCNEUEXSS-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323684 1376809903 /nfs/dbraw/zinc/80/99/03/1376809903.db2.gz SCTAPCCNEUEXSS-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691620 1377185692 /nfs/dbraw/zinc/18/56/92/1377185692.db2.gz XREIHGGXIWWWHI-ROUUACIJSA-N 1 3 325.541 3.338 20 30 EGEDHO CN(Cc1ccc(C#N)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140545860 1378082824 /nfs/dbraw/zinc/08/28/24/1378082824.db2.gz NHZBIXIRJXKSJO-UHFFFAOYSA-N 1 3 334.467 3.297 20 30 EGEDHO CN(Cc1ccc(C#N)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144163901 1378690123 /nfs/dbraw/zinc/69/01/23/1378690123.db2.gz ZLRLDYJTJPJNGA-UHFFFAOYSA-N 1 3 334.467 3.297 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001146614580 1378879355 /nfs/dbraw/zinc/87/93/55/1378879355.db2.gz YPJRQGPMEUINLV-ROUUACIJSA-N 1 3 349.563 3.031 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090397 1381125393 /nfs/dbraw/zinc/12/53/93/1381125393.db2.gz ZRQIYLFTIOHCPJ-IEBWSBKVSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090397 1381125398 /nfs/dbraw/zinc/12/53/98/1381125398.db2.gz ZRQIYLFTIOHCPJ-IEBWSBKVSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158645867 1381336231 /nfs/dbraw/zinc/33/62/31/1381336231.db2.gz ASWIZBICVZIKBM-VQTJNVASSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158645867 1381336238 /nfs/dbraw/zinc/33/62/38/1381336238.db2.gz ASWIZBICVZIKBM-VQTJNVASSA-N 1 3 349.563 3.386 20 30 EGEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391928 1382397394 /nfs/dbraw/zinc/39/73/94/1382397394.db2.gz ZGIOKYUJJYEKEO-HXUWFJFHSA-N 1 3 347.547 3.354 20 30 EGEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391928 1382397398 /nfs/dbraw/zinc/39/73/98/1382397398.db2.gz ZGIOKYUJJYEKEO-HXUWFJFHSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592608 1382449307 /nfs/dbraw/zinc/44/93/07/1382449307.db2.gz YRHAULLBQIXSQI-IBGZPJMESA-N 1 3 341.499 3.071 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232478 1383571164 /nfs/dbraw/zinc/57/11/64/1383571164.db2.gz DMJMBMRHFSMRGM-GOSISDBHSA-N 1 3 337.552 3.175 20 30 EGEDHO N=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc2ccccc2n1 ZINC001167969857 1383782400 /nfs/dbraw/zinc/78/24/00/1383782400.db2.gz GXILLFTUPFAHSX-AYHJJNSGSA-N 1 3 334.467 3.346 20 30 EGEDHO N=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2ccccc2n1 ZINC001167969857 1383782405 /nfs/dbraw/zinc/78/24/05/1383782405.db2.gz GXILLFTUPFAHSX-AYHJJNSGSA-N 1 3 334.467 3.346 20 30 EGEDHO C=CCOC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001173316386 1384957104 /nfs/dbraw/zinc/95/71/04/1384957104.db2.gz JDKOKRDWHGPMMI-UHFFFAOYSA-N 1 3 343.515 3.397 20 30 EGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262180 1385232500 /nfs/dbraw/zinc/23/25/00/1385232500.db2.gz CPZZEKCYBJOURK-VQIMIIECSA-N 1 3 341.515 3.040 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175574343 1385336614 /nfs/dbraw/zinc/33/66/14/1385336614.db2.gz VIJXSABLXZFRKW-RBUKOAKNSA-N 1 3 337.552 3.480 20 30 EGEDHO CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351027 1385559637 /nfs/dbraw/zinc/55/96/37/1385559637.db2.gz OWWWKHKKKHLCGO-MRXNPFEDSA-N 1 3 336.524 3.496 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1CCC ZINC001177335761 1385918122 /nfs/dbraw/zinc/91/81/22/1385918122.db2.gz JVZGWWLOTCEVGM-IBGZPJMESA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177339586 1385919977 /nfs/dbraw/zinc/91/99/77/1385919977.db2.gz LHKVLJPKWANONI-FQEVSTJZSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339354 1385919988 /nfs/dbraw/zinc/91/99/88/1385919988.db2.gz CYEUNZFVDKTYMO-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)N(C)C ZINC001177348225 1385923076 /nfs/dbraw/zinc/92/30/76/1385923076.db2.gz DVHPMPJXNHPFPJ-LJQANCHMSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693234 1386279479 /nfs/dbraw/zinc/27/94/79/1386279479.db2.gz LZRUSKCNJPKUCI-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001692098422 1405771376 /nfs/dbraw/zinc/77/13/76/1405771376.db2.gz XHOZYHQCFHSLTC-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001692098422 1405771379 /nfs/dbraw/zinc/77/13/79/1405771379.db2.gz XHOZYHQCFHSLTC-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784217 1440210430 /nfs/dbraw/zinc/21/04/30/1440210430.db2.gz XNZAMIUMPDKIOZ-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784217 1440210431 /nfs/dbraw/zinc/21/04/31/1440210431.db2.gz XNZAMIUMPDKIOZ-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001753557389 1440436315 /nfs/dbraw/zinc/43/63/15/1440436315.db2.gz KLPNIPPGKKDJEP-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001755763314 1440915405 /nfs/dbraw/zinc/91/54/05/1440915405.db2.gz DSSNWBMSMOZEJU-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001755763315 1440915450 /nfs/dbraw/zinc/91/54/50/1440915450.db2.gz DSSNWBMSMOZEJU-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001755833248 1440929291 /nfs/dbraw/zinc/92/92/91/1440929291.db2.gz XXZCODHWJBRZRO-MRXNPFEDSA-N 1 3 325.541 3.051 20 30 EGEDHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000311203361 154147817 /nfs/dbraw/zinc/14/78/17/154147817.db2.gz LLKCBSOBWOHNQW-IBGZPJMESA-N 1 3 335.451 3.179 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462829 163008043 /nfs/dbraw/zinc/00/80/43/163008043.db2.gz YOSKIMXRQHOLSK-JTSKRJEESA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462829 163008044 /nfs/dbraw/zinc/00/80/44/163008044.db2.gz YOSKIMXRQHOLSK-JTSKRJEESA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271974204 267182593 /nfs/dbraw/zinc/18/25/93/267182593.db2.gz VFXIFHMFAWBOOJ-OAGGEKHMSA-N 1 3 333.451 3.237 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 ZINC000353248505 278747425 /nfs/dbraw/zinc/74/74/25/278747425.db2.gz AXWTYVAVZUYUTJ-QINHECLXSA-N 1 3 327.472 3.025 20 30 EGEDHO C=CCSCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177577740 454879651 /nfs/dbraw/zinc/87/96/51/454879651.db2.gz RYMSERYQPHEMLO-UHFFFAOYSA-N 1 3 333.545 3.226 20 30 EGEDHO C=CCSCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177577740 454879655 /nfs/dbraw/zinc/87/96/55/454879655.db2.gz RYMSERYQPHEMLO-UHFFFAOYSA-N 1 3 333.545 3.226 20 30 EGEDHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271972909 455808852 /nfs/dbraw/zinc/80/88/52/455808852.db2.gz XFMWRFNDKIJHJH-OAHLLOKOSA-N 1 3 341.430 3.489 20 30 EGEDHO CC[N@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289385023 456123177 /nfs/dbraw/zinc/12/31/77/456123177.db2.gz DACXXWZRLLECPL-UHFFFAOYSA-N 1 3 339.487 3.237 20 30 EGEDHO CC[N@@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289385023 456123183 /nfs/dbraw/zinc/12/31/83/456123183.db2.gz DACXXWZRLLECPL-UHFFFAOYSA-N 1 3 339.487 3.237 20 30 EGEDHO Cn1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1C#N ZINC000289777222 456142210 /nfs/dbraw/zinc/14/22/10/456142210.db2.gz KFSVDUYCSUTWJT-LJQANCHMSA-N 1 3 336.483 3.289 20 30 EGEDHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000343544213 456697243 /nfs/dbraw/zinc/69/72/43/456697243.db2.gz XMOPJXKGGYVVNA-HDICACEKSA-N 1 3 341.499 3.074 20 30 EGEDHO CC[NH+](CC)CCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360885921 457408807 /nfs/dbraw/zinc/40/88/07/457408807.db2.gz SZZOQMVCEPEKJR-HXUWFJFHSA-N 1 3 329.488 3.274 20 30 EGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226858 457783833 /nfs/dbraw/zinc/78/38/33/457783833.db2.gz IMZBKPJOFFCGHQ-WSTZPKSXSA-N 1 3 341.499 3.243 20 30 EGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226858 457783841 /nfs/dbraw/zinc/78/38/41/457783841.db2.gz IMZBKPJOFFCGHQ-WSTZPKSXSA-N 1 3 341.499 3.243 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358141405 457811416 /nfs/dbraw/zinc/81/14/16/457811416.db2.gz OWRJGFPPNABCMO-KAXARAQCSA-N 1 3 339.483 3.465 20 30 EGEDHO C=CCC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411471625 457896235 /nfs/dbraw/zinc/89/62/35/457896235.db2.gz LIPBPUYFATYTSE-HXUWFJFHSA-N 1 3 343.515 3.273 20 30 EGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422997636 458429542 /nfs/dbraw/zinc/42/95/42/458429542.db2.gz VCJMTHAEOPPJJN-GUDVDZBRSA-N 1 3 329.513 3.302 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000171716720 526447429 /nfs/dbraw/zinc/44/74/29/526447429.db2.gz RNGDZHKNIOTTCD-UHFFFAOYSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000171716720 526447432 /nfs/dbraw/zinc/44/74/32/526447432.db2.gz RNGDZHKNIOTTCD-UHFFFAOYSA-N 1 3 343.515 3.297 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000246425263 1296352140 /nfs/dbraw/zinc/35/21/40/1296352140.db2.gz NLWPISZNHDVSAF-NXHRZFHOSA-N 1 3 345.487 3.196 20 30 EGEDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513737 1298239635 /nfs/dbraw/zinc/23/96/35/1298239635.db2.gz PEQAOCLLSYRKAQ-YJBOKZPZSA-N 1 3 325.481 3.477 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957602852 1317491963 /nfs/dbraw/zinc/49/19/63/1317491963.db2.gz IMKLZSOVORTPIG-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811303 1323713151 /nfs/dbraw/zinc/71/31/51/1323713151.db2.gz PJCGHLQFMPAERD-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811303 1323713160 /nfs/dbraw/zinc/71/31/60/1323713160.db2.gz PJCGHLQFMPAERD-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257659 1324064944 /nfs/dbraw/zinc/06/49/44/1324064944.db2.gz FQUDRQNPUGLJBH-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257659 1324064946 /nfs/dbraw/zinc/06/49/46/1324064946.db2.gz FQUDRQNPUGLJBH-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628647 1324478302 /nfs/dbraw/zinc/47/83/02/1324478302.db2.gz SLKPBGTZMLPBEW-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628647 1324478305 /nfs/dbraw/zinc/47/83/05/1324478305.db2.gz SLKPBGTZMLPBEW-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034481287 1342538509 /nfs/dbraw/zinc/53/85/09/1342538509.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034481287 1342538512 /nfs/dbraw/zinc/53/85/12/1342538512.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034481287 1342538514 /nfs/dbraw/zinc/53/85/14/1342538514.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481287 1342538517 /nfs/dbraw/zinc/53/85/17/1342538517.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001034796512 1342762787 /nfs/dbraw/zinc/76/27/87/1342762787.db2.gz BFZPJNWVUUHTTD-IYARVYRRSA-N 1 3 349.906 3.131 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040431413 1345494900 /nfs/dbraw/zinc/49/49/00/1345494900.db2.gz IBBSFSJCDVEOLY-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040431413 1345494902 /nfs/dbraw/zinc/49/49/02/1345494902.db2.gz IBBSFSJCDVEOLY-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174711 1349175818 /nfs/dbraw/zinc/17/58/18/1349175818.db2.gz YNDKTWAUOBKZCP-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174711 1349175821 /nfs/dbraw/zinc/17/58/21/1349175821.db2.gz YNDKTWAUOBKZCP-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209239 1349210259 /nfs/dbraw/zinc/21/02/59/1349210259.db2.gz MAXOZVKFFFMAOI-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209239 1349210262 /nfs/dbraw/zinc/21/02/62/1349210262.db2.gz MAXOZVKFFFMAOI-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245318 1349238955 /nfs/dbraw/zinc/23/89/55/1349238955.db2.gz RMHZTXOOPUTICY-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245318 1349238958 /nfs/dbraw/zinc/23/89/58/1349238958.db2.gz RMHZTXOOPUTICY-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458303 1356390314 /nfs/dbraw/zinc/39/03/14/1356390314.db2.gz BRSOPSKULIYMAP-ICSRJNTNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458303 1356390315 /nfs/dbraw/zinc/39/03/15/1356390315.db2.gz BRSOPSKULIYMAP-ICSRJNTNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699199 1359598885 /nfs/dbraw/zinc/59/88/85/1359598885.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699199 1359598891 /nfs/dbraw/zinc/59/88/91/1359598891.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699199 1359598897 /nfs/dbraw/zinc/59/88/97/1359598897.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699199 1359598901 /nfs/dbraw/zinc/59/89/01/1359598901.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509552 1360481024 /nfs/dbraw/zinc/48/10/24/1360481024.db2.gz JEFWDHYGRHIXRS-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509552 1360481026 /nfs/dbraw/zinc/48/10/26/1360481026.db2.gz JEFWDHYGRHIXRS-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565743 1360512461 /nfs/dbraw/zinc/51/24/61/1360512461.db2.gz YPBFEAVEXYTPQQ-SFHVURJKSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565743 1360512464 /nfs/dbraw/zinc/51/24/64/1360512464.db2.gz YPBFEAVEXYTPQQ-SFHVURJKSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638902 1360552357 /nfs/dbraw/zinc/55/23/57/1360552357.db2.gz IYURUBUGJOBEDE-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638902 1360552359 /nfs/dbraw/zinc/55/23/59/1360552359.db2.gz IYURUBUGJOBEDE-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089645942 1360558033 /nfs/dbraw/zinc/55/80/33/1360558033.db2.gz DSUZALCTYQFUSW-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089645942 1360558036 /nfs/dbraw/zinc/55/80/36/1360558036.db2.gz DSUZALCTYQFUSW-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089647761 1360560829 /nfs/dbraw/zinc/56/08/29/1360560829.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089647761 1360560833 /nfs/dbraw/zinc/56/08/33/1360560833.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089647761 1360560835 /nfs/dbraw/zinc/56/08/35/1360560835.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647761 1360560838 /nfs/dbraw/zinc/56/08/38/1360560838.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089647763 1360561117 /nfs/dbraw/zinc/56/11/17/1360561117.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089647763 1360561120 /nfs/dbraw/zinc/56/11/20/1360561120.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089647763 1360561122 /nfs/dbraw/zinc/56/11/22/1360561122.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647763 1360561126 /nfs/dbraw/zinc/56/11/26/1360561126.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001095533887 1362163770 /nfs/dbraw/zinc/16/37/70/1362163770.db2.gz RSRYNVWUNYVJQK-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001095533887 1362163773 /nfs/dbraw/zinc/16/37/73/1362163773.db2.gz RSRYNVWUNYVJQK-FUMNGEBKSA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099154046 1363660316 /nfs/dbraw/zinc/66/03/16/1363660316.db2.gz TYUJHBYRPDRELQ-OALUTQOASA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001101574798 1364629052 /nfs/dbraw/zinc/62/90/52/1364629052.db2.gz DLJKJRNUDVDFLE-GOSISDBHSA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578919 1366542426 /nfs/dbraw/zinc/54/24/26/1366542426.db2.gz IANGBAMYEDOCJB-LJQANCHMSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001109399230 1367104135 /nfs/dbraw/zinc/10/41/35/1367104135.db2.gz CMLHJRJBFXLXMV-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001109399230 1367104138 /nfs/dbraw/zinc/10/41/38/1367104138.db2.gz CMLHJRJBFXLXMV-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110143288 1367524371 /nfs/dbraw/zinc/52/43/71/1367524371.db2.gz ZKHQYUJAPAHVFR-AABGKKOBSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110143288 1367524377 /nfs/dbraw/zinc/52/43/77/1367524377.db2.gz ZKHQYUJAPAHVFR-AABGKKOBSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001110886241 1368059854 /nfs/dbraw/zinc/05/98/54/1368059854.db2.gz SLJXOALWXRCRSL-QRVBRYPASA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001110886241 1368059859 /nfs/dbraw/zinc/05/98/59/1368059859.db2.gz SLJXOALWXRCRSL-QRVBRYPASA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001198230180 1368984619 /nfs/dbraw/zinc/98/46/19/1368984619.db2.gz XPJHBHOUORRUAL-GOSISDBHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001198230180 1368984621 /nfs/dbraw/zinc/98/46/21/1368984621.db2.gz XPJHBHOUORRUAL-GOSISDBHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001115760315 1370744270 /nfs/dbraw/zinc/74/42/70/1370744270.db2.gz LVHKCJRPSZSIJD-GOSISDBHSA-N 1 3 335.536 3.236 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431140 1371574045 /nfs/dbraw/zinc/57/40/45/1371574045.db2.gz PZMGSINMXICXEJ-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431140 1371574048 /nfs/dbraw/zinc/57/40/48/1371574048.db2.gz PZMGSINMXICXEJ-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933339 1371951578 /nfs/dbraw/zinc/95/15/78/1371951578.db2.gz DOVBNVCJLXGFJO-PKOBYXMFSA-N 1 3 342.508 3.173 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933339 1371951581 /nfs/dbraw/zinc/95/15/81/1371951581.db2.gz DOVBNVCJLXGFJO-PKOBYXMFSA-N 1 3 342.508 3.173 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187858119 1388178923 /nfs/dbraw/zinc/17/89/23/1388178923.db2.gz XMZKELYLQXSDKW-SLFFLAALSA-N 1 3 349.563 3.362 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187858119 1388178926 /nfs/dbraw/zinc/17/89/26/1388178926.db2.gz XMZKELYLQXSDKW-SLFFLAALSA-N 1 3 349.563 3.362 20 30 EGEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1sc2ccccc2c1C#N ZINC001218649758 1373640601 /nfs/dbraw/zinc/64/06/01/1373640601.db2.gz IUUUNHQUVRJCTH-HNNXBMFYSA-N 1 3 344.484 3.207 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544157 1373778805 /nfs/dbraw/zinc/77/88/05/1373778805.db2.gz PARVGDUCDGADAZ-VAMGGRTRSA-N 1 3 349.563 3.362 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544157 1373778808 /nfs/dbraw/zinc/77/88/08/1373778808.db2.gz PARVGDUCDGADAZ-VAMGGRTRSA-N 1 3 349.563 3.362 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001223164313 1375033407 /nfs/dbraw/zinc/03/34/07/1375033407.db2.gz JWVCDFMOCBQJRC-FQEVSTJZSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800220 1375338778 /nfs/dbraw/zinc/33/87/78/1375338778.db2.gz ICQBCEDPHXAIPZ-GUDVDZBRSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476618 1377110747 /nfs/dbraw/zinc/11/07/47/1377110747.db2.gz LJGKZLNBBUBUDJ-ZWKOTPCHSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146581025 1378870713 /nfs/dbraw/zinc/87/07/13/1378870713.db2.gz BPAAYAFZSSUQHR-SJORKVTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146581020 1378870900 /nfs/dbraw/zinc/87/09/00/1378870900.db2.gz BPAAYAFZSSUQHR-IRXDYDNUSA-N 1 3 331.504 3.201 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824000 1380137412 /nfs/dbraw/zinc/13/74/12/1380137412.db2.gz HEBBVTCXCLECDS-SJLPKXTDSA-N 1 3 325.541 3.124 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824000 1380137417 /nfs/dbraw/zinc/13/74/17/1380137417.db2.gz HEBBVTCXCLECDS-SJLPKXTDSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001158605323 1381316882 /nfs/dbraw/zinc/31/68/82/1381316882.db2.gz VIXZNKNQPPZJKZ-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001158605323 1381316894 /nfs/dbraw/zinc/31/68/94/1381316894.db2.gz VIXZNKNQPPZJKZ-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161238848 1382351230 /nfs/dbraw/zinc/35/12/30/1382351230.db2.gz AQACQRASQNHKHF-IBGZPJMESA-N 1 3 337.552 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161238848 1382351232 /nfs/dbraw/zinc/35/12/32/1382351232.db2.gz AQACQRASQNHKHF-IBGZPJMESA-N 1 3 337.552 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161240550 1382351859 /nfs/dbraw/zinc/35/18/59/1382351859.db2.gz WTCQTWGUXPRIJZ-IBGZPJMESA-N 1 3 335.536 3.211 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161240550 1382351864 /nfs/dbraw/zinc/35/18/64/1382351864.db2.gz WTCQTWGUXPRIJZ-IBGZPJMESA-N 1 3 335.536 3.211 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240972 1383573242 /nfs/dbraw/zinc/57/32/42/1383573242.db2.gz XVNGNXZNIKPHRZ-KRWDZBQOSA-N 1 3 337.552 3.195 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385635 1383619140 /nfs/dbraw/zinc/61/91/40/1383619140.db2.gz LQDYHXCUKUQNQO-RBUKOAKNSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335413 1383876030 /nfs/dbraw/zinc/87/60/30/1383876030.db2.gz IACISLCKOLQXKL-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCCCC)CC1 ZINC001176739813 1385677959 /nfs/dbraw/zinc/67/79/59/1385677959.db2.gz ZVTURYLVEZOERQ-LJQANCHMSA-N 1 3 349.563 3.177 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499624 1386499688 /nfs/dbraw/zinc/49/96/88/1386499688.db2.gz YNHNDUMFOXWOAE-ZWKOTPCHSA-N 1 3 325.541 3.194 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754902 1387050640 /nfs/dbraw/zinc/05/06/40/1387050640.db2.gz HUDZNYHAQDPNGV-SLYNCCJLSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182807595 1387228151 /nfs/dbraw/zinc/22/81/51/1387228151.db2.gz VFILVSRNYOGYED-SFHLNBCPSA-N 1 3 349.563 3.290 20 30 EGEDHO C[NH+]1CCC(CCNCc2cc(C#N)ccc2Br)CC1 ZINC001339870034 1390179139 /nfs/dbraw/zinc/17/91/39/1390179139.db2.gz HYZSQRCNDBJLTR-UHFFFAOYSA-N 1 3 336.277 3.142 20 30 EGEDHO C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001753584603 1440440992 /nfs/dbraw/zinc/44/09/92/1440440992.db2.gz BJJATQNXKPNBEC-FHWLQOOXSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001755079315 1440750293 /nfs/dbraw/zinc/75/02/93/1440750293.db2.gz HZZQORPQJBCRGX-NRFANRHFSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001755079315 1440750294 /nfs/dbraw/zinc/75/02/94/1440750294.db2.gz HZZQORPQJBCRGX-NRFANRHFSA-N 1 3 349.563 3.245 20 30 EGEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000329968976 268088347 /nfs/dbraw/zinc/08/83/47/268088347.db2.gz XADDPOFYKKFDAB-QZTJIDSGSA-N 1 3 336.439 3.214 20 30 EGEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329968976 268088349 /nfs/dbraw/zinc/08/83/49/268088349.db2.gz XADDPOFYKKFDAB-QZTJIDSGSA-N 1 3 336.439 3.214 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000093660105 454727230 /nfs/dbraw/zinc/72/72/30/454727230.db2.gz WKRSMPRZLQAXAH-LJQANCHMSA-N 1 3 328.504 3.343 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000093660105 454727233 /nfs/dbraw/zinc/72/72/33/454727233.db2.gz WKRSMPRZLQAXAH-LJQANCHMSA-N 1 3 328.504 3.343 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248256 455471892 /nfs/dbraw/zinc/47/18/92/455471892.db2.gz YOSKIMXRQHOLSK-VGOFRKELSA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248256 455471894 /nfs/dbraw/zinc/47/18/94/455471894.db2.gz YOSKIMXRQHOLSK-VGOFRKELSA-N 1 3 349.478 3.366 20 30 EGEDHO Cc1ccc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)cc1C ZINC000179738239 455071713 /nfs/dbraw/zinc/07/17/13/455071713.db2.gz CYQPDVQKEPUZRD-UHFFFAOYSA-N 1 3 337.471 3.342 20 30 EGEDHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286003581 455958715 /nfs/dbraw/zinc/95/87/15/455958715.db2.gz IUADDIDSYIGMOT-LJQANCHMSA-N 1 3 340.515 3.237 20 30 EGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(c3ccncc3)CC1)CC2 ZINC000353263804 456597123 /nfs/dbraw/zinc/59/71/23/456597123.db2.gz FYESMPCJQDYUNY-NRFANRHFSA-N 1 3 332.451 3.447 20 30 EGEDHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868672 457393988 /nfs/dbraw/zinc/39/39/88/457393988.db2.gz AFMKSWHIABQMRX-LAUBAEHRSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868672 457393994 /nfs/dbraw/zinc/39/39/94/457393994.db2.gz AFMKSWHIABQMRX-LAUBAEHRSA-N 1 3 341.499 3.416 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000433180013 457770241 /nfs/dbraw/zinc/77/02/41/457770241.db2.gz ZIXCJBOLSWZFCF-LJQANCHMSA-N 1 3 327.472 3.141 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN(CCCCC(C)(C)C#N)CC2)CC1 ZINC000420986056 458406345 /nfs/dbraw/zinc/40/63/45/458406345.db2.gz XMQOEULTFIBYSH-UHFFFAOYSA-N 1 3 334.552 3.198 20 30 EGEDHO CCN1CCC([N@H+]2CCCN(CCCCC(C)(C)C#N)CC2)CC1 ZINC000420986056 458406348 /nfs/dbraw/zinc/40/63/48/458406348.db2.gz XMQOEULTFIBYSH-UHFFFAOYSA-N 1 3 334.552 3.198 20 30 EGEDHO Cc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000487889003 459535695 /nfs/dbraw/zinc/53/56/95/459535695.db2.gz OMJHZDQNOQGXBZ-QZTJIDSGSA-N 1 3 341.499 3.188 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000598721123 460005756 /nfs/dbraw/zinc/00/57/56/460005756.db2.gz SMEAPHDHOCYMRZ-HXUWFJFHSA-N 1 3 343.515 3.453 20 30 EGEDHO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000598728566 460008446 /nfs/dbraw/zinc/00/84/46/460008446.db2.gz VFHYUIBCHAQFRT-PMACEKPBSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000598728566 460008452 /nfs/dbraw/zinc/00/84/52/460008452.db2.gz VFHYUIBCHAQFRT-PMACEKPBSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728566 460008455 /nfs/dbraw/zinc/00/84/55/460008455.db2.gz VFHYUIBCHAQFRT-PMACEKPBSA-N 1 3 343.515 3.179 20 30 EGEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187704638 534081056 /nfs/dbraw/zinc/08/10/56/534081056.db2.gz NSWDYXTUHALXFT-KRWDZBQOSA-N 1 3 327.472 3.196 20 30 EGEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000876741310 1298951806 /nfs/dbraw/zinc/95/18/06/1298951806.db2.gz QKIRKIAQNXTMKC-GOSISDBHSA-N 1 3 349.906 3.149 20 30 EGEDHO C#CCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000781421612 1304825631 /nfs/dbraw/zinc/82/56/31/1304825631.db2.gz HTCSWFOZKOKMNB-VAMGGRTRSA-N 1 3 328.525 3.243 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819025131 1319618587 /nfs/dbraw/zinc/61/85/87/1319618587.db2.gz YWNUKSKIZZZBDU-QGZVFWFLSA-N 1 3 342.405 3.369 20 30 EGEDHO C[C@@H]1CCCCN1N=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000853381122 1325087736 /nfs/dbraw/zinc/08/77/36/1325087736.db2.gz XBVJZDUPZRTLGP-QGZVFWFLSA-N 1 3 328.504 3.425 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001033573727 1341879030 /nfs/dbraw/zinc/87/90/30/1341879030.db2.gz IZHJSUSUDDKRNU-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001033573727 1341879031 /nfs/dbraw/zinc/87/90/31/1341879031.db2.gz IZHJSUSUDDKRNU-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034437567 1342500346 /nfs/dbraw/zinc/50/03/46/1342500346.db2.gz HJOKZYBVJPSMLJ-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034437567 1342500352 /nfs/dbraw/zinc/50/03/52/1342500352.db2.gz HJOKZYBVJPSMLJ-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039301712 1345004217 /nfs/dbraw/zinc/00/42/17/1345004217.db2.gz NLOYLKLWJVSUPW-NXEWRWPSSA-N 1 3 347.547 3.327 20 30 EGEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125201 1345950385 /nfs/dbraw/zinc/95/03/85/1345950385.db2.gz PLVASJILLSJPDG-HKUYNNGSSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125201 1345950386 /nfs/dbraw/zinc/95/03/86/1345950386.db2.gz PLVASJILLSJPDG-HKUYNNGSSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958350 1346793478 /nfs/dbraw/zinc/79/34/78/1346793478.db2.gz QIFFWYRIOVUXEH-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958350 1346793480 /nfs/dbraw/zinc/79/34/80/1346793480.db2.gz QIFFWYRIOVUXEH-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047244503 1347269807 /nfs/dbraw/zinc/26/98/07/1347269807.db2.gz RRBIKKODOPOAKC-WOJBJXKFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913517 1348108971 /nfs/dbraw/zinc/10/89/71/1348108971.db2.gz ZFDIYKBPBLBMLS-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913517 1348108973 /nfs/dbraw/zinc/10/89/73/1348108973.db2.gz ZFDIYKBPBLBMLS-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052860012 1348705830 /nfs/dbraw/zinc/70/58/30/1348705830.db2.gz PIAADVLFIPATIH-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052860012 1348705833 /nfs/dbraw/zinc/70/58/33/1348705833.db2.gz PIAADVLFIPATIH-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245321 1349239185 /nfs/dbraw/zinc/23/91/85/1349239185.db2.gz RMHZTXOOPUTICY-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245321 1349239188 /nfs/dbraw/zinc/23/91/88/1349239188.db2.gz RMHZTXOOPUTICY-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781903 1358757036 /nfs/dbraw/zinc/75/70/36/1358757036.db2.gz HWILRNMKRXXKRD-WOJBJXKFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781903 1358757042 /nfs/dbraw/zinc/75/70/42/1358757042.db2.gz HWILRNMKRXXKRD-WOJBJXKFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638980 1360552521 /nfs/dbraw/zinc/55/25/21/1360552521.db2.gz KUZSVQCVKTXKGH-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638980 1360552524 /nfs/dbraw/zinc/55/25/24/1360552524.db2.gz KUZSVQCVKTXKGH-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089645940 1360558069 /nfs/dbraw/zinc/55/80/69/1360558069.db2.gz DSUZALCTYQFUSW-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001089645940 1360558073 /nfs/dbraw/zinc/55/80/73/1360558073.db2.gz DSUZALCTYQFUSW-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001089663591 1360573092 /nfs/dbraw/zinc/57/30/92/1360573092.db2.gz QDKTUKCPOAFBPR-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001089663591 1360573096 /nfs/dbraw/zinc/57/30/96/1360573096.db2.gz QDKTUKCPOAFBPR-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001089663590 1360573642 /nfs/dbraw/zinc/57/36/42/1360573642.db2.gz QDKTUKCPOAFBPR-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001089663590 1360573645 /nfs/dbraw/zinc/57/36/45/1360573645.db2.gz QDKTUKCPOAFBPR-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100427663 1364110018 /nfs/dbraw/zinc/11/00/18/1364110018.db2.gz AIDOKFVNFLTSLL-ABHNRTSZSA-N 1 3 325.541 3.027 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100732200 1364240016 /nfs/dbraw/zinc/24/00/16/1364240016.db2.gz XTTMTOKZJLJVMG-HDYDNRTBSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001100848442 1364289914 /nfs/dbraw/zinc/28/99/14/1364289914.db2.gz MXPIZSGCBGORQI-CTWPCTMYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001101025190 1364379734 /nfs/dbraw/zinc/37/97/34/1364379734.db2.gz ZHRFIPFYCOTAOS-PPDQVPDSSA-N 1 3 343.515 3.201 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001101575812 1364629847 /nfs/dbraw/zinc/62/98/47/1364629847.db2.gz HBJQAXUOVXTAHP-SFHVURJKSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987736 1365328397 /nfs/dbraw/zinc/32/83/97/1365328397.db2.gz OSEPOCUFWJDUHT-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987736 1365328398 /nfs/dbraw/zinc/32/83/98/1365328398.db2.gz OSEPOCUFWJDUHT-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185549682 1387745707 /nfs/dbraw/zinc/74/57/07/1387745707.db2.gz RHBIXAAUYZMJBJ-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741698 1387788017 /nfs/dbraw/zinc/78/80/17/1387788017.db2.gz OJCNMWWYNXQZPH-FXAWDEMLSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563716 1366533054 /nfs/dbraw/zinc/53/30/54/1366533054.db2.gz RCWARDSWZYJUCO-RBUKOAKNSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575170 1366540098 /nfs/dbraw/zinc/54/00/98/1366540098.db2.gz TTYISIDCNUMISE-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668148 1366769337 /nfs/dbraw/zinc/76/93/37/1366769337.db2.gz FEJSVCRMDOXOAT-RTBURBONSA-N 1 3 349.563 3.149 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717897 1368668744 /nfs/dbraw/zinc/66/87/44/1368668744.db2.gz FEHNOJHPFGZTME-UHFFFAOYSA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196717897 1368668749 /nfs/dbraw/zinc/66/87/49/1368668749.db2.gz FEHNOJHPFGZTME-UHFFFAOYSA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC001196717897 1368668753 /nfs/dbraw/zinc/66/87/53/1368668753.db2.gz FEHNOJHPFGZTME-UHFFFAOYSA-N 1 3 337.552 3.366 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001197332668 1368790093 /nfs/dbraw/zinc/79/00/93/1368790093.db2.gz YAVIKTAFDMXBRL-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001197332668 1368790095 /nfs/dbraw/zinc/79/00/95/1368790095.db2.gz YAVIKTAFDMXBRL-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001197331857 1368790618 /nfs/dbraw/zinc/79/06/18/1368790618.db2.gz PARICMAIFWRLMN-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001197331857 1368790621 /nfs/dbraw/zinc/79/06/21/1368790621.db2.gz PARICMAIFWRLMN-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531660 1368916956 /nfs/dbraw/zinc/91/69/56/1368916956.db2.gz JXJWRFMZXVPPSY-RXVVDRJESA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604625 1387983723 /nfs/dbraw/zinc/98/37/23/1387983723.db2.gz GBICNJKNNFXPJK-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604625 1387983727 /nfs/dbraw/zinc/98/37/27/1387983727.db2.gz GBICNJKNNFXPJK-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030214 1369960905 /nfs/dbraw/zinc/96/09/05/1369960905.db2.gz XJKAMEMIFBXNLE-ZWKOTPCHSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952366 1371242614 /nfs/dbraw/zinc/24/26/14/1371242614.db2.gz LWNPJJNLJQHGCD-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)[C@@H]1CC=C(CN2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001208179426 1371621538 /nfs/dbraw/zinc/62/15/38/1371621538.db2.gz YZITXBGGVFCTFB-OAQYLSRUSA-N 1 3 331.548 3.248 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC001121103540 1371854998 /nfs/dbraw/zinc/85/49/98/1371854998.db2.gz XQFJOEHDMXKQSD-RBUNFDSBSA-N 1 3 347.547 3.231 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246360 1371907363 /nfs/dbraw/zinc/90/73/63/1371907363.db2.gz MTAHVIQNUCRYST-MBEFBZSESA-N 1 3 349.563 3.314 20 30 EGEDHO F[C@H]1CNCC[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217794767 1373501350 /nfs/dbraw/zinc/50/13/50/1373501350.db2.gz NYUACXSYOSZXST-OALUTQOASA-N 1 3 332.464 3.440 20 30 EGEDHO C=CC[C@H](C=C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165058 1375400902 /nfs/dbraw/zinc/40/09/02/1375400902.db2.gz OYWHJTQMAABFNI-FQEVSTJZSA-N 1 3 345.531 3.381 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900425 1375489066 /nfs/dbraw/zinc/48/90/66/1375489066.db2.gz NGRBYZAITXVCPD-KZNAEPCWSA-N 1 3 335.536 3.233 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133186662 1375831655 /nfs/dbraw/zinc/83/16/55/1375831655.db2.gz YNCDJLCDIZNWGI-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772500 1376711798 /nfs/dbraw/zinc/71/17/98/1376711798.db2.gz FBORGRBHNIJZGS-SJORKVTESA-N 1 3 325.541 3.336 20 30 EGEDHO C#CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741874 /nfs/dbraw/zinc/74/18/74/1377741874.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 1 3 346.474 3.262 20 30 EGEDHO C#CCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741875 /nfs/dbraw/zinc/74/18/75/1377741875.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 1 3 346.474 3.262 20 30 EGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(CN2CCCC2)cn1 ZINC001163474001 1383059279 /nfs/dbraw/zinc/05/92/79/1383059279.db2.gz YZEGIIVLDVTEDT-UHFFFAOYSA-N 1 3 337.471 3.167 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385800 1383619130 /nfs/dbraw/zinc/61/91/30/1383619130.db2.gz UFEJOUUAUHONLT-GOSISDBHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256783 1385230496 /nfs/dbraw/zinc/23/04/96/1385230496.db2.gz OSDNVXGOWMJAJO-MOPGFXCFSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271400 1385236029 /nfs/dbraw/zinc/23/60/29/1385236029.db2.gz BBENBLFOUOSBAW-ROUUACIJSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177416272 1385949795 /nfs/dbraw/zinc/94/97/95/1385949795.db2.gz YKYCQNUQMFDBRW-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(CC)CC ZINC001177445976 1385958846 /nfs/dbraw/zinc/95/88/46/1385958846.db2.gz WKJDFOHPEXVHQH-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177455519 1385962366 /nfs/dbraw/zinc/96/23/66/1385962366.db2.gz AOULDMHHLOHDAV-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177455519 1385962369 /nfs/dbraw/zinc/96/23/69/1385962369.db2.gz AOULDMHHLOHDAV-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516324 1387181089 /nfs/dbraw/zinc/18/10/89/1387181089.db2.gz FYWBLDSGOJXODI-AJYBTWMASA-N 1 3 337.552 3.002 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182629306 1387199070 /nfs/dbraw/zinc/19/90/70/1387199070.db2.gz CATYOFHLKJZHFG-QKNQBKEWSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001752827340 1440224164 /nfs/dbraw/zinc/22/41/64/1440224164.db2.gz YNSKQPNMYKMQNT-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753793904 1440489318 /nfs/dbraw/zinc/48/93/18/1440489318.db2.gz IIZVLAKYXBKICS-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001754948955 1440714458 /nfs/dbraw/zinc/71/44/58/1440714458.db2.gz SNAPYVASGIWKEB-YLJYHZDGSA-N 1 3 343.515 3.402 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755143601 1440762376 /nfs/dbraw/zinc/76/23/76/1440762376.db2.gz LVGAXLVBSUEHRJ-GOSISDBHSA-N 1 3 348.535 3.448 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755143601 1440762377 /nfs/dbraw/zinc/76/23/77/1440762377.db2.gz LVGAXLVBSUEHRJ-GOSISDBHSA-N 1 3 348.535 3.448 20 30 EGEDHO C=CCN(CC=C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298594289 132392623 /nfs/dbraw/zinc/39/26/23/132392623.db2.gz YPTXJNIZBHJAGI-NRFANRHFSA-N 1 3 342.531 3.339 20 30 EGEDHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442678323 267058744 /nfs/dbraw/zinc/05/87/44/267058744.db2.gz DHYLTYCTXALFFI-KRWDZBQOSA-N 1 3 329.488 3.442 20 30 EGEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C#N)c1 ZINC000414532349 267147846 /nfs/dbraw/zinc/14/78/46/267147846.db2.gz UUHVPQSBLVUBEW-FGZHOGPDSA-N 1 3 349.478 3.185 20 30 EGEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C#N)c1 ZINC000414532349 267147848 /nfs/dbraw/zinc/14/78/48/267147848.db2.gz UUHVPQSBLVUBEW-FGZHOGPDSA-N 1 3 349.478 3.185 20 30 EGEDHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868674 274347678 /nfs/dbraw/zinc/34/76/78/274347678.db2.gz AFMKSWHIABQMRX-UTKZUKDTSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868674 274347679 /nfs/dbraw/zinc/34/76/79/274347679.db2.gz AFMKSWHIABQMRX-UTKZUKDTSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C[C@H](C)O1 ZINC000353248506 456585605 /nfs/dbraw/zinc/58/56/05/456585605.db2.gz AXWTYVAVZUYUTJ-YRNRMSPPSA-N 1 3 327.472 3.025 20 30 EGEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN2CCCO[C@@H](C)C2)c1 ZINC000277214255 456727810 /nfs/dbraw/zinc/72/78/10/456727810.db2.gz FPDWZRRCEJNPOL-INIZCTEOSA-N 1 3 332.492 3.038 20 30 EGEDHO N#C[C@H]1CCC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000361467416 457740518 /nfs/dbraw/zinc/74/05/18/457740518.db2.gz UUGMVOVHTJRSCA-OALUTQOASA-N 1 3 327.472 3.333 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424141713 458569554 /nfs/dbraw/zinc/56/95/54/458569554.db2.gz XFVZDULFCWJGQG-YJBOKZPZSA-N 1 3 328.460 3.021 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424141713 458569556 /nfs/dbraw/zinc/56/95/56/458569556.db2.gz XFVZDULFCWJGQG-YJBOKZPZSA-N 1 3 328.460 3.021 20 30 EGEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000424298157 458608314 /nfs/dbraw/zinc/60/83/14/458608314.db2.gz SBLGHMRKVZCZHX-LUYSREMJSA-N 1 3 326.484 3.078 20 30 EGEDHO C=CCN(CCOC)CC1(c2ccccc2)CC[NH+](CC=C)CC1 ZINC000442883064 459052070 /nfs/dbraw/zinc/05/20/70/459052070.db2.gz GJWMJHRRXDKZEA-UHFFFAOYSA-N 1 3 328.500 3.341 20 30 EGEDHO CN(c1ccccc1CN1CCC(CC#N)CC1)C1CC[NH+](C)CC1 ZINC000578092286 459144370 /nfs/dbraw/zinc/14/43/70/459144370.db2.gz GJOXVJGJVFDHCC-UHFFFAOYSA-N 1 3 340.515 3.343 20 30 EGEDHO N#Cc1csc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000594970327 459200906 /nfs/dbraw/zinc/20/09/06/459200906.db2.gz YHOASCAXBCKFKI-UHFFFAOYSA-N 1 3 326.469 3.017 20 30 EGEDHO C=CCCCCCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572614797 459581666 /nfs/dbraw/zinc/58/16/66/459581666.db2.gz JCVNADKPTIXJIV-UHFFFAOYSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000164518419 1294349129 /nfs/dbraw/zinc/34/91/29/1294349129.db2.gz LSJQHBFGMQKFHZ-AEFFLSMTSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000164518419 1294349134 /nfs/dbraw/zinc/34/91/34/1294349134.db2.gz LSJQHBFGMQKFHZ-AEFFLSMTSA-N 1 3 330.472 3.045 20 30 EGEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303723931 1296847159 /nfs/dbraw/zinc/84/71/59/1296847159.db2.gz ZJMVVDGEZDUPPJ-WCQYABFASA-N 1 3 343.302 3.443 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)cc1 ZINC000303885200 1296869648 /nfs/dbraw/zinc/86/96/48/1296869648.db2.gz JNQVKIYBZBKITO-HOTGVXAUSA-N 1 3 332.492 3.321 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882499 1336078862 /nfs/dbraw/zinc/07/88/62/1336078862.db2.gz PBYJVZMLDWJPPA-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC000968882499 1336078864 /nfs/dbraw/zinc/07/88/64/1336078864.db2.gz PBYJVZMLDWJPPA-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928537 1336093033 /nfs/dbraw/zinc/09/30/33/1336093033.db2.gz NJOGICKECYFMOH-UXHICEINSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928537 1336093034 /nfs/dbraw/zinc/09/30/34/1336093034.db2.gz NJOGICKECYFMOH-UXHICEINSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064672 1339493539 /nfs/dbraw/zinc/49/35/39/1339493539.db2.gz ILHLZKOYAQCNEE-BGYRXZFFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214152 1344930085 /nfs/dbraw/zinc/93/00/85/1344930085.db2.gz NSDSZBFKWNXXLA-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214152 1344930089 /nfs/dbraw/zinc/93/00/89/1344930089.db2.gz NSDSZBFKWNXXLA-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966432 1346800910 /nfs/dbraw/zinc/80/09/10/1346800910.db2.gz WMTQQDXUGHZJKI-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966432 1346800912 /nfs/dbraw/zinc/80/09/12/1346800912.db2.gz WMTQQDXUGHZJKI-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045972761 1346808509 /nfs/dbraw/zinc/80/85/09/1346808509.db2.gz ICAYNUSVEAUDIM-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045972761 1346808510 /nfs/dbraw/zinc/80/85/10/1346808510.db2.gz ICAYNUSVEAUDIM-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858665 1348705018 /nfs/dbraw/zinc/70/50/18/1348705018.db2.gz FKLIUIQBFOZNSG-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858665 1348705022 /nfs/dbraw/zinc/70/50/22/1348705022.db2.gz FKLIUIQBFOZNSG-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942353 1359264031 /nfs/dbraw/zinc/26/40/31/1359264031.db2.gz OULLLHVOHYWGJO-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001088430559 1359898356 /nfs/dbraw/zinc/89/83/56/1359898356.db2.gz SEKVEERMIKQBAK-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400602 1360400318 /nfs/dbraw/zinc/40/03/18/1360400318.db2.gz JWRGFERJBCWFFY-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400602 1360400319 /nfs/dbraw/zinc/40/03/19/1360400319.db2.gz JWRGFERJBCWFFY-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120737 1361533144 /nfs/dbraw/zinc/53/31/44/1361533144.db2.gz LLQAVYUDBWUHOW-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120737 1361533147 /nfs/dbraw/zinc/53/31/47/1361533147.db2.gz LLQAVYUDBWUHOW-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414222 1361791276 /nfs/dbraw/zinc/79/12/76/1361791276.db2.gz YAUCRGVNJYGFSI-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414222 1361791278 /nfs/dbraw/zinc/79/12/78/1361791278.db2.gz YAUCRGVNJYGFSI-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098822284 1363482642 /nfs/dbraw/zinc/48/26/42/1363482642.db2.gz YHZLJXLGUPULMG-ICSRJNTNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001099103003 1363622949 /nfs/dbraw/zinc/62/29/49/1363622949.db2.gz SZUYLOHZDPFRQC-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001099103003 1363622950 /nfs/dbraw/zinc/62/29/50/1363622950.db2.gz SZUYLOHZDPFRQC-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164088 1363664676 /nfs/dbraw/zinc/66/46/76/1363664676.db2.gz APFZONKRLJIQGA-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164088 1363664680 /nfs/dbraw/zinc/66/46/80/1363664680.db2.gz APFZONKRLJIQGA-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495657 1365596858 /nfs/dbraw/zinc/59/68/58/1365596858.db2.gz MPNGVJOTHZCMTL-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495657 1365596862 /nfs/dbraw/zinc/59/68/62/1365596862.db2.gz MPNGVJOTHZCMTL-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542140 1365623573 /nfs/dbraw/zinc/62/35/73/1365623573.db2.gz HUCWLLMSLRDAIM-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542140 1365623576 /nfs/dbraw/zinc/62/35/76/1365623576.db2.gz HUCWLLMSLRDAIM-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336428 1366659716 /nfs/dbraw/zinc/65/97/16/1366659716.db2.gz NAWUQQUHMPSDPU-QZTJIDSGSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107028934 1366860806 /nfs/dbraw/zinc/86/08/06/1366860806.db2.gz KHCZVTBIGMGNRS-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581497 1367055995 /nfs/dbraw/zinc/05/59/95/1367055995.db2.gz CKYZQVUCDHEIDM-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581497 1367056000 /nfs/dbraw/zinc/05/60/00/1367056000.db2.gz CKYZQVUCDHEIDM-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186421057 1387938852 /nfs/dbraw/zinc/93/88/52/1387938852.db2.gz XAMBDBREASQRBW-LJQANCHMSA-N 1 3 337.552 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009988 1368534518 /nfs/dbraw/zinc/53/45/18/1368534518.db2.gz IJGPCVTYKYZHOU-SFHVURJKSA-N 1 3 343.531 3.171 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009988 1368534520 /nfs/dbraw/zinc/53/45/20/1368534520.db2.gz IJGPCVTYKYZHOU-SFHVURJKSA-N 1 3 343.531 3.171 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196060033 1368540837 /nfs/dbraw/zinc/54/08/37/1368540837.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196060033 1368540841 /nfs/dbraw/zinc/54/08/41/1368540841.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060033 1368540845 /nfs/dbraw/zinc/54/08/45/1368540845.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001196060033 1368540847 /nfs/dbraw/zinc/54/08/47/1368540847.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198220989 1368982778 /nfs/dbraw/zinc/98/27/78/1368982778.db2.gz CBYRCOPQAUSBJJ-RTBURBONSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198220989 1368982782 /nfs/dbraw/zinc/98/27/82/1368982782.db2.gz CBYRCOPQAUSBJJ-RTBURBONSA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001198243812 1368988041 /nfs/dbraw/zinc/98/80/41/1368988041.db2.gz OCJCZMIIOWYRAH-SFHVURJKSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001198243812 1368988045 /nfs/dbraw/zinc/98/80/45/1368988045.db2.gz OCJCZMIIOWYRAH-SFHVURJKSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041400 1369963996 /nfs/dbraw/zinc/96/39/96/1369963996.db2.gz DWHFIPDTDVNHIT-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507588 1370148785 /nfs/dbraw/zinc/14/87/85/1370148785.db2.gz TXGSYYHSSLVGAL-MOPGFXCFSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648583 1370637062 /nfs/dbraw/zinc/63/70/62/1370637062.db2.gz YPQXUUPUQNQEFK-IBGZPJMESA-N 1 3 347.547 3.236 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001115730975 1370713784 /nfs/dbraw/zinc/71/37/84/1370713784.db2.gz WMMXESRBMIXAMI-UHFFFAOYSA-N 1 3 337.552 3.339 20 30 EGEDHO C[C@H]1CN(Cc2ccc(C#N)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206024878 1370942039 /nfs/dbraw/zinc/94/20/39/1370942039.db2.gz LOGDQSIILOYGQZ-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001206621875 1371110706 /nfs/dbraw/zinc/11/07/06/1371110706.db2.gz HFNGKAURNOZKQQ-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302355 1371929608 /nfs/dbraw/zinc/92/96/08/1371929608.db2.gz ZNMBDWSAFJJDAU-QAELIBMJSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001122242816 1372210394 /nfs/dbraw/zinc/21/03/94/1372210394.db2.gz QLYOZQDQNCAUCJ-SGPNKGFISA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188084179 1388238827 /nfs/dbraw/zinc/23/88/27/1388238827.db2.gz GFNXEPZFEAGDLC-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202180 1375205741 /nfs/dbraw/zinc/20/57/41/1375205741.db2.gz DLCPDWXMYJGNAD-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001229058756 1375753408 /nfs/dbraw/zinc/75/34/08/1375753408.db2.gz VGHPETLBQVEJKK-GOSISDBHSA-N 1 3 325.541 3.124 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266251838 1377248071 /nfs/dbraw/zinc/24/80/71/1377248071.db2.gz HIMLCISSXXNDRD-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266251838 1377248076 /nfs/dbraw/zinc/24/80/76/1377248076.db2.gz HIMLCISSXXNDRD-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C#CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557739 1377742018 /nfs/dbraw/zinc/74/20/18/1377742018.db2.gz PWQMSMAGKQBQGF-VXKWHMMOSA-N 1 3 346.474 3.262 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698437 1382173361 /nfs/dbraw/zinc/17/33/61/1382173361.db2.gz JMGCXQYOLRNVAQ-SFHVURJKSA-N 1 3 341.499 3.118 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536678 1383197506 /nfs/dbraw/zinc/19/75/06/1383197506.db2.gz PLXFBJAJRJULFP-GOSISDBHSA-N 1 3 349.563 3.482 20 30 EGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128269 1384736698 /nfs/dbraw/zinc/73/66/98/1384736698.db2.gz QPOQCEVWXYXOTE-IYWMVGAKSA-N 1 3 339.483 3.417 20 30 EGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128269 1384736701 /nfs/dbraw/zinc/73/67/01/1384736701.db2.gz QPOQCEVWXYXOTE-IYWMVGAKSA-N 1 3 339.483 3.417 20 30 EGEDHO COC(=O)c1cccc(C[NH2+]C2CCN([C@H](C)CCCC#N)CC2)c1 ZINC001172509716 1384807286 /nfs/dbraw/zinc/80/72/86/1384807286.db2.gz OPNMNNQXHKHQNU-MRXNPFEDSA-N 1 3 343.471 3.110 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263474 1385233686 /nfs/dbraw/zinc/23/36/86/1385233686.db2.gz QAZMAZFIPFWWDX-QFBILLFUSA-N 1 3 341.515 3.040 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N(C)CC ZINC001177353276 1385925946 /nfs/dbraw/zinc/92/59/46/1385925946.db2.gz WUSSWFIVEYDSIR-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177416271 1385949689 /nfs/dbraw/zinc/94/96/89/1385949689.db2.gz YKYCQNUQMFDBRW-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550414 1386511837 /nfs/dbraw/zinc/51/18/37/1386511837.db2.gz VVLCWUJDUCWROR-ROUUACIJSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180158466 1386717273 /nfs/dbraw/zinc/71/72/73/1386717273.db2.gz LPHHMDATDWYSBT-UHFFFAOYSA-N 1 3 334.508 3.273 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754903 1387050506 /nfs/dbraw/zinc/05/05/06/1387050506.db2.gz HUDZNYHAQDPNGV-YFVAEKQCSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181942095 1387080255 /nfs/dbraw/zinc/08/02/55/1387080255.db2.gz YYCLZBVGUKAMKG-FUHIMQAGSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182629307 1387198934 /nfs/dbraw/zinc/19/89/34/1387198934.db2.gz CATYOFHLKJZHFG-SFHLNBCPSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001755278722 1440799970 /nfs/dbraw/zinc/79/99/70/1440799970.db2.gz NVZJIOTZJBCIBN-CTWPCTMYSA-N 1 3 335.536 3.186 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755412639 1440847031 /nfs/dbraw/zinc/84/70/31/1440847031.db2.gz OYTWZXMTXJMPPH-SFHVURJKSA-N 1 3 349.563 3.412 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755412639 1440847032 /nfs/dbraw/zinc/84/70/32/1440847032.db2.gz OYTWZXMTXJMPPH-SFHVURJKSA-N 1 3 349.563 3.412 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001755760526 1440914868 /nfs/dbraw/zinc/91/48/68/1440914868.db2.gz OOJAFWAGHOPDHH-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000539086292 314295108 /nfs/dbraw/zinc/29/51/08/314295108.db2.gz GFYTUAWUOPRKSK-AVRDEDQJSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000539086292 314295110 /nfs/dbraw/zinc/29/51/10/314295110.db2.gz GFYTUAWUOPRKSK-AVRDEDQJSA-N 1 3 349.478 3.437 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960717 453890379 /nfs/dbraw/zinc/89/03/79/453890379.db2.gz QBFMJWDWMGDLJE-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960717 453890380 /nfs/dbraw/zinc/89/03/80/453890380.db2.gz QBFMJWDWMGDLJE-GOSISDBHSA-N 1 3 337.552 3.243 20 30 EGEDHO CC1CC[NH+](Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)CC1 ZINC000190720655 455372848 /nfs/dbraw/zinc/37/28/48/455372848.db2.gz BTJRPUZROIVHAH-UHFFFAOYSA-N 1 3 336.483 3.418 20 30 EGEDHO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185665438 455592555 /nfs/dbraw/zinc/59/25/55/455592555.db2.gz OYJOPXZMRUSGNP-SJLPKXTDSA-N 1 3 327.472 3.180 20 30 EGEDHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353426931 456692325 /nfs/dbraw/zinc/69/23/25/456692325.db2.gz NOSBTBTUSKJEDW-OAQYLSRUSA-N 1 3 335.451 3.276 20 30 EGEDHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000354033033 457021792 /nfs/dbraw/zinc/02/17/92/457021792.db2.gz HHKPTOOQUPLUMM-QZTJIDSGSA-N 1 3 341.499 3.270 20 30 EGEDHO CC(C)N1CCN(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411429725 457886709 /nfs/dbraw/zinc/88/67/09/457886709.db2.gz UUXULQDFDDZLNC-UHFFFAOYSA-N 1 3 346.563 3.341 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424141452 458568718 /nfs/dbraw/zinc/56/87/18/458568718.db2.gz XFVZDULFCWJGQG-CRAIPNDOSA-N 1 3 328.460 3.021 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424141452 458568724 /nfs/dbraw/zinc/56/87/24/458568724.db2.gz XFVZDULFCWJGQG-CRAIPNDOSA-N 1 3 328.460 3.021 20 30 EGEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000594968072 459199652 /nfs/dbraw/zinc/19/96/52/459199652.db2.gz DPBKLCXAFBPSQC-UHFFFAOYSA-N 1 3 338.430 3.094 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560546043 459371080 /nfs/dbraw/zinc/37/10/80/459371080.db2.gz SKBUTMHPGMPCKV-FNAHDJPLSA-N 1 3 342.527 3.451 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440432 460221410 /nfs/dbraw/zinc/22/14/10/460221410.db2.gz CGFBJJYGCQCCAV-QFBILLFUSA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440432 460221415 /nfs/dbraw/zinc/22/14/15/460221415.db2.gz CGFBJJYGCQCCAV-QFBILLFUSA-N 1 3 342.487 3.411 20 30 EGEDHO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000152976747 526604739 /nfs/dbraw/zinc/60/47/39/526604739.db2.gz CCAUEEIPXRQWDC-SFHVURJKSA-N 1 3 345.531 3.318 20 30 EGEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)cc1Cl ZINC000303891300 1296872304 /nfs/dbraw/zinc/87/23/04/1296872304.db2.gz QOZSSYDZUIHGQD-ZDUSSCGKSA-N 1 3 338.883 3.196 20 30 EGEDHO C#CC[N@H+](C)CCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000815652590 1319038506 /nfs/dbraw/zinc/03/85/06/1319038506.db2.gz JIUJFCFYLUHFKS-INIZCTEOSA-N 1 3 339.252 3.120 20 30 EGEDHO C#CC[N@@H+](C)CCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000815652590 1319038514 /nfs/dbraw/zinc/03/85/14/1319038514.db2.gz JIUJFCFYLUHFKS-INIZCTEOSA-N 1 3 339.252 3.120 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632952 1319753503 /nfs/dbraw/zinc/75/35/03/1319753503.db2.gz SDAAECJBNNAXFJ-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632952 1319753511 /nfs/dbraw/zinc/75/35/11/1319753511.db2.gz SDAAECJBNNAXFJ-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001026590916 1324916512 /nfs/dbraw/zinc/91/65/12/1324916512.db2.gz LJHVHWBQSGYYBM-ACBHZAAOSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049760673 1348005941 /nfs/dbraw/zinc/00/59/41/1348005941.db2.gz AXXJZFKGZIOIBN-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049760673 1348005943 /nfs/dbraw/zinc/00/59/43/1348005943.db2.gz AXXJZFKGZIOIBN-VAMGGRTRSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829295 1333700804 /nfs/dbraw/zinc/70/08/04/1333700804.db2.gz JEBWMZOFICGJTD-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829295 1333700805 /nfs/dbraw/zinc/70/08/05/1333700805.db2.gz JEBWMZOFICGJTD-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(Br)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206011485 1370938264 /nfs/dbraw/zinc/93/82/64/1370938264.db2.gz CPYZQCCTXWAWPV-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039309532 1345007519 /nfs/dbraw/zinc/00/75/19/1345007519.db2.gz PFWNEFYSVCXDSN-IHWFROFDSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041722797 1345831815 /nfs/dbraw/zinc/83/18/15/1345831815.db2.gz AGANSZZNCMTIFB-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041722797 1345831820 /nfs/dbraw/zinc/83/18/20/1345831820.db2.gz AGANSZZNCMTIFB-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052762742 1348668078 /nfs/dbraw/zinc/66/80/78/1348668078.db2.gz BKRJKCPDEVSZAE-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001052762742 1348668080 /nfs/dbraw/zinc/66/80/80/1348668080.db2.gz BKRJKCPDEVSZAE-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001052763163 1348668891 /nfs/dbraw/zinc/66/88/91/1348668891.db2.gz DOPKVBJXUXIWJK-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001052763163 1348668893 /nfs/dbraw/zinc/66/88/93/1348668893.db2.gz DOPKVBJXUXIWJK-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509421 1360480864 /nfs/dbraw/zinc/48/08/64/1360480864.db2.gz BRTHLJJZKWKQJF-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509421 1360480866 /nfs/dbraw/zinc/48/08/66/1360480866.db2.gz BRTHLJJZKWKQJF-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510640 1360482195 /nfs/dbraw/zinc/48/21/95/1360482195.db2.gz ZHEZOHXTFDZSTE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510640 1360482198 /nfs/dbraw/zinc/48/21/98/1360482198.db2.gz ZHEZOHXTFDZSTE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536686 1360496037 /nfs/dbraw/zinc/49/60/37/1360496037.db2.gz FJGXVENMXIMNGP-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536686 1360496038 /nfs/dbraw/zinc/49/60/38/1360496038.db2.gz FJGXVENMXIMNGP-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089648530 1360561669 /nfs/dbraw/zinc/56/16/69/1360561669.db2.gz LYPHJZMGKVBNAP-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089648530 1360561673 /nfs/dbraw/zinc/56/16/73/1360561673.db2.gz LYPHJZMGKVBNAP-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096605067 1362594248 /nfs/dbraw/zinc/59/42/48/1362594248.db2.gz YSLMHHATHJHELS-AABGKKOBSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096605067 1362594249 /nfs/dbraw/zinc/59/42/49/1362594249.db2.gz YSLMHHATHJHELS-AABGKKOBSA-N 1 3 341.499 3.050 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185546396 1387744166 /nfs/dbraw/zinc/74/41/66/1387744166.db2.gz BKYKWKNOHXPGIX-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568017 1366535592 /nfs/dbraw/zinc/53/55/92/1366535592.db2.gz CZYFMAIJHHAXOK-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107035831 1366862164 /nfs/dbraw/zinc/86/21/64/1366862164.db2.gz AHIABYVMWMLPRU-AQNXPRMDSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704696 1367543711 /nfs/dbraw/zinc/54/37/11/1367543711.db2.gz QIAUOFXEGHJNIW-NSHGMRRFSA-N 1 3 349.563 3.410 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832155 1367625400 /nfs/dbraw/zinc/62/54/00/1367625400.db2.gz OGEIBXKTTPRVRQ-FHWLQOOXSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832156 1367625668 /nfs/dbraw/zinc/62/56/68/1367625668.db2.gz OGEIBXKTTPRVRQ-OTWHNJEPSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585605 1368937811 /nfs/dbraw/zinc/93/78/11/1368937811.db2.gz HRUMDCOOMVZVOQ-ZVDOUQERSA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198220988 1368982867 /nfs/dbraw/zinc/98/28/67/1368982867.db2.gz CBYRCOPQAUSBJJ-OALUTQOASA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198220988 1368982870 /nfs/dbraw/zinc/98/28/70/1368982870.db2.gz CBYRCOPQAUSBJJ-OALUTQOASA-N 1 3 337.552 3.364 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203506739 1370148026 /nfs/dbraw/zinc/14/80/26/1370148026.db2.gz LEVUSOGRSMYZQN-MSOLQXFVSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507589 1370148806 /nfs/dbraw/zinc/14/88/06/1370148806.db2.gz TXGSYYHSSLVGAL-OALUTQOASA-N 1 3 349.563 3.482 20 30 EGEDHO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206002897 1370934705 /nfs/dbraw/zinc/93/47/05/1370934705.db2.gz CJWMWDCLRDNBRX-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCCCCN1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209423529 1372102728 /nfs/dbraw/zinc/10/27/28/1372102728.db2.gz WLTGXZYFSQWLBB-SFHVURJKSA-N 1 3 336.520 3.472 20 30 EGEDHO C=CCCCCCN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209423529 1372102729 /nfs/dbraw/zinc/10/27/29/1372102729.db2.gz WLTGXZYFSQWLBB-SFHVURJKSA-N 1 3 336.520 3.472 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001215973032 1373252626 /nfs/dbraw/zinc/25/26/26/1373252626.db2.gz MGBSUUGMOHJIMX-GUDVDZBRSA-N 1 3 337.552 3.290 20 30 EGEDHO CCCCCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402775 1375066825 /nfs/dbraw/zinc/06/68/25/1375066825.db2.gz PCYSGDJTGMVOMH-LJQANCHMSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800221 1375337885 /nfs/dbraw/zinc/33/78/85/1375337885.db2.gz ICQBCEDPHXAIPZ-QRVBRYPASA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772497 1376712157 /nfs/dbraw/zinc/71/21/57/1376712157.db2.gz FBORGRBHNIJZGS-DLBZAZTESA-N 1 3 325.541 3.336 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691619 1377185468 /nfs/dbraw/zinc/18/54/68/1377185468.db2.gz XREIHGGXIWWWHI-QZTJIDSGSA-N 1 3 325.541 3.338 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585500 1378871826 /nfs/dbraw/zinc/87/18/26/1378871826.db2.gz ZAMPZXIOXHXMGI-DLBZAZTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157137990 1380784445 /nfs/dbraw/zinc/78/44/45/1380784445.db2.gz KOKJGSNAAUHVQE-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157137990 1380784448 /nfs/dbraw/zinc/78/44/48/1380784448.db2.gz KOKJGSNAAUHVQE-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406278 1382095673 /nfs/dbraw/zinc/09/56/73/1382095673.db2.gz MSHNVMIKGZSDMG-FQEVSTJZSA-N 1 3 349.563 3.457 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406278 1382095675 /nfs/dbraw/zinc/09/56/75/1382095675.db2.gz MSHNVMIKGZSDMG-FQEVSTJZSA-N 1 3 349.563 3.457 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485170 1383301694 /nfs/dbraw/zinc/30/16/94/1383301694.db2.gz NYGXKOPDJZQUQU-SFHVURJKSA-N 1 3 337.552 3.173 20 30 EGEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168394727 1383894736 /nfs/dbraw/zinc/89/47/36/1383894736.db2.gz DSOUWKDOSPLMCA-OAQYLSRUSA-N 1 3 339.483 3.276 20 30 EGEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168394727 1383894740 /nfs/dbraw/zinc/89/47/40/1383894740.db2.gz DSOUWKDOSPLMCA-OAQYLSRUSA-N 1 3 339.483 3.276 20 30 EGEDHO COCCC[NH+]1CCC(N[C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001172247956 1384755880 /nfs/dbraw/zinc/75/58/80/1384755880.db2.gz RTDKKOUQZIUFPO-HXUWFJFHSA-N 1 3 329.488 3.346 20 30 EGEDHO COc1ccccc1C1([NH3+])CCN(C2CCC(CC#N)CC2)CC1 ZINC001173333506 1384960800 /nfs/dbraw/zinc/96/08/00/1384960800.db2.gz NQYKHDGXTDDFQM-UHFFFAOYSA-N 1 3 327.472 3.417 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754139 1385684383 /nfs/dbraw/zinc/68/43/83/1385684383.db2.gz RLOQWZXKBZKQOM-SFHVURJKSA-N 1 3 325.541 3.338 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N(C)CC ZINC001177353293 1385926212 /nfs/dbraw/zinc/92/62/12/1385926212.db2.gz XGIZIUMBYBPEJE-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177415783 1385948891 /nfs/dbraw/zinc/94/88/91/1385948891.db2.gz LJYZBZFGBRBUFF-IBGZPJMESA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853696 1386329502 /nfs/dbraw/zinc/32/95/02/1386329502.db2.gz OMOMEOMLPWSLFR-KRWDZBQOSA-N 1 3 325.541 3.338 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182807596 1387228180 /nfs/dbraw/zinc/22/81/80/1387228180.db2.gz VFILVSRNYOGYED-SVFBPWRDSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001752432304 1440178880 /nfs/dbraw/zinc/17/88/80/1440178880.db2.gz SVGPNIJKKWGUMY-GOSISDBHSA-N 1 3 346.519 3.202 20 30 EGEDHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752442672 1440181710 /nfs/dbraw/zinc/18/17/10/1440181710.db2.gz YMEFULDEPIZFLF-AZUAARDMSA-N 1 3 349.563 3.386 20 30 EGEDHO C=C(C)CN[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001753312495 1440357100 /nfs/dbraw/zinc/35/71/00/1440357100.db2.gz SBUXRABLCSKFOK-UYAOXDASSA-N 1 3 343.515 3.274 20 30 EGEDHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753794627 1440489491 /nfs/dbraw/zinc/48/94/91/1440489491.db2.gz PPWZVIVJHCLWFX-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001754722513 1440673982 /nfs/dbraw/zinc/67/39/82/1440673982.db2.gz ZECKQCZYOMVBPO-HDICACEKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272700883 201258164 /nfs/dbraw/zinc/25/81/64/201258164.db2.gz YOXNPDGKLOUXLL-ICSRJNTNSA-N 1 3 327.516 3.137 20 30 EGEDHO CCCCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124375869 454726065 /nfs/dbraw/zinc/72/60/65/454726065.db2.gz ZLEXQACMYXTHID-UHFFFAOYSA-N 1 3 337.552 3.412 20 30 EGEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000191464684 455487652 /nfs/dbraw/zinc/48/76/52/455487652.db2.gz RUSHUNDDLWSBMJ-UHFFFAOYSA-N 1 3 329.532 3.133 20 30 EGEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000191464684 455487658 /nfs/dbraw/zinc/48/76/58/455487658.db2.gz RUSHUNDDLWSBMJ-UHFFFAOYSA-N 1 3 329.532 3.133 20 30 EGEDHO N#CCCCOc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000171246382 455050201 /nfs/dbraw/zinc/05/02/01/455050201.db2.gz GXGHKPHZHLWUDU-UHFFFAOYSA-N 1 3 327.472 3.333 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278791615 455848249 /nfs/dbraw/zinc/84/82/49/455848249.db2.gz QLPKJGBHCDYPOK-QKLQHJQFSA-N 1 3 329.488 3.488 20 30 EGEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226855 457783579 /nfs/dbraw/zinc/78/35/79/457783579.db2.gz IMZBKPJOFFCGHQ-GGPKGHCWSA-N 1 3 341.499 3.243 20 30 EGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414319770 458317276 /nfs/dbraw/zinc/31/72/76/458317276.db2.gz ALRZXLYFLYITDT-SJORKVTESA-N 1 3 343.515 3.074 20 30 EGEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000424298160 458607922 /nfs/dbraw/zinc/60/79/22/458607922.db2.gz SBLGHMRKVZCZHX-QSUVIHHLSA-N 1 3 326.484 3.078 20 30 EGEDHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000566909052 459020394 /nfs/dbraw/zinc/02/03/94/459020394.db2.gz LFXORJGKGOFCNB-GWFLUQINSA-N 1 3 327.472 3.226 20 30 EGEDHO N#C[C@H]1CC[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000442783361 459035190 /nfs/dbraw/zinc/03/51/90/459035190.db2.gz QAFYFQMYNMOKNJ-VQTJNVASSA-N 1 3 341.499 3.340 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1C#N ZINC000481190697 459239043 /nfs/dbraw/zinc/23/90/43/459239043.db2.gz LQTLLOJKPJMZEX-GHTZIAJQSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1C#N ZINC000481190697 459239045 /nfs/dbraw/zinc/23/90/45/459239045.db2.gz LQTLLOJKPJMZEX-GHTZIAJQSA-N 1 3 349.478 3.437 20 30 EGEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000593324583 459843146 /nfs/dbraw/zinc/84/31/46/459843146.db2.gz XRVMDHYNBIBOEM-VXKWHMMOSA-N 1 3 346.478 3.257 20 30 EGEDHO N#Cc1cccc(CN2CCC(N[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000593324583 459843151 /nfs/dbraw/zinc/84/31/51/459843151.db2.gz XRVMDHYNBIBOEM-VXKWHMMOSA-N 1 3 346.478 3.257 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598714687 460003569 /nfs/dbraw/zinc/00/35/69/460003569.db2.gz IJVAYAFNEMMWBA-XLIONFOSSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598714687 460003573 /nfs/dbraw/zinc/00/35/73/460003573.db2.gz IJVAYAFNEMMWBA-XLIONFOSSA-N 1 3 343.515 3.451 20 30 EGEDHO C=CCc1cc(OCC)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[O-] ZINC000738076446 576285190 /nfs/dbraw/zinc/28/51/90/576285190.db2.gz LQKZALQBWAIKHC-UHFFFAOYSA-N 1 3 332.488 3.293 20 30 EGEDHO CC[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCCC1 ZINC000160656352 1294273885 /nfs/dbraw/zinc/27/38/85/1294273885.db2.gz UHFYPIDAAIIHRK-LBPRGKRZSA-N 1 3 344.381 3.186 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957602851 1317492045 /nfs/dbraw/zinc/49/20/45/1317492045.db2.gz IMKLZSOVORTPIG-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647586 1317519454 /nfs/dbraw/zinc/51/94/54/1317519454.db2.gz ODIXWSQAIXFCSG-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C#C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000809781457 1317899745 /nfs/dbraw/zinc/89/97/45/1317899745.db2.gz RONUVHAQSYAWBJ-FQEVSTJZSA-N 1 3 327.516 3.355 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632949 1319754306 /nfs/dbraw/zinc/75/43/06/1319754306.db2.gz SDAAECJBNNAXFJ-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632949 1319754309 /nfs/dbraw/zinc/75/43/09/1319754309.db2.gz SDAAECJBNNAXFJ-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(O)c(OC)c1 ZINC000840085933 1321024222 /nfs/dbraw/zinc/02/42/22/1321024222.db2.gz IUVQSIKURKDJKE-FQEVSTJZSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(O)c(OC)c1 ZINC000840085933 1321024227 /nfs/dbraw/zinc/02/42/27/1321024227.db2.gz IUVQSIKURKDJKE-FQEVSTJZSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCCCCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000848071420 1321928951 /nfs/dbraw/zinc/92/89/51/1321928951.db2.gz QIGVXBYJBDKXRG-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000964437095 1325525248 /nfs/dbraw/zinc/52/52/48/1325525248.db2.gz KWFSPFKIWFBMJA-UHFFFAOYSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829815 1333702008 /nfs/dbraw/zinc/70/20/08/1333702008.db2.gz WXTLRDBEPUEIMX-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829815 1333702009 /nfs/dbraw/zinc/70/20/09/1333702009.db2.gz WXTLRDBEPUEIMX-RTBURBONSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542826 1342602277 /nfs/dbraw/zinc/60/22/77/1342602277.db2.gz BKGAIMIEUZCMSC-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542826 1342602278 /nfs/dbraw/zinc/60/22/78/1342602278.db2.gz BKGAIMIEUZCMSC-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545602 1345540265 /nfs/dbraw/zinc/54/02/65/1345540265.db2.gz RRZRAYSPZLVQDO-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545602 1345540267 /nfs/dbraw/zinc/54/02/67/1345540267.db2.gz RRZRAYSPZLVQDO-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937795 1346774557 /nfs/dbraw/zinc/77/45/57/1346774557.db2.gz KPJJEHJGKXVSAX-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937795 1346774559 /nfs/dbraw/zinc/77/45/59/1346774559.db2.gz KPJJEHJGKXVSAX-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942800 1346778682 /nfs/dbraw/zinc/77/86/82/1346778682.db2.gz ZYBWFDDZFXLMQR-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942800 1346778684 /nfs/dbraw/zinc/77/86/84/1346778684.db2.gz ZYBWFDDZFXLMQR-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048528210 1347578928 /nfs/dbraw/zinc/57/89/28/1347578928.db2.gz ZTMXQHYHWKHADN-YRPNKDGESA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048528210 1347578930 /nfs/dbraw/zinc/57/89/30/1347578930.db2.gz ZTMXQHYHWKHADN-YRPNKDGESA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3CCC)cc2C1 ZINC001054267125 1349263462 /nfs/dbraw/zinc/26/34/62/1349263462.db2.gz ARIBYSSYSIGXHN-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267125 1349263465 /nfs/dbraw/zinc/26/34/65/1349263465.db2.gz ARIBYSSYSIGXHN-HXUWFJFHSA-N 1 3 341.499 3.069 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001235588535 1376877774 /nfs/dbraw/zinc/87/77/74/1376877774.db2.gz KYTRKNDBYDUVDZ-ROUUACIJSA-N 1 3 325.541 3.076 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636454 1359565871 /nfs/dbraw/zinc/56/58/71/1359565871.db2.gz QWIGRYLPWPUKBZ-OTWHNJEPSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636454 1359565873 /nfs/dbraw/zinc/56/58/73/1359565873.db2.gz QWIGRYLPWPUKBZ-OTWHNJEPSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184413113 1387454192 /nfs/dbraw/zinc/45/41/92/1387454192.db2.gz XSZAHAGOUBVWPY-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510641 1360482084 /nfs/dbraw/zinc/48/20/84/1360482084.db2.gz ZHEZOHXTFDZSTE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510641 1360482086 /nfs/dbraw/zinc/48/20/86/1360482086.db2.gz ZHEZOHXTFDZSTE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098460071 1363332005 /nfs/dbraw/zinc/33/20/05/1363332005.db2.gz YSLMHHATHJHELS-AQNXPRMDSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098460071 1363332010 /nfs/dbraw/zinc/33/20/10/1363332010.db2.gz YSLMHHATHJHELS-AQNXPRMDSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099153974 1363660026 /nfs/dbraw/zinc/66/00/26/1363660026.db2.gz RJRHMYCCMNCDJM-OALUTQOASA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099153974 1363660036 /nfs/dbraw/zinc/66/00/36/1363660036.db2.gz RJRHMYCCMNCDJM-OALUTQOASA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099371818 1363777386 /nfs/dbraw/zinc/77/73/86/1363777386.db2.gz JKKOYLJUMIRRJY-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549871 1364612945 /nfs/dbraw/zinc/61/29/45/1364612945.db2.gz ZORWNCACSWGTLZ-SFHVURJKSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071275 1364836996 /nfs/dbraw/zinc/83/69/96/1364836996.db2.gz ISBISNROOLNUSU-QRVBRYPASA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071275 1364837000 /nfs/dbraw/zinc/83/70/00/1364837000.db2.gz ISBISNROOLNUSU-QRVBRYPASA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104382 1364858884 /nfs/dbraw/zinc/85/88/84/1364858884.db2.gz SSSCTEDCJIBQNA-QZTJIDSGSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104382 1364858887 /nfs/dbraw/zinc/85/88/87/1364858887.db2.gz SSSCTEDCJIBQNA-QZTJIDSGSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680746 1366129390 /nfs/dbraw/zinc/12/93/90/1366129390.db2.gz WUKUPCVXMUTXEQ-XUVXKRRUSA-N 1 3 349.563 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682107 1366130022 /nfs/dbraw/zinc/13/00/22/1366130022.db2.gz BGLSBHBHMNYHJC-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282118 1366642944 /nfs/dbraw/zinc/64/29/44/1366642944.db2.gz UWMPZPFCHWEELB-QRVBRYPASA-N 1 3 337.552 3.003 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996717 1367398875 /nfs/dbraw/zinc/39/88/75/1367398875.db2.gz IHLVSEGOKIGZKT-QGZVFWFLSA-N 1 3 325.541 3.220 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996717 1367398881 /nfs/dbraw/zinc/39/88/81/1367398881.db2.gz IHLVSEGOKIGZKT-QGZVFWFLSA-N 1 3 325.541 3.220 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803314 1367605345 /nfs/dbraw/zinc/60/53/45/1367605345.db2.gz AGVRTLDWJPKNEM-OTWHNJEPSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396758 1368805704 /nfs/dbraw/zinc/80/57/04/1368805704.db2.gz NCHFPUNMBQBCSM-UXHICEINSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396758 1368805710 /nfs/dbraw/zinc/80/57/10/1368805710.db2.gz NCHFPUNMBQBCSM-UXHICEINSA-N 1 3 347.547 3.284 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540398 1368920348 /nfs/dbraw/zinc/92/03/48/1368920348.db2.gz UZQLFGHEEPWUBH-ZJOUEHCJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186604694 1387983826 /nfs/dbraw/zinc/98/38/26/1387983826.db2.gz GTQNMZRSSXKTJY-IBGZPJMESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186604694 1387983833 /nfs/dbraw/zinc/98/38/33/1387983833.db2.gz GTQNMZRSSXKTJY-IBGZPJMESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648584 1370637035 /nfs/dbraw/zinc/63/70/35/1370637035.db2.gz YPQXUUPUQNQEFK-LJQANCHMSA-N 1 3 347.547 3.236 20 30 EGEDHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC001206304688 1371017071 /nfs/dbraw/zinc/01/70/71/1371017071.db2.gz OBLAAVGGRVQYKU-INIZCTEOSA-N 1 3 336.277 3.272 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935035 1372127147 /nfs/dbraw/zinc/12/71/47/1372127147.db2.gz DFUFYMHAFJITCS-UHFFFAOYSA-N 1 3 335.536 3.092 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935162 1372127232 /nfs/dbraw/zinc/12/72/32/1372127232.db2.gz JSUBXDKPJYMMCK-UHFFFAOYSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001122242815 1372210181 /nfs/dbraw/zinc/21/01/81/1372210181.db2.gz QLYOZQDQNCAUCJ-RBUNFDSBSA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828552 1373348346 /nfs/dbraw/zinc/34/83/46/1373348346.db2.gz JICOXLHFNNUPTG-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541982 1375122575 /nfs/dbraw/zinc/12/25/75/1375122575.db2.gz FQWYJCKTCXPUDS-KDURUIRLSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347358 1375936005 /nfs/dbraw/zinc/93/60/05/1375936005.db2.gz WDSMRRXNKWKLPW-OALUTQOASA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235588535 1376877762 /nfs/dbraw/zinc/87/77/62/1376877762.db2.gz KYTRKNDBYDUVDZ-ROUUACIJSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001235588535 1376877769 /nfs/dbraw/zinc/87/77/69/1376877769.db2.gz KYTRKNDBYDUVDZ-ROUUACIJSA-N 1 3 325.541 3.076 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582165 1378870613 /nfs/dbraw/zinc/87/06/13/1378870613.db2.gz FINLAHAQYNLXOR-DLBZAZTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146585085 1378871023 /nfs/dbraw/zinc/87/10/23/1378871023.db2.gz WPQJNJMNEJSOJE-SJORKVTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161220201 1382346536 /nfs/dbraw/zinc/34/65/36/1382346536.db2.gz YQJRYIJFLHWGHO-IBGZPJMESA-N 1 3 347.547 3.213 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161220201 1382346537 /nfs/dbraw/zinc/34/65/37/1382346537.db2.gz YQJRYIJFLHWGHO-IBGZPJMESA-N 1 3 347.547 3.213 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164537012 1383197446 /nfs/dbraw/zinc/19/74/46/1383197446.db2.gz ZVCCOMWPAYGIBY-UHFFFAOYSA-N 1 3 335.536 3.093 20 30 EGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001171194199 1384465444 /nfs/dbraw/zinc/46/54/44/1384465444.db2.gz HMEPFYHNMCSAST-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCOC1CCC(N2CCC([NH3+])(c3ccccc3OC)CC2)CC1 ZINC001173318763 1384957222 /nfs/dbraw/zinc/95/72/22/1384957222.db2.gz KVFCRFXETPMWJL-UHFFFAOYSA-N 1 3 344.499 3.459 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571763 1385335633 /nfs/dbraw/zinc/33/56/33/1385335633.db2.gz FRFSNIJMVCAQIQ-MOPGFXCFSA-N 1 3 337.552 3.480 20 30 EGEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCCCCC ZINC001177440202 1385957458 /nfs/dbraw/zinc/95/74/58/1385957458.db2.gz DEYVTGHKVJCYAR-UHFFFAOYSA-N 1 3 349.563 3.130 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779833 1386582396 /nfs/dbraw/zinc/58/23/96/1386582396.db2.gz YOJQXZUUPWXIQV-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181942096 1387080169 /nfs/dbraw/zinc/08/01/69/1387080169.db2.gz YYCLZBVGUKAMKG-MBOZVWFJSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182590785 1387193148 /nfs/dbraw/zinc/19/31/48/1387193148.db2.gz TVYBNYXQCOOGSM-GOSISDBHSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706660 1440202844 /nfs/dbraw/zinc/20/28/44/1440202844.db2.gz IPVQXZMVHIQMSG-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706660 1440202845 /nfs/dbraw/zinc/20/28/45/1440202845.db2.gz IPVQXZMVHIQMSG-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001753282096 1440347829 /nfs/dbraw/zinc/34/78/29/1440347829.db2.gz ACFLBDZAQXIAOI-MJGOQNOKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001753748706 1440481894 /nfs/dbraw/zinc/48/18/94/1440481894.db2.gz UGNNDIKRAOUBGB-AZUAARDMSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753793905 1440489388 /nfs/dbraw/zinc/48/93/88/1440489388.db2.gz IIZVLAKYXBKICS-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001754342765 1440588681 /nfs/dbraw/zinc/58/86/81/1440588681.db2.gz YNEMKRLCPYLBMC-RBUKOAKNSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001754646810 1440650558 /nfs/dbraw/zinc/65/05/58/1440650558.db2.gz JALOUOZWDOSCGN-SFHVURJKSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001754786545 1440688082 /nfs/dbraw/zinc/68/80/82/1440688082.db2.gz ZMWYBNPQOSQGDR-HXUWFJFHSA-N 1 3 349.563 3.243 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001754844443 1440698737 /nfs/dbraw/zinc/69/87/37/1440698737.db2.gz LGVQOKHKVATTPY-BGYRXZFFSA-N 1 3 349.563 3.079 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001754844443 1440698738 /nfs/dbraw/zinc/69/87/38/1440698738.db2.gz LGVQOKHKVATTPY-BGYRXZFFSA-N 1 3 349.563 3.079 20 30 EGEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C#N)cc1 ZINC000414520683 267148200 /nfs/dbraw/zinc/14/82/00/267148200.db2.gz AUUHEAXYJPZKSD-FGZHOGPDSA-N 1 3 349.478 3.185 20 30 EGEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C#N)cc1 ZINC000414520683 267148201 /nfs/dbraw/zinc/14/82/01/267148201.db2.gz AUUHEAXYJPZKSD-FGZHOGPDSA-N 1 3 349.478 3.185 20 30 EGEDHO COc1ccc(NC(=[NH2+])NCc2ccccc2CN(C)C(C)C)cc1 ZINC000264144648 455193522 /nfs/dbraw/zinc/19/35/22/455193522.db2.gz XLENZDAPKDOYRB-UHFFFAOYSA-N 1 3 340.471 3.462 20 30 EGEDHO N#CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017617 /nfs/dbraw/zinc/01/76/17/456017617.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 1 3 347.462 3.153 20 30 EGEDHO N#CCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017620 /nfs/dbraw/zinc/01/76/20/456017620.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 1 3 347.462 3.153 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596704 457786144 /nfs/dbraw/zinc/78/61/44/457786144.db2.gz YOPCCPBKQXFFBZ-IBGZPJMESA-N 1 3 349.563 3.388 20 30 EGEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433342037 457815117 /nfs/dbraw/zinc/81/51/17/457815117.db2.gz IDJDPVRXFMUBGW-LJQANCHMSA-N 1 3 341.499 3.482 20 30 EGEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433342037 457815123 /nfs/dbraw/zinc/81/51/23/457815123.db2.gz IDJDPVRXFMUBGW-LJQANCHMSA-N 1 3 341.499 3.482 20 30 EGEDHO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OCCN(C)C)c1 ZINC000595058195 459230754 /nfs/dbraw/zinc/23/07/54/459230754.db2.gz ZFMMFNFHTHJRML-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN(C)C ZINC000491591330 459638823 /nfs/dbraw/zinc/63/88/23/459638823.db2.gz JWRUKQWIXRGMSX-KRWDZBQOSA-N 1 3 337.467 3.425 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593687 459957533 /nfs/dbraw/zinc/95/75/33/459957533.db2.gz VUVGBWNOCAUYJV-IEBWSBKVSA-N 1 3 335.536 3.264 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593687 459957537 /nfs/dbraw/zinc/95/75/37/459957537.db2.gz VUVGBWNOCAUYJV-IEBWSBKVSA-N 1 3 335.536 3.264 20 30 EGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000611393083 460353843 /nfs/dbraw/zinc/35/38/43/460353843.db2.gz IDCSZQSRBRGIJI-LAUBAEHRSA-N 1 3 339.483 3.026 20 30 EGEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754712 460431896 /nfs/dbraw/zinc/43/18/96/460431896.db2.gz ISSKOGGCSAZNGG-KXBFYZLASA-N 1 3 349.906 3.438 20 30 EGEDHO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000303876140 1296865891 /nfs/dbraw/zinc/86/58/91/1296865891.db2.gz DQTUTNIWCMRLLP-ZDUSSCGKSA-N 1 3 344.381 3.186 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000303885197 1296866961 /nfs/dbraw/zinc/86/69/61/1296866961.db2.gz JNQVKIYBZBKITO-CVEARBPZSA-N 1 3 332.492 3.321 20 30 EGEDHO CN(CCC[NH+]=C(NCc1ccccc1)N(C)C)Cc1ccccc1 ZINC000849054288 1322061166 /nfs/dbraw/zinc/06/11/66/1322061166.db2.gz BKKQVPGBLFVYLV-UHFFFAOYSA-N 1 3 338.499 3.216 20 30 EGEDHO C[NH+]1CCC(C)(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921978639 1322433586 /nfs/dbraw/zinc/43/35/86/1322433586.db2.gz SODDQZAIUGVRTI-UHFFFAOYSA-N 1 3 336.277 3.142 20 30 EGEDHO N#Cc1ccc(Br)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000922067466 1322447680 /nfs/dbraw/zinc/44/76/80/1322447680.db2.gz DWMYFUIIYFWYKM-UHFFFAOYSA-N 1 3 348.288 3.285 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310255 1325095202 /nfs/dbraw/zinc/09/52/02/1325095202.db2.gz CVZQVRFSHKRMGW-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310255 1325095211 /nfs/dbraw/zinc/09/52/11/1325095211.db2.gz CVZQVRFSHKRMGW-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001008273776 1336811567 /nfs/dbraw/zinc/81/15/67/1336811567.db2.gz AHFLJEMJXHULDM-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001008273776 1336811570 /nfs/dbraw/zinc/81/15/70/1336811570.db2.gz AHFLJEMJXHULDM-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945024 1346780566 /nfs/dbraw/zinc/78/05/66/1346780566.db2.gz MTPMZRUHYVYXGX-FPOVZHCZSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945024 1346780569 /nfs/dbraw/zinc/78/05/69/1346780569.db2.gz MTPMZRUHYVYXGX-FPOVZHCZSA-N 1 3 349.563 3.243 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001235588534 1376877007 /nfs/dbraw/zinc/87/70/07/1376877007.db2.gz KYTRKNDBYDUVDZ-MSOLQXFVSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001235588534 1376877013 /nfs/dbraw/zinc/87/70/13/1376877013.db2.gz KYTRKNDBYDUVDZ-MSOLQXFVSA-N 1 3 325.541 3.076 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098463883 1363333450 /nfs/dbraw/zinc/33/34/50/1363333450.db2.gz HJQSLRYDHAAWQM-RLLQIKCJSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098463883 1363333453 /nfs/dbraw/zinc/33/34/53/1363333453.db2.gz HJQSLRYDHAAWQM-RLLQIKCJSA-N 1 3 341.499 3.050 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348711 1363764494 /nfs/dbraw/zinc/76/44/94/1363764494.db2.gz KZKXOOPMIYEIJZ-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101521798 1364596494 /nfs/dbraw/zinc/59/64/94/1364596494.db2.gz BIPMJTXQJKAVMU-PKOBYXMFSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550531 1365629121 /nfs/dbraw/zinc/62/91/21/1365629121.db2.gz VBWXNPBBZHRJTF-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550531 1365629124 /nfs/dbraw/zinc/62/91/24/1365629124.db2.gz VBWXNPBBZHRJTF-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753448 1366157509 /nfs/dbraw/zinc/15/75/09/1366157509.db2.gz BHUKUMHBAYTMIO-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568066 1366536390 /nfs/dbraw/zinc/53/63/90/1366536390.db2.gz DXFVWJISTFBYFQ-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134277 1366613698 /nfs/dbraw/zinc/61/36/98/1366613698.db2.gz XXEYRDFPVUMZSS-GUDVDZBRSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186081867 1387862501 /nfs/dbraw/zinc/86/25/01/1387862501.db2.gz CDUOKGNUQPLEBA-MOPGFXCFSA-N 1 3 337.552 3.410 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703562 1367543468 /nfs/dbraw/zinc/54/34/68/1367543468.db2.gz QTSOBMUJTJITHE-FHWLQOOXSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028991 1367927957 /nfs/dbraw/zinc/92/79/57/1367927957.db2.gz WXICTPWTPDUEDS-LJQANCHMSA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028991 1367927960 /nfs/dbraw/zinc/92/79/60/1367927960.db2.gz WXICTPWTPDUEDS-LJQANCHMSA-N 1 3 337.552 3.221 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110693613 1367932116 /nfs/dbraw/zinc/93/21/16/1367932116.db2.gz OYDWEZFFMZAJLS-YRXWBPOGSA-N 1 3 335.536 3.041 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110693613 1367932118 /nfs/dbraw/zinc/93/21/18/1367932118.db2.gz OYDWEZFFMZAJLS-YRXWBPOGSA-N 1 3 335.536 3.041 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266242 1368219624 /nfs/dbraw/zinc/21/96/24/1368219624.db2.gz MULWSJOLNNPMHY-OALUTQOASA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266242 1368219627 /nfs/dbraw/zinc/21/96/27/1368219627.db2.gz MULWSJOLNNPMHY-OALUTQOASA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353635 1368784900 /nfs/dbraw/zinc/78/49/00/1368784900.db2.gz SLZUTNDWWXXYGR-ZVDOUQERSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526338 1369799996 /nfs/dbraw/zinc/79/99/96/1369799996.db2.gz FCWYVERFYUJPAK-UHFFFAOYSA-N 1 3 337.552 3.269 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105354 1369984758 /nfs/dbraw/zinc/98/47/58/1369984758.db2.gz XHDHEBYLLQNJTJ-MSOLQXFVSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921055 1370150237 /nfs/dbraw/zinc/15/02/37/1370150237.db2.gz GBFJYJUNULGCGO-WCIQWLHISA-N 1 3 347.547 3.042 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921055 1370150239 /nfs/dbraw/zinc/15/02/39/1370150239.db2.gz GBFJYJUNULGCGO-WCIQWLHISA-N 1 3 347.547 3.042 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791974 1370267095 /nfs/dbraw/zinc/26/70/95/1370267095.db2.gz MMKGHIYWLPIWFW-ROUUACIJSA-N 1 3 335.536 3.090 20 30 EGEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208247 1371505338 /nfs/dbraw/zinc/50/53/38/1371505338.db2.gz XDWVSOXATXAPQW-IBGZPJMESA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC001121103542 1371855076 /nfs/dbraw/zinc/85/50/76/1371855076.db2.gz XQFJOEHDMXKQSD-SSBRDVDXSA-N 1 3 347.547 3.231 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661738 1372164257 /nfs/dbraw/zinc/16/42/57/1372164257.db2.gz ZOBHUFLMFSQLII-SFHVURJKSA-N 1 3 337.552 3.269 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661209 1372164441 /nfs/dbraw/zinc/16/44/41/1372164441.db2.gz VDVQJEPHAPNIFW-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106838 1372175846 /nfs/dbraw/zinc/17/58/46/1372175846.db2.gz RNLYUPOBAHJCDU-UHFFFAOYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233614 1373695649 /nfs/dbraw/zinc/69/56/49/1373695649.db2.gz SMAKMDBSQAWDGM-LPHOPBHVSA-N 1 3 344.503 3.016 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185852 1375829604 /nfs/dbraw/zinc/82/96/04/1375829604.db2.gz JZNHTQSBPWBXFD-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001230591844 1376090810 /nfs/dbraw/zinc/09/08/10/1376090810.db2.gz LKIBSRINCADCBG-WOJBJXKFSA-N 1 3 349.563 3.242 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001230591844 1376090814 /nfs/dbraw/zinc/09/08/14/1376090814.db2.gz LKIBSRINCADCBG-WOJBJXKFSA-N 1 3 349.563 3.242 20 30 EGEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235588534 1376877000 /nfs/dbraw/zinc/87/70/00/1376877000.db2.gz KYTRKNDBYDUVDZ-MSOLQXFVSA-N 1 3 325.541 3.076 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001158282919 1381183864 /nfs/dbraw/zinc/18/38/64/1381183864.db2.gz FCEIBYXBPFDYHD-LJQANCHMSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001158282919 1381183865 /nfs/dbraw/zinc/18/38/65/1381183865.db2.gz FCEIBYXBPFDYHD-LJQANCHMSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158922909 1381466081 /nfs/dbraw/zinc/46/60/81/1381466081.db2.gz MNPLGZHEOAJSJL-LJQANCHMSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158922909 1381466092 /nfs/dbraw/zinc/46/60/92/1381466092.db2.gz MNPLGZHEOAJSJL-LJQANCHMSA-N 1 3 337.552 3.386 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770391 1384383191 /nfs/dbraw/zinc/38/31/91/1384383191.db2.gz VQGLPIZIYLUGED-INIZCTEOSA-N 1 3 343.943 3.268 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001177485011 1385974643 /nfs/dbraw/zinc/97/46/43/1385974643.db2.gz OOCHPFUWMKOJQM-KDURUIRLSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850410 1386607502 /nfs/dbraw/zinc/60/75/02/1386607502.db2.gz DGLXWSYUJRQJRK-UHFFFAOYSA-N 1 3 325.541 3.341 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637985 1387199437 /nfs/dbraw/zinc/19/94/37/1387199437.db2.gz UUQKHGZJUMHIMM-WSTZPKSXSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835101 1440227164 /nfs/dbraw/zinc/22/71/64/1440227164.db2.gz BETFXRHMQGFDHE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835101 1440227165 /nfs/dbraw/zinc/22/71/65/1440227165.db2.gz BETFXRHMQGFDHE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752969495 1440254642 /nfs/dbraw/zinc/25/46/42/1440254642.db2.gz SASJCFHKIOMLSI-MSOLQXFVSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001753427317 1440397471 /nfs/dbraw/zinc/39/74/71/1440397471.db2.gz HIYHSFSGMRBTDN-UXPWSPDFSA-N 1 3 341.499 3.002 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001753427317 1440397472 /nfs/dbraw/zinc/39/74/72/1440397472.db2.gz HIYHSFSGMRBTDN-UXPWSPDFSA-N 1 3 341.499 3.002 20 30 EGEDHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001753674463 1440462998 /nfs/dbraw/zinc/46/29/98/1440462998.db2.gz SZYSJXBCPQNNSD-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001753748709 1440481948 /nfs/dbraw/zinc/48/19/48/1440481948.db2.gz UGNNDIKRAOUBGB-UYAOXDASSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754557363 1440632298 /nfs/dbraw/zinc/63/22/98/1440632298.db2.gz GREFWXCQFRUCRI-NRFANRHFSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754557363 1440632299 /nfs/dbraw/zinc/63/22/99/1440632299.db2.gz GREFWXCQFRUCRI-NRFANRHFSA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001755031256 1440731500 /nfs/dbraw/zinc/73/15/00/1440731500.db2.gz OBOCTEOXPYGRGR-QGZVFWFLSA-N 1 3 334.508 3.202 20 30 EGEDHO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001755031256 1440731501 /nfs/dbraw/zinc/73/15/01/1440731501.db2.gz OBOCTEOXPYGRGR-QGZVFWFLSA-N 1 3 334.508 3.202 20 30 EGEDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000422992837 268077395 /nfs/dbraw/zinc/07/73/95/268077395.db2.gz QOIRGYAPVLEQOO-AWEZNQCLSA-N 1 3 340.496 3.304 20 30 EGEDHO C[N@H+](CCCSCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092821692 454642160 /nfs/dbraw/zinc/64/21/60/454642160.db2.gz AGHIPYOMIATLIX-UHFFFAOYSA-N 1 3 332.517 3.267 20 30 EGEDHO C[N@@H+](CCCSCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092821692 454642165 /nfs/dbraw/zinc/64/21/65/454642165.db2.gz AGHIPYOMIATLIX-UHFFFAOYSA-N 1 3 332.517 3.267 20 30 EGEDHO C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185665420 455592686 /nfs/dbraw/zinc/59/26/86/455592686.db2.gz OYJOPXZMRUSGNP-FUHWJXTLSA-N 1 3 327.472 3.180 20 30 EGEDHO C[C@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185723548 455605894 /nfs/dbraw/zinc/60/58/94/455605894.db2.gz GTVQGYJATZHZBU-WMZOPIPTSA-N 1 3 327.472 3.180 20 30 EGEDHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000278639281 455843041 /nfs/dbraw/zinc/84/30/41/455843041.db2.gz HKEJBUCRVTYPBO-VXKWHMMOSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000278639281 455843044 /nfs/dbraw/zinc/84/30/44/455843044.db2.gz HKEJBUCRVTYPBO-VXKWHMMOSA-N 1 3 349.478 3.366 20 30 EGEDHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000290191999 456263409 /nfs/dbraw/zinc/26/34/09/456263409.db2.gz OIMIMJUPSFCZGE-GOSISDBHSA-N 1 3 342.531 3.233 20 30 EGEDHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000290191999 456263413 /nfs/dbraw/zinc/26/34/13/456263413.db2.gz OIMIMJUPSFCZGE-GOSISDBHSA-N 1 3 342.531 3.233 20 30 EGEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314113 457807543 /nfs/dbraw/zinc/80/75/43/457807543.db2.gz YFNBIZLYAXEMHI-IEBWSBKVSA-N 1 3 341.499 3.386 20 30 EGEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433314113 457807548 /nfs/dbraw/zinc/80/75/48/457807548.db2.gz YFNBIZLYAXEMHI-IEBWSBKVSA-N 1 3 341.499 3.386 20 30 EGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414319764 458317573 /nfs/dbraw/zinc/31/75/73/458317573.db2.gz ALRZXLYFLYITDT-DLBZAZTESA-N 1 3 343.515 3.074 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1C#N ZINC000481190698 459239223 /nfs/dbraw/zinc/23/92/23/459239223.db2.gz LQTLLOJKPJMZEX-NQIIRXRSSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1C#N ZINC000481190698 459239230 /nfs/dbraw/zinc/23/92/30/459239230.db2.gz LQTLLOJKPJMZEX-NQIIRXRSSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN(C)C ZINC000491591331 459638974 /nfs/dbraw/zinc/63/89/74/459638974.db2.gz JWRUKQWIXRGMSX-QGZVFWFLSA-N 1 3 337.467 3.425 20 30 EGEDHO Cc1nccc(NC2CCN(Cc3cccc(C#N)c3)CC2)c1Cl ZINC000593515948 459912874 /nfs/dbraw/zinc/91/28/74/459912874.db2.gz UHWDSKIASFQABQ-UHFFFAOYSA-N 1 3 340.858 3.414 20 30 EGEDHO Cc1nccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1Cl ZINC000593515948 459912882 /nfs/dbraw/zinc/91/28/82/459912882.db2.gz UHWDSKIASFQABQ-UHFFFAOYSA-N 1 3 340.858 3.414 20 30 EGEDHO CN(C)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCCCC1 ZINC000262428399 1296631136 /nfs/dbraw/zinc/63/11/36/1296631136.db2.gz BILUWVLLNNBKQA-QGZVFWFLSA-N 1 3 344.503 3.069 20 30 EGEDHO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402403811 1297744938 /nfs/dbraw/zinc/74/49/38/1297744938.db2.gz RYUJVUUWTORFOT-RBBKRZOGSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402403811 1297744944 /nfs/dbraw/zinc/74/49/44/1297744944.db2.gz RYUJVUUWTORFOT-RBBKRZOGSA-N 1 3 349.478 3.046 20 30 EGEDHO CCN(CC)c1ccc(/C=[NH+]/CC2(SC)CC[NH+](C)CC2)c([O-])c1 ZINC000811625597 1318215542 /nfs/dbraw/zinc/21/55/42/1318215542.db2.gz QMXCOQWVSSASOU-XSFVSMFZSA-N 1 3 349.544 3.485 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001037848174 1344135657 /nfs/dbraw/zinc/13/56/57/1344135657.db2.gz BBZAOCARBSTXNN-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382564 1360384196 /nfs/dbraw/zinc/38/41/96/1360384196.db2.gz UDKIDRLUDYYDGA-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382564 1360384200 /nfs/dbraw/zinc/38/42/00/1360384200.db2.gz UDKIDRLUDYYDGA-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536688 1360496072 /nfs/dbraw/zinc/49/60/72/1360496072.db2.gz FJGXVENMXIMNGP-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC(C)(C)C1 ZINC001089536688 1360496073 /nfs/dbraw/zinc/49/60/73/1360496073.db2.gz FJGXVENMXIMNGP-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638981 1360552715 /nfs/dbraw/zinc/55/27/15/1360552715.db2.gz KUZSVQCVKTXKGH-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638981 1360552716 /nfs/dbraw/zinc/55/27/16/1360552716.db2.gz KUZSVQCVKTXKGH-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001089648697 1360562125 /nfs/dbraw/zinc/56/21/25/1360562125.db2.gz PSVYOKWDPQJSTA-INIZCTEOSA-N 1 3 349.544 3.216 20 30 EGEDHO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001089648697 1360562126 /nfs/dbraw/zinc/56/21/26/1360562126.db2.gz PSVYOKWDPQJSTA-INIZCTEOSA-N 1 3 349.544 3.216 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225370 1363701104 /nfs/dbraw/zinc/70/11/04/1363701104.db2.gz SDWATTHTWQPCPH-QZTJIDSGSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225370 1363701107 /nfs/dbraw/zinc/70/11/07/1363701107.db2.gz SDWATTHTWQPCPH-QZTJIDSGSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099252670 1363715153 /nfs/dbraw/zinc/71/51/53/1363715153.db2.gz YZGNSAGZNKXQGE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099252670 1363715155 /nfs/dbraw/zinc/71/51/55/1363715155.db2.gz YZGNSAGZNKXQGE-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335214 1364082957 /nfs/dbraw/zinc/08/29/57/1364082957.db2.gz OTSJQTZBHRHGGX-WWDZGPRUSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100764862 1364251862 /nfs/dbraw/zinc/25/18/62/1364251862.db2.gz JAOIBNWOWINULQ-LMDPOFIKSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001101575077 1364629032 /nfs/dbraw/zinc/62/90/32/1364629032.db2.gz RUZILZQHKGHJLV-SFHVURJKSA-N 1 3 349.563 3.149 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071519 1364836588 /nfs/dbraw/zinc/83/65/88/1364836588.db2.gz NQTVYFQMRJSITL-QRVBRYPASA-N 1 3 339.568 3.227 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071519 1364836592 /nfs/dbraw/zinc/83/65/92/1364836592.db2.gz NQTVYFQMRJSITL-QRVBRYPASA-N 1 3 339.568 3.227 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563195 1366532689 /nfs/dbraw/zinc/53/26/89/1366532689.db2.gz GKUMPVYTVGDVIB-RBUKOAKNSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105564060 1366533476 /nfs/dbraw/zinc/53/34/76/1366533476.db2.gz VSGRBEXPDVWAEO-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450130 1366968261 /nfs/dbraw/zinc/96/82/61/1366968261.db2.gz DQEAXQPFBBXJDU-SFHLNBCPSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450130 1366968265 /nfs/dbraw/zinc/96/82/65/1366968265.db2.gz DQEAXQPFBBXJDU-SFHLNBCPSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785498 1367595445 /nfs/dbraw/zinc/59/54/45/1367595445.db2.gz GYGVPGDBRVWXHF-FHWLQOOXSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001110660392 1367902824 /nfs/dbraw/zinc/90/28/24/1367902824.db2.gz CMLHJRJBFXLXMV-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001110660392 1367902830 /nfs/dbraw/zinc/90/28/30/1367902830.db2.gz CMLHJRJBFXLXMV-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001197331858 1368789963 /nfs/dbraw/zinc/78/99/63/1368789963.db2.gz PARICMAIFWRLMN-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001197331858 1368789966 /nfs/dbraw/zinc/78/99/66/1368789966.db2.gz PARICMAIFWRLMN-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186605999 1387984916 /nfs/dbraw/zinc/98/49/16/1387984916.db2.gz YOIUUWLFFJOLCE-IBGZPJMESA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186605999 1387984918 /nfs/dbraw/zinc/98/49/18/1387984918.db2.gz YOIUUWLFFJOLCE-IBGZPJMESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030209 1369960902 /nfs/dbraw/zinc/96/09/02/1369960902.db2.gz XJKAMEMIFBXNLE-MSOLQXFVSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206273905 1371009778 /nfs/dbraw/zinc/00/97/78/1371009778.db2.gz CZPFNYMBINOTHD-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2CCCC)CCCCC1 ZINC001119990089 1371444708 /nfs/dbraw/zinc/44/47/08/1371444708.db2.gz UFZDOKBNYUSNBJ-IBGZPJMESA-N 1 3 347.547 3.073 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121773403 1372077413 /nfs/dbraw/zinc/07/74/13/1372077413.db2.gz RRIFVZAOGOGGPK-GGQJKKPXSA-N 1 3 349.563 3.316 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215773967 1373236587 /nfs/dbraw/zinc/23/65/87/1373236587.db2.gz FYQALFRUGMJKHS-VAMGGRTRSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887218 1375625912 /nfs/dbraw/zinc/62/59/12/1375625912.db2.gz CVIAZLXYOMCIJR-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286862 1375984852 /nfs/dbraw/zinc/98/48/52/1375984852.db2.gz UPYWTVIUAARCPC-AQNXPRMDSA-N 1 3 349.563 3.480 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334426 1376001213 /nfs/dbraw/zinc/00/12/13/1376001213.db2.gz WFSZAVZXWKKOCF-HDICACEKSA-N 1 3 337.552 3.410 20 30 EGEDHO N#CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001137120645 1377481626 /nfs/dbraw/zinc/48/16/26/1377481626.db2.gz YTLBJHZYNCWVDE-NHCUHLMSSA-N 1 3 347.462 3.153 20 30 EGEDHO CSc1nc(CN(C)CC2CC[NH+](C(C)C)CC2)ccc1C#N ZINC001141939999 1378396703 /nfs/dbraw/zinc/39/67/03/1378396703.db2.gz YVGMTKRDTBOBSF-UHFFFAOYSA-N 1 3 332.517 3.227 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCCC)CC1 ZINC001146612587 1378878161 /nfs/dbraw/zinc/87/81/61/1378878161.db2.gz QHWFQMWJMRNJNL-OALUTQOASA-N 1 3 349.563 3.175 20 30 EGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157137826 1380784429 /nfs/dbraw/zinc/78/44/29/1380784429.db2.gz DSGITIBZNDWGLJ-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CN(C)C ZINC001157137826 1380784432 /nfs/dbraw/zinc/78/44/32/1380784432.db2.gz DSGITIBZNDWGLJ-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534490 1381285133 /nfs/dbraw/zinc/28/51/33/1381285133.db2.gz WTFOPPKDXXGIEN-GOSISDBHSA-N 1 3 332.492 3.012 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534490 1381285139 /nfs/dbraw/zinc/28/51/39/1381285139.db2.gz WTFOPPKDXXGIEN-GOSISDBHSA-N 1 3 332.492 3.012 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167223878 1383570178 /nfs/dbraw/zinc/57/01/78/1383570178.db2.gz CRKMUMVPVBRWOK-SFHVURJKSA-N 1 3 337.552 3.317 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168320584 1383872778 /nfs/dbraw/zinc/87/27/78/1383872778.db2.gz DTVWKMCIYQZXCX-UHFFFAOYSA-N 1 3 343.515 3.204 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271401 1385236252 /nfs/dbraw/zinc/23/62/52/1385236252.db2.gz BBENBLFOUOSBAW-ZWKOTPCHSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001754731726 1440679647 /nfs/dbraw/zinc/67/96/47/1440679647.db2.gz XFLRIEDCNJLKNS-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001754731726 1440679648 /nfs/dbraw/zinc/67/96/48/1440679648.db2.gz XFLRIEDCNJLKNS-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001755079210 1440750283 /nfs/dbraw/zinc/75/02/83/1440750283.db2.gz YWBLIZNZOZEPHV-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001755079210 1440750284 /nfs/dbraw/zinc/75/02/84/1440750284.db2.gz YWBLIZNZOZEPHV-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139294 1440759478 /nfs/dbraw/zinc/75/94/78/1440759478.db2.gz VKCKNBMJHWIFBK-IAGOWNOFSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139294 1440759479 /nfs/dbraw/zinc/75/94/79/1440759479.db2.gz VKCKNBMJHWIFBK-IAGOWNOFSA-N 1 3 335.536 3.042 20 30 EGEDHO CCN1CCN(c2ccccc2C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000341460992 155305418 /nfs/dbraw/zinc/30/54/18/155305418.db2.gz NHRPNPVPKAZFFK-UHFFFAOYSA-N 1 3 348.494 3.032 20 30 EGEDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000567315823 316598481 /nfs/dbraw/zinc/59/84/81/316598481.db2.gz FKGFXNAIOQCGTN-QFIPXVFZSA-N 1 3 349.478 3.318 20 30 EGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028758 454264521 /nfs/dbraw/zinc/26/45/21/454264521.db2.gz ODCJFKYWDRHJJJ-QZTJIDSGSA-N 1 3 343.515 3.203 20 30 EGEDHO C#CCOc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000180274439 455154253 /nfs/dbraw/zinc/15/42/53/455154253.db2.gz WPYWMHGAOBKNIQ-UHFFFAOYSA-N 1 3 335.451 3.100 20 30 EGEDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(C#N)c1 ZINC000181541593 455351953 /nfs/dbraw/zinc/35/19/53/455351953.db2.gz RCXCAWYWYNNOQS-SFHVURJKSA-N 1 3 348.494 3.156 20 30 EGEDHO CC(C)[NH+]1CCC(N2CCN(CCCCC(C)(C)C#N)CC2)CC1 ZINC000336878808 456314866 /nfs/dbraw/zinc/31/48/66/456314866.db2.gz IVFRBHNRVWNISI-UHFFFAOYSA-N 1 3 334.552 3.197 20 30 EGEDHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000343544216 456697096 /nfs/dbraw/zinc/69/70/96/456697096.db2.gz XMOPJXKGGYVVNA-QZTJIDSGSA-N 1 3 341.499 3.074 20 30 EGEDHO C[N@@H+](Cc1ccc(CC#N)cc1)CC1CCN(c2ccncc2)CC1 ZINC000343746902 456771474 /nfs/dbraw/zinc/77/14/74/456771474.db2.gz YAKVFHWDXCJEGZ-UHFFFAOYSA-N 1 3 334.467 3.496 20 30 EGEDHO C[N@H+](Cc1ccc(CC#N)cc1)CC1CCN(c2ccncc2)CC1 ZINC000343746902 456771477 /nfs/dbraw/zinc/77/14/77/456771477.db2.gz YAKVFHWDXCJEGZ-UHFFFAOYSA-N 1 3 334.467 3.496 20 30 EGEDHO CC[N@H+](CCC1CCN(Cc2cc(C#N)n(C)c2)CC1)CC(C)C ZINC000349404609 456963542 /nfs/dbraw/zinc/96/35/42/456963542.db2.gz FQDFGMVCLKWQTB-UHFFFAOYSA-N 1 3 330.520 3.477 20 30 EGEDHO CC[N@@H+](CCC1CCN(Cc2cc(C#N)n(C)c2)CC1)CC(C)C ZINC000349404609 456963544 /nfs/dbraw/zinc/96/35/44/456963544.db2.gz FQDFGMVCLKWQTB-UHFFFAOYSA-N 1 3 330.520 3.477 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982461 458405749 /nfs/dbraw/zinc/40/57/49/458405749.db2.gz OTRANRZRSXKQTO-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO CCN1CCC([N@H+]2CCCN([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982461 458405753 /nfs/dbraw/zinc/40/57/53/458405753.db2.gz OTRANRZRSXKQTO-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982461 458405758 /nfs/dbraw/zinc/40/57/58/458405758.db2.gz OTRANRZRSXKQTO-GOSISDBHSA-N 1 3 340.515 3.111 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000442721771 459027253 /nfs/dbraw/zinc/02/72/53/459027253.db2.gz ULRDJKCKMALDKL-PMACEKPBSA-N 1 3 340.515 3.179 20 30 EGEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713307 460003974 /nfs/dbraw/zinc/00/39/74/460003974.db2.gz ANYYKEHIRNCMSD-PXNSSMCTSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713307 460003982 /nfs/dbraw/zinc/00/39/82/460003982.db2.gz ANYYKEHIRNCMSD-PXNSSMCTSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815548 460983936 /nfs/dbraw/zinc/98/39/36/460983936.db2.gz WVWSFYBHJBYPMZ-OXJNMPFZSA-N 1 3 327.472 3.026 20 30 EGEDHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815548 460983944 /nfs/dbraw/zinc/98/39/44/460983944.db2.gz WVWSFYBHJBYPMZ-OXJNMPFZSA-N 1 3 327.472 3.026 20 30 EGEDHO C=CC[C@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000662721649 461357043 /nfs/dbraw/zinc/35/70/43/461357043.db2.gz SPYJQXHCFXTLHU-DYESRHJHSA-N 1 3 341.499 3.027 20 30 EGEDHO C=CCCC[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654984352 462440445 /nfs/dbraw/zinc/44/04/45/462440445.db2.gz AWHNLVJQOUKPEG-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000089631908 1292773494 /nfs/dbraw/zinc/77/34/94/1292773494.db2.gz NLWPISZNHDVSAF-JQHSSLGASA-N 1 3 345.487 3.196 20 30 EGEDHO C=CCc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000164532648 1294350528 /nfs/dbraw/zinc/35/05/28/1294350528.db2.gz GYXJSECJEFNLHI-SJLPKXTDSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000164532648 1294350534 /nfs/dbraw/zinc/35/05/34/1294350534.db2.gz GYXJSECJEFNLHI-SJLPKXTDSA-N 1 3 330.472 3.045 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961380099 1319538039 /nfs/dbraw/zinc/53/80/39/1319538039.db2.gz YWWFANNTYWZSSM-WOJBJXKFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961380099 1319538044 /nfs/dbraw/zinc/53/80/44/1319538044.db2.gz YWWFANNTYWZSSM-WOJBJXKFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819025075 1319618122 /nfs/dbraw/zinc/61/81/22/1319618122.db2.gz XNJDIEPGKLHYJF-QGZVFWFLSA-N 1 3 342.405 3.369 20 30 EGEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001026571657 1324904682 /nfs/dbraw/zinc/90/46/82/1324904682.db2.gz GOPCDJLMSIZHAU-JCYILVPMSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001026590917 1324916876 /nfs/dbraw/zinc/91/68/76/1324916876.db2.gz LJHVHWBQSGYYBM-CTWPCTMYSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001034749081 1342736588 /nfs/dbraw/zinc/73/65/88/1342736588.db2.gz GOPCDJLMSIZHAU-ULQDDVLXSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037980903 1344218111 /nfs/dbraw/zinc/21/81/11/1344218111.db2.gz BGMSMELPHCNZOU-QUCCMNQESA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040704039 1345567563 /nfs/dbraw/zinc/56/75/63/1345567563.db2.gz SUCUHQQRHLCPHZ-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572202 1347599099 /nfs/dbraw/zinc/59/90/99/1347599099.db2.gz BVOHMTAVXHRWCI-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572202 1347599100 /nfs/dbraw/zinc/59/91/00/1347599100.db2.gz BVOHMTAVXHRWCI-IYWMVGAKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052860014 1348706058 /nfs/dbraw/zinc/70/60/58/1348706058.db2.gz PIAADVLFIPATIH-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052860014 1348706059 /nfs/dbraw/zinc/70/60/59/1348706059.db2.gz PIAADVLFIPATIH-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264965 1349262952 /nfs/dbraw/zinc/26/29/52/1349262952.db2.gz XQAAPDGTTGFYHI-HXUWFJFHSA-N 1 3 341.499 3.067 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264965 1349262955 /nfs/dbraw/zinc/26/29/55/1349262955.db2.gz XQAAPDGTTGFYHI-HXUWFJFHSA-N 1 3 341.499 3.067 20 30 EGEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458317 1356390239 /nfs/dbraw/zinc/39/02/39/1356390239.db2.gz BYRYJUKXOPQADY-AZUAARDMSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458317 1356390242 /nfs/dbraw/zinc/39/02/42/1356390242.db2.gz BYRYJUKXOPQADY-AZUAARDMSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516852 1387316128 /nfs/dbraw/zinc/31/61/28/1387316128.db2.gz BHNXZILRJMRCLK-UYAOXDASSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597744 1358624378 /nfs/dbraw/zinc/62/43/78/1358624378.db2.gz FHUKWJDGZKTZEQ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597744 1358624381 /nfs/dbraw/zinc/62/43/81/1358624381.db2.gz FHUKWJDGZKTZEQ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602418 1359551266 /nfs/dbraw/zinc/55/12/66/1359551266.db2.gz OQCRVKUAHXFPPN-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602418 1359551269 /nfs/dbraw/zinc/55/12/69/1359551269.db2.gz OQCRVKUAHXFPPN-XUVXKRRUSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792158 1359648286 /nfs/dbraw/zinc/64/82/86/1359648286.db2.gz PSTXSEQTPXWPHQ-OTWHNJEPSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792158 1359648291 /nfs/dbraw/zinc/64/82/91/1359648291.db2.gz PSTXSEQTPXWPHQ-OTWHNJEPSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511279 1360482532 /nfs/dbraw/zinc/48/25/32/1360482532.db2.gz PNFDMMRDLIQGGI-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511279 1360482534 /nfs/dbraw/zinc/48/25/34/1360482534.db2.gz PNFDMMRDLIQGGI-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165661 1363666301 /nfs/dbraw/zinc/66/63/01/1363666301.db2.gz OWNHVCWFGIDLFI-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225406 1363701169 /nfs/dbraw/zinc/70/11/69/1363701169.db2.gz UHLYWYOLFXIVNQ-QZTJIDSGSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225406 1363701170 /nfs/dbraw/zinc/70/11/70/1363701170.db2.gz UHLYWYOLFXIVNQ-QZTJIDSGSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001099228921 1363701871 /nfs/dbraw/zinc/70/18/71/1363701871.db2.gz CZKAITHZDYTDFL-ROUUACIJSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001099228921 1363701873 /nfs/dbraw/zinc/70/18/73/1363701873.db2.gz CZKAITHZDYTDFL-ROUUACIJSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001101027429 1364380783 /nfs/dbraw/zinc/38/07/83/1364380783.db2.gz GSPZLUQEBHJBAA-LRYGQEGESA-N 1 3 343.515 3.201 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001185315948 1387680501 /nfs/dbraw/zinc/68/05/01/1387680501.db2.gz ALRHYMIHQNPOTD-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@]2(C)C1 ZINC001101395700 1364544154 /nfs/dbraw/zinc/54/41/54/1364544154.db2.gz JQJVEQQAJJDPGR-CTNGQTDRSA-N 1 3 349.563 3.245 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@]2(C)C1 ZINC001101395700 1364544158 /nfs/dbraw/zinc/54/41/58/1364544158.db2.gz JQJVEQQAJJDPGR-CTNGQTDRSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001101597737 1364648891 /nfs/dbraw/zinc/64/88/91/1364648891.db2.gz ZMXWDWRBLQYDQO-LJQANCHMSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103678261 1365723419 /nfs/dbraw/zinc/72/34/19/1365723419.db2.gz JDOPMZPNYZSYOT-SJLPKXTDSA-N 1 3 348.535 3.305 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103678261 1365723423 /nfs/dbraw/zinc/72/34/23/1365723423.db2.gz JDOPMZPNYZSYOT-SJLPKXTDSA-N 1 3 348.535 3.305 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185750684 1387789719 /nfs/dbraw/zinc/78/97/19/1387789719.db2.gz LUGZHUZMYOITKZ-RTBURBONSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104803200 1366179598 /nfs/dbraw/zinc/17/95/98/1366179598.db2.gz QLNGTWQKNBOMSO-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905300 1367901747 /nfs/dbraw/zinc/90/17/47/1367901747.db2.gz DOFMUGXFPLCILA-OALUTQOASA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905300 1367901749 /nfs/dbraw/zinc/90/17/49/1367901749.db2.gz DOFMUGXFPLCILA-OALUTQOASA-N 1 3 337.552 3.386 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354417 1368786372 /nfs/dbraw/zinc/78/63/72/1368786372.db2.gz IFQCEOFJPBMFSS-RXVVDRJESA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCC[C@@H](C)N1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528976 1369480070 /nfs/dbraw/zinc/48/00/70/1369480070.db2.gz YPSHUKHSGOPUTM-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507591 1370148716 /nfs/dbraw/zinc/14/87/16/1370148716.db2.gz TXGSYYHSSLVGAL-RTBURBONSA-N 1 3 349.563 3.482 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660288 1370206622 /nfs/dbraw/zinc/20/66/22/1370206622.db2.gz PADXCRDKKALVQN-MSOLQXFVSA-N 1 3 346.519 3.248 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726343 1370707368 /nfs/dbraw/zinc/70/73/68/1370707368.db2.gz AFCYJGPUSVKDHA-INIZCTEOSA-N 1 3 343.943 3.268 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208114610 1371600061 /nfs/dbraw/zinc/60/00/61/1371600061.db2.gz QJVIYMOYADDWLO-MISYRCLQSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208114610 1371600065 /nfs/dbraw/zinc/60/00/65/1371600065.db2.gz QJVIYMOYADDWLO-MISYRCLQSA-N 1 3 349.563 3.268 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCC2S1 ZINC001208584438 1371828012 /nfs/dbraw/zinc/82/80/12/1371828012.db2.gz FTAJAXXPVISWGD-RTBURBONSA-N 1 3 342.508 3.315 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)CCC2S1 ZINC001208584438 1371828021 /nfs/dbraw/zinc/82/80/21/1371828021.db2.gz FTAJAXXPVISWGD-RTBURBONSA-N 1 3 342.508 3.315 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121289600 1371923332 /nfs/dbraw/zinc/92/33/32/1371923332.db2.gz ZEJAASBDXFNBNS-QAELIBMJSA-N 1 3 337.552 3.314 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121325642 1371937421 /nfs/dbraw/zinc/93/74/21/1371937421.db2.gz KCWNMVHLBGXFSX-UHFFFAOYSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121727457 1372060603 /nfs/dbraw/zinc/06/06/03/1372060603.db2.gz DTCPKGUOKMHDMC-MBEFBZSESA-N 1 3 349.563 3.336 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919356 1372122728 /nfs/dbraw/zinc/12/27/28/1372122728.db2.gz CKMRTPLIHYQGRZ-IHPCNDPISA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919356 1372122732 /nfs/dbraw/zinc/12/27/32/1372122732.db2.gz CKMRTPLIHYQGRZ-IHPCNDPISA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919365 1372123189 /nfs/dbraw/zinc/12/31/89/1372123189.db2.gz CKMRTPLIHYQGRZ-SXLOBPIMSA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919365 1372123195 /nfs/dbraw/zinc/12/31/95/1372123195.db2.gz CKMRTPLIHYQGRZ-SXLOBPIMSA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001121978395 1372142422 /nfs/dbraw/zinc/14/24/22/1372142422.db2.gz NPXNKUOUXONVLY-HOJAQTOUSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978395 1372142424 /nfs/dbraw/zinc/14/24/24/1372142424.db2.gz NPXNKUOUXONVLY-HOJAQTOUSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211248128 1372511985 /nfs/dbraw/zinc/51/19/85/1372511985.db2.gz DOQAIZRJAYUKJW-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611157 1373089660 /nfs/dbraw/zinc/08/96/60/1373089660.db2.gz RLIXBUPJSAJRSU-GUDVDZBRSA-N 1 3 337.552 3.266 20 30 EGEDHO C=CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001132513251 1375434049 /nfs/dbraw/zinc/43/40/49/1375434049.db2.gz QNFBNDQQVZOZJB-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001132513251 1375434053 /nfs/dbraw/zinc/43/40/53/1375434053.db2.gz QNFBNDQQVZOZJB-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341145 1375931460 /nfs/dbraw/zinc/93/14/60/1375931460.db2.gz BAADBOYHBVRCNI-HKUYNNGSSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583705 1376608513 /nfs/dbraw/zinc/60/85/13/1376608513.db2.gz NMDPCYWMESEQQO-IAGOWNOFSA-N 1 3 325.541 3.314 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691779 1377185520 /nfs/dbraw/zinc/18/55/20/1377185520.db2.gz ZNAOGJVMEGTHJS-HOTGVXAUSA-N 1 3 331.932 3.124 20 30 EGEDHO C[N@H+]1CC[C@H]2CN(Cc3ccc(Br)c(C#N)c3)C[C@H]2CC1 ZINC001275600665 1378145251 /nfs/dbraw/zinc/14/52/51/1378145251.db2.gz RSRIKUDSAKFSTO-GASCZTMLSA-N 1 3 348.288 3.094 20 30 EGEDHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Br)c(C#N)c3)C[C@H]2CC1 ZINC001275600665 1378145252 /nfs/dbraw/zinc/14/52/52/1378145252.db2.gz RSRIKUDSAKFSTO-GASCZTMLSA-N 1 3 348.288 3.094 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155238009 1380427909 /nfs/dbraw/zinc/42/79/09/1380427909.db2.gz UMDUKQYNQQTHEJ-QZTJIDSGSA-N 1 3 325.541 3.125 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155238009 1380427911 /nfs/dbraw/zinc/42/79/11/1380427911.db2.gz UMDUKQYNQQTHEJ-QZTJIDSGSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160131776 1382009708 /nfs/dbraw/zinc/00/97/08/1382009708.db2.gz VJVPTPRYGFEVRI-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160131776 1382009710 /nfs/dbraw/zinc/00/97/10/1382009710.db2.gz VJVPTPRYGFEVRI-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359797 1382081950 /nfs/dbraw/zinc/08/19/50/1382081950.db2.gz BCCQLGQWDVAJCZ-FQEVSTJZSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359797 1382081952 /nfs/dbraw/zinc/08/19/52/1382081952.db2.gz BCCQLGQWDVAJCZ-FQEVSTJZSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946876 1382566344 /nfs/dbraw/zinc/56/63/44/1382566344.db2.gz JQZLLFXFRKMLIX-UHFFFAOYSA-N 1 3 335.536 3.211 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946876 1382566351 /nfs/dbraw/zinc/56/63/51/1382566351.db2.gz JQZLLFXFRKMLIX-UHFFFAOYSA-N 1 3 335.536 3.211 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167635233 1383694246 /nfs/dbraw/zinc/69/42/46/1383694246.db2.gz LUMFOBCIAMOANK-SFHVURJKSA-N 1 3 325.541 3.316 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204152 1386731790 /nfs/dbraw/zinc/73/17/90/1386731790.db2.gz IYVYWVRTTNSIBZ-UWVAXJGDSA-N 1 3 343.515 3.296 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736339 1387048632 /nfs/dbraw/zinc/04/86/32/1387048632.db2.gz NJPBBUZWKLNGKQ-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001754342766 1440588624 /nfs/dbraw/zinc/58/86/24/1440588624.db2.gz YNEMKRLCPYLBMC-RTBURBONSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001754549135 1440629200 /nfs/dbraw/zinc/62/92/00/1440629200.db2.gz SMMKAIOTYYXCOU-UHFFFAOYSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001754549135 1440629201 /nfs/dbraw/zinc/62/92/01/1440629201.db2.gz SMMKAIOTYYXCOU-UHFFFAOYSA-N 1 3 349.563 3.243 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000274810016 201271675 /nfs/dbraw/zinc/27/16/75/201271675.db2.gz HOLDGLYGICWUBC-WTNAPCKOSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000274810016 201271678 /nfs/dbraw/zinc/27/16/78/201271678.db2.gz HOLDGLYGICWUBC-WTNAPCKOSA-N 1 3 349.478 3.092 20 30 EGEDHO CN(c1ccccc1CNCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000132935354 205347611 /nfs/dbraw/zinc/34/76/11/205347611.db2.gz LPVLBLJINFCXFN-UHFFFAOYSA-N 1 3 348.494 3.378 20 30 EGEDHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558887 252022436 /nfs/dbraw/zinc/02/24/36/252022436.db2.gz OPZTYVTWDNWBGQ-SFHVURJKSA-N 1 3 327.472 3.276 20 30 EGEDHO C[N@H+](CCOc1ccccc1C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383094551 324255337 /nfs/dbraw/zinc/25/53/37/324255337.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383094551 324255341 /nfs/dbraw/zinc/25/53/41/324255341.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 1 3 349.478 3.391 20 30 EGEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000064614598 454494004 /nfs/dbraw/zinc/49/40/04/454494004.db2.gz JMGMNSGHZDDMDZ-GOSISDBHSA-N 1 3 345.487 3.199 20 30 EGEDHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177502617 454871267 /nfs/dbraw/zinc/87/12/67/454871267.db2.gz VSMUXRBUAJRLKU-ROUUACIJSA-N 1 3 341.499 3.270 20 30 EGEDHO CCc1cccc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)c1 ZINC000179738110 455071628 /nfs/dbraw/zinc/07/16/28/455071628.db2.gz KPCQPIBLNDWALR-UHFFFAOYSA-N 1 3 337.471 3.287 20 30 EGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181616104 455362966 /nfs/dbraw/zinc/36/29/66/455362966.db2.gz ICVYFENZFSOZGS-KSZLIROESA-N 1 3 345.487 3.129 20 30 EGEDHO C[C@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185723518 455606665 /nfs/dbraw/zinc/60/66/65/455606665.db2.gz GTVQGYJATZHZBU-FUHWJXTLSA-N 1 3 327.472 3.180 20 30 EGEDHO N=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cc(F)ccc1F ZINC000288629679 456099888 /nfs/dbraw/zinc/09/98/88/456099888.db2.gz AUKLDBVXIQBZMO-UHFFFAOYSA-N 1 3 344.409 3.487 20 30 EGEDHO COc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1C#N ZINC000281579923 456269877 /nfs/dbraw/zinc/26/98/77/456269877.db2.gz DFIDUKSSTFMEQT-FQEVSTJZSA-N 1 3 349.478 3.221 20 30 EGEDHO C[C@H]1C[N@H+](CCCN[C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868676 457394099 /nfs/dbraw/zinc/39/40/99/457394099.db2.gz AFMKSWHIABQMRX-UWJYYQICSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868676 457394104 /nfs/dbraw/zinc/39/41/04/457394104.db2.gz AFMKSWHIABQMRX-UWJYYQICSA-N 1 3 341.499 3.416 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560546046 459371143 /nfs/dbraw/zinc/37/11/43/459371143.db2.gz SKBUTMHPGMPCKV-MYGLTJDJSA-N 1 3 342.527 3.451 20 30 EGEDHO N#Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000595905406 459481890 /nfs/dbraw/zinc/48/18/90/459481890.db2.gz NPAATMFNMSQUMN-UHFFFAOYSA-N 1 3 349.482 3.128 20 30 EGEDHO N#Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000595905406 459481895 /nfs/dbraw/zinc/48/18/95/459481895.db2.gz NPAATMFNMSQUMN-UHFFFAOYSA-N 1 3 349.482 3.128 20 30 EGEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000486789861 459519296 /nfs/dbraw/zinc/51/92/96/459519296.db2.gz DDZKHTIYFCTGTH-IBGZPJMESA-N 1 3 343.515 3.420 20 30 EGEDHO N#CC[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000597174282 459862482 /nfs/dbraw/zinc/86/24/82/459862482.db2.gz OPECJVFHNURYAF-GOSISDBHSA-N 1 3 327.472 3.287 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000598728747 460008294 /nfs/dbraw/zinc/00/82/94/460008294.db2.gz VFHYUIBCHAQFRT-VQTJNVASSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000598728747 460008300 /nfs/dbraw/zinc/00/83/00/460008300.db2.gz VFHYUIBCHAQFRT-VQTJNVASSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728747 460008305 /nfs/dbraw/zinc/00/83/05/460008305.db2.gz VFHYUIBCHAQFRT-VQTJNVASSA-N 1 3 343.515 3.179 20 30 EGEDHO CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000305034505 1296954006 /nfs/dbraw/zinc/95/40/06/1296954006.db2.gz SBJVFCXUMIXQHV-SJLPKXTDSA-N 1 3 346.519 3.061 20 30 EGEDHO C[C@]1(CNC[C@@H](O)c2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311840346 1297110757 /nfs/dbraw/zinc/11/07/57/1297110757.db2.gz UFHUUMGMUXKREG-FGZHOGPDSA-N 1 3 349.478 3.093 20 30 EGEDHO C[C@]1(CNC[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840346 1297110770 /nfs/dbraw/zinc/11/07/70/1297110770.db2.gz UFHUUMGMUXKREG-FGZHOGPDSA-N 1 3 349.478 3.093 20 30 EGEDHO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311739115 1297111405 /nfs/dbraw/zinc/11/14/05/1297111405.db2.gz AZYYRGUFAMMQDX-BULFRSBZSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311739115 1297111415 /nfs/dbraw/zinc/11/14/15/1297111415.db2.gz AZYYRGUFAMMQDX-BULFRSBZSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739115 1297111426 /nfs/dbraw/zinc/11/14/26/1297111426.db2.gz AZYYRGUFAMMQDX-BULFRSBZSA-N 1 3 349.478 3.092 20 30 EGEDHO Cc1ccccc1C[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763231614 1301852822 /nfs/dbraw/zinc/85/28/22/1301852822.db2.gz OLYUQQCOEMEADF-JOCHJYFZSA-N 1 3 349.478 3.154 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961401681 1319558632 /nfs/dbraw/zinc/55/86/32/1319558632.db2.gz NITRAVYPXFDCOL-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961401681 1319558642 /nfs/dbraw/zinc/55/86/42/1319558642.db2.gz NITRAVYPXFDCOL-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002614 1336115417 /nfs/dbraw/zinc/11/54/17/1336115417.db2.gz YQNPITSHMAOLAJ-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002614 1336115420 /nfs/dbraw/zinc/11/54/20/1336115420.db2.gz YQNPITSHMAOLAJ-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016924233 1338771725 /nfs/dbraw/zinc/77/17/25/1338771725.db2.gz SISRAOSYTBXJGQ-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049661 1358378008 /nfs/dbraw/zinc/37/80/08/1358378008.db2.gz QSXBDAWFNIJBIN-AABGKKOBSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049661 1358378013 /nfs/dbraw/zinc/37/80/13/1358378013.db2.gz QSXBDAWFNIJBIN-AABGKKOBSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528889 1361845915 /nfs/dbraw/zinc/84/59/15/1361845915.db2.gz AEMUQHNBLJYPDO-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528889 1361845920 /nfs/dbraw/zinc/84/59/20/1361845920.db2.gz AEMUQHNBLJYPDO-SFHLNBCPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168069 1387631687 /nfs/dbraw/zinc/63/16/87/1387631687.db2.gz GAAQDDDTUOXBIV-ZWKOTPCHSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099153924 1363660105 /nfs/dbraw/zinc/66/01/05/1363660105.db2.gz QDVJIAZCIJKHNI-GOSISDBHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185315949 1387680305 /nfs/dbraw/zinc/68/03/05/1387680305.db2.gz ALRHYMIHQNPOTD-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267845 1364492517 /nfs/dbraw/zinc/49/25/17/1364492517.db2.gz VBOLZZYTYHKOTQ-DYXWJJEUSA-N 1 3 349.563 3.077 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267845 1364492520 /nfs/dbraw/zinc/49/25/20/1364492520.db2.gz VBOLZZYTYHKOTQ-DYXWJJEUSA-N 1 3 349.563 3.077 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140070 1365403306 /nfs/dbraw/zinc/40/33/06/1365403306.db2.gz LSSZVEZTYVOFAU-GUDVDZBRSA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140070 1365403307 /nfs/dbraw/zinc/40/33/07/1365403307.db2.gz LSSZVEZTYVOFAU-GUDVDZBRSA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185546395 1387744315 /nfs/dbraw/zinc/74/43/15/1387744315.db2.gz BKYKWKNOHXPGIX-RBUKOAKNSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741356 1387787817 /nfs/dbraw/zinc/78/78/17/1387787817.db2.gz JWILPRWXVNEKSZ-XLIONFOSSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105058937 1366299332 /nfs/dbraw/zinc/29/93/32/1366299332.db2.gz FYTYUQUJPVBFEW-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566653 1366534898 /nfs/dbraw/zinc/53/48/98/1366534898.db2.gz RHYUSTCVSIFSRO-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802568 1367604758 /nfs/dbraw/zinc/60/47/58/1367604758.db2.gz GBDBDRTYVZJGSE-FHWLQOOXSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001196275727 1368581415 /nfs/dbraw/zinc/58/14/15/1368581415.db2.gz MTFYICXYGULGKW-VQTJNVASSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001196275727 1368581418 /nfs/dbraw/zinc/58/14/18/1368581418.db2.gz MTFYICXYGULGKW-VQTJNVASSA-N 1 3 347.547 3.284 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353349 1368784683 /nfs/dbraw/zinc/78/46/83/1368784683.db2.gz CWRSTJVNQZDVMT-ZJOUEHCJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112540277 1368920856 /nfs/dbraw/zinc/92/08/56/1368920856.db2.gz OGRTXWVAYUFPJG-DYXWJJEUSA-N 1 3 347.547 3.045 20 30 EGEDHO Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cc1 ZINC001203902682 1370307450 /nfs/dbraw/zinc/30/74/50/1370307450.db2.gz KBHBWLCARRHSCT-VXKWHMMOSA-N 1 3 331.463 3.431 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001115535471 1370531842 /nfs/dbraw/zinc/53/18/42/1370531842.db2.gz XIEYLBGYVIZPEI-GOSISDBHSA-N 1 3 335.536 3.234 20 30 EGEDHO C#CCCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209262874 1372053895 /nfs/dbraw/zinc/05/38/95/1372053895.db2.gz BGJKIXYCIZDHCM-QGZVFWFLSA-N 1 3 332.513 3.217 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857961 1388178521 /nfs/dbraw/zinc/17/85/21/1388178521.db2.gz WFSYRJPUDMNKFW-XUVXKRRUSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857961 1388178523 /nfs/dbraw/zinc/17/85/23/1388178523.db2.gz WFSYRJPUDMNKFW-XUVXKRRUSA-N 1 3 347.547 3.138 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122117672 1372179042 /nfs/dbraw/zinc/17/90/42/1372179042.db2.gz AUXQRJQLLMLXIS-UHFFFAOYSA-N 1 3 346.519 3.248 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256970 1372513423 /nfs/dbraw/zinc/51/34/23/1372513423.db2.gz NMBQNXOIUZLCPR-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233613 1373695358 /nfs/dbraw/zinc/69/53/58/1373695358.db2.gz SMAKMDBSQAWDGM-APWZRJJASA-N 1 3 344.503 3.016 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202182 1375205857 /nfs/dbraw/zinc/20/58/57/1375205857.db2.gz DLCPDWXMYJGNAD-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO Cc1cc(C#N)ccc1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279696964 1378318742 /nfs/dbraw/zinc/31/87/42/1378318742.db2.gz LZXFDZGERQMUOJ-RTWAWAEBSA-N 1 3 349.482 3.315 20 30 EGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086171 1380772242 /nfs/dbraw/zinc/77/22/42/1380772242.db2.gz GRKRCNHOJTZUDB-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086171 1380772247 /nfs/dbraw/zinc/77/22/47/1380772247.db2.gz GRKRCNHOJTZUDB-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161496866 1382423477 /nfs/dbraw/zinc/42/34/77/1382423477.db2.gz INTHNQUEPBYRDI-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161496866 1382423482 /nfs/dbraw/zinc/42/34/82/1382423482.db2.gz INTHNQUEPBYRDI-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161759044 1382497284 /nfs/dbraw/zinc/49/72/84/1382497284.db2.gz YWLZRCLJODUFBL-UHFFFAOYSA-N 1 3 337.552 3.437 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161759044 1382497290 /nfs/dbraw/zinc/49/72/90/1382497290.db2.gz YWLZRCLJODUFBL-UHFFFAOYSA-N 1 3 337.552 3.437 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784722 1382505697 /nfs/dbraw/zinc/50/56/97/1382505697.db2.gz IHKMPYZSDMZDAS-UHFFFAOYSA-N 1 3 344.503 3.145 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784722 1382505701 /nfs/dbraw/zinc/50/57/01/1382505701.db2.gz IHKMPYZSDMZDAS-UHFFFAOYSA-N 1 3 344.503 3.145 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177317046 1385911078 /nfs/dbraw/zinc/91/10/78/1385911078.db2.gz OAIDRFAAFCTVOQ-HXUWFJFHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)N(C)C ZINC001177348593 1385923145 /nfs/dbraw/zinc/92/31/45/1385923145.db2.gz KIAJXNRCUPZLFX-QGZVFWFLSA-N 1 3 343.943 3.078 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177408926 1385945880 /nfs/dbraw/zinc/94/58/80/1385945880.db2.gz LXUIJZOVWNGOBD-LJQANCHMSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)N(C)C ZINC001177415748 1385948818 /nfs/dbraw/zinc/94/88/18/1385948818.db2.gz KIAJXNRCUPZLFX-KRWDZBQOSA-N 1 3 343.943 3.078 20 30 EGEDHO C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CCC ZINC001177466919 1385966447 /nfs/dbraw/zinc/96/64/47/1385966447.db2.gz KVFPKXMXDDOYTJ-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178487053 1386232803 /nfs/dbraw/zinc/23/28/03/1386232803.db2.gz MGKCLZFZJUUTJM-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546221 1386511136 /nfs/dbraw/zinc/51/11/36/1386511136.db2.gz GGDFJUFEZUUISW-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623753 1387198126 /nfs/dbraw/zinc/19/81/26/1387198126.db2.gz VLPJFYTZIAGIIL-YLJYHZDGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754807823 1440691489 /nfs/dbraw/zinc/69/14/89/1440691489.db2.gz UIOZNAGXNGOLQX-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001755028969 1440730379 /nfs/dbraw/zinc/73/03/79/1440730379.db2.gz KIKJRWTUBVGUSB-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001755028969 1440730380 /nfs/dbraw/zinc/73/03/80/1440730380.db2.gz KIKJRWTUBVGUSB-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001755187095 1440773545 /nfs/dbraw/zinc/77/35/45/1440773545.db2.gz VGVUACFVXBWWIZ-GEALJGNFSA-N 1 3 343.515 3.053 20 30 EGEDHO C=CCN1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755365401 1440834210 /nfs/dbraw/zinc/83/42/10/1440834210.db2.gz FCGUFHBPQFXDND-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001755869592 1440938749 /nfs/dbraw/zinc/93/87/49/1440938749.db2.gz KXQUTNNHVBHNSP-QZTJIDSGSA-N 1 3 347.547 3.186 20 30 EGEDHO N#CCCn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccccc2)n1 ZINC000113320918 454923163 /nfs/dbraw/zinc/92/31/63/454923163.db2.gz SDABXCOEMGFGIW-QGZVFWFLSA-N 1 3 349.482 3.038 20 30 EGEDHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC1CCCCC1 ZINC000262011164 455984527 /nfs/dbraw/zinc/98/45/27/455984527.db2.gz UCKHSOXEUGSUQM-HNNXBMFYSA-N 1 3 334.533 3.197 20 30 EGEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443590958 457784138 /nfs/dbraw/zinc/78/41/38/457784138.db2.gz JYRPEIOOEXCCSP-IBGZPJMESA-N 1 3 347.547 3.164 20 30 EGEDHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000442718310 459025631 /nfs/dbraw/zinc/02/56/31/459025631.db2.gz LGDSOEJQNBUENF-AEFFLSMTSA-N 1 3 345.487 3.198 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000442778295 459034118 /nfs/dbraw/zinc/03/41/18/459034118.db2.gz JQXOBLBDQQCJPB-OALUTQOASA-N 1 3 327.472 3.189 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H](C)CCC#N)CC2)c1 ZINC000602510810 459976427 /nfs/dbraw/zinc/97/64/27/459976427.db2.gz OMDZDXBOZHHKQO-FQEVSTJZSA-N 1 3 342.531 3.427 20 30 EGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000611393084 460353449 /nfs/dbraw/zinc/35/34/49/460353449.db2.gz IDCSZQSRBRGIJI-UTKZUKDTSA-N 1 3 339.483 3.026 20 30 EGEDHO C=CCCC(C)(C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000620857282 460812135 /nfs/dbraw/zinc/81/21/35/460812135.db2.gz VYYFIZSTROVXEP-UHFFFAOYSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCOc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543940 461758784 /nfs/dbraw/zinc/75/87/84/461758784.db2.gz UQWBHVLKYKXYDC-RTBURBONSA-N 1 3 344.499 3.472 20 30 EGEDHO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402403812 1297745832 /nfs/dbraw/zinc/74/58/32/1297745832.db2.gz RYUJVUUWTORFOT-UNMCSNQZSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402403812 1297745836 /nfs/dbraw/zinc/74/58/36/1297745836.db2.gz RYUJVUUWTORFOT-UNMCSNQZSA-N 1 3 349.478 3.046 20 30 EGEDHO N#Cc1cccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000877697055 1299487530 /nfs/dbraw/zinc/48/75/30/1299487530.db2.gz GRSAKSUEDHLPQC-UHFFFAOYSA-N 1 3 334.467 3.345 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796669 1317618072 /nfs/dbraw/zinc/61/80/72/1317618072.db2.gz SRPUTVXGMURRGK-INIZCTEOSA-N 1 3 330.472 3.473 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086710 1321025403 /nfs/dbraw/zinc/02/54/03/1321025403.db2.gz OMTPJVFUPUGSHH-NRFANRHFSA-N 1 3 344.499 3.437 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086710 1321025407 /nfs/dbraw/zinc/02/54/07/1321025407.db2.gz OMTPJVFUPUGSHH-NRFANRHFSA-N 1 3 344.499 3.437 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630673 1324481948 /nfs/dbraw/zinc/48/19/48/1324481948.db2.gz UUVBCWSSNMQKBE-QZTJIDSGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630673 1324481951 /nfs/dbraw/zinc/48/19/51/1324481951.db2.gz UUVBCWSSNMQKBE-QZTJIDSGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306350 1325087443 /nfs/dbraw/zinc/08/74/43/1325087443.db2.gz NXXGLWGYRXIFNW-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306350 1325087455 /nfs/dbraw/zinc/08/74/55/1325087455.db2.gz NXXGLWGYRXIFNW-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310254 1325094703 /nfs/dbraw/zinc/09/47/03/1325094703.db2.gz CVZQVRFSHKRMGW-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310254 1325094708 /nfs/dbraw/zinc/09/47/08/1325094708.db2.gz CVZQVRFSHKRMGW-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056953 1333358578 /nfs/dbraw/zinc/35/85/78/1333358578.db2.gz OOZMSYXUESLCSS-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056953 1333358582 /nfs/dbraw/zinc/35/85/82/1333358582.db2.gz OOZMSYXUESLCSS-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968856712 1336069664 /nfs/dbraw/zinc/06/96/64/1336069664.db2.gz NCKRQWYMQDFNBW-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968856712 1336069665 /nfs/dbraw/zinc/06/96/65/1336069665.db2.gz NCKRQWYMQDFNBW-RBUKOAKNSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928452 1336092904 /nfs/dbraw/zinc/09/29/04/1336092904.db2.gz LFBBNKSZLULRRH-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928452 1336092907 /nfs/dbraw/zinc/09/29/07/1336092907.db2.gz LFBBNKSZLULRRH-RBUKOAKNSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210582 1342319746 /nfs/dbraw/zinc/31/97/46/1342319746.db2.gz IAUYMLUHOWRCIE-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210582 1342319749 /nfs/dbraw/zinc/31/97/49/1342319749.db2.gz IAUYMLUHOWRCIE-OALUTQOASA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001034370215 1342439069 /nfs/dbraw/zinc/43/90/69/1342439069.db2.gz XIBOGTGKJBVUHI-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001034370215 1342439071 /nfs/dbraw/zinc/43/90/71/1342439071.db2.gz XIBOGTGKJBVUHI-UYAOXDASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034481291 1342539114 /nfs/dbraw/zinc/53/91/14/1342539114.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034481291 1342539116 /nfs/dbraw/zinc/53/91/16/1342539116.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034481291 1342539117 /nfs/dbraw/zinc/53/91/17/1342539117.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481291 1342539119 /nfs/dbraw/zinc/53/91/19/1342539119.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180129 1344876277 /nfs/dbraw/zinc/87/62/77/1344876277.db2.gz LWNFVZMZZHEMPW-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180129 1344876281 /nfs/dbraw/zinc/87/62/81/1344876281.db2.gz LWNFVZMZZHEMPW-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040209187 1345375845 /nfs/dbraw/zinc/37/58/45/1345375845.db2.gz OKKSHRRILCYFBD-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040209187 1345375847 /nfs/dbraw/zinc/37/58/47/1345375847.db2.gz OKKSHRRILCYFBD-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041722796 1345831901 /nfs/dbraw/zinc/83/19/01/1345831901.db2.gz AGANSZZNCMTIFB-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041722796 1345831902 /nfs/dbraw/zinc/83/19/02/1345831902.db2.gz AGANSZZNCMTIFB-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045940599 1346776502 /nfs/dbraw/zinc/77/65/02/1346776502.db2.gz BFCRKVDJWAJEBK-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045940599 1346776503 /nfs/dbraw/zinc/77/65/03/1346776503.db2.gz BFCRKVDJWAJEBK-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943855 1346779528 /nfs/dbraw/zinc/77/95/28/1346779528.db2.gz PZXULRYQQVNCIB-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943855 1346779529 /nfs/dbraw/zinc/77/95/29/1346779529.db2.gz PZXULRYQQVNCIB-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244049 1347270119 /nfs/dbraw/zinc/27/01/19/1347270119.db2.gz PHOPUPRPEOKLMR-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526537 1347893119 /nfs/dbraw/zinc/89/31/19/1347893119.db2.gz VQQDXNAVRNXZNO-AQNXPRMDSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526537 1347893121 /nfs/dbraw/zinc/89/31/21/1347893121.db2.gz VQQDXNAVRNXZNO-AQNXPRMDSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001050518635 1348282429 /nfs/dbraw/zinc/28/24/29/1348282429.db2.gz HDCBNVZLPNTIMD-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781900 1358757216 /nfs/dbraw/zinc/75/72/16/1358757216.db2.gz HWILRNMKRXXKRD-PMACEKPBSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781900 1358757219 /nfs/dbraw/zinc/75/72/19/1358757219.db2.gz HWILRNMKRXXKRD-PMACEKPBSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400818 1360400601 /nfs/dbraw/zinc/40/06/01/1360400601.db2.gz LIJOJWDFVDPLEW-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400818 1360400602 /nfs/dbraw/zinc/40/06/02/1360400602.db2.gz LIJOJWDFVDPLEW-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001099153951 1363660279 /nfs/dbraw/zinc/66/02/79/1363660279.db2.gz QSZLRZWPRDHACC-LJQANCHMSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153951 1363660281 /nfs/dbraw/zinc/66/02/81/1363660281.db2.gz QSZLRZWPRDHACC-LJQANCHMSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099153925 1363660365 /nfs/dbraw/zinc/66/03/65/1363660365.db2.gz QDVJIAZCIJKHNI-SFHVURJKSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001101573922 1364628337 /nfs/dbraw/zinc/62/83/37/1364628337.db2.gz KBEHVGOCYWLVQJ-SFHVURJKSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357298 1387691231 /nfs/dbraw/zinc/69/12/31/1387691231.db2.gz BYQPVXGERWSJDB-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375308 1365029458 /nfs/dbraw/zinc/02/94/58/1365029458.db2.gz BRQHVQRVGBYMNV-FGTMMUONSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375308 1365029464 /nfs/dbraw/zinc/02/94/64/1365029464.db2.gz BRQHVQRVGBYMNV-FGTMMUONSA-N 1 3 337.552 3.003 20 30 EGEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104194632 1365946965 /nfs/dbraw/zinc/94/69/65/1365946965.db2.gz PLNQMCQCMIDKAQ-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104811933 1366184318 /nfs/dbraw/zinc/18/43/18/1366184318.db2.gz KDAFJKJSLWVAGS-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566948 1366535140 /nfs/dbraw/zinc/53/51/40/1366535140.db2.gz ZZTQYCNUBYRISI-SFHVURJKSA-N 1 3 344.503 3.059 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105574780 1366539659 /nfs/dbraw/zinc/53/96/59/1366539659.db2.gz HKVQPGMBXLYJEG-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106673371 1366770473 /nfs/dbraw/zinc/77/04/73/1366770473.db2.gz WWRNWTKCHALZPK-KZNAEPCWSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106775582 1366794770 /nfs/dbraw/zinc/79/47/70/1366794770.db2.gz RFBDASMNXGSNFQ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641717 1368654179 /nfs/dbraw/zinc/65/41/79/1368654179.db2.gz MWARZAXOUPUYFV-HXUWFJFHSA-N 1 3 349.563 3.366 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114286940 1369852493 /nfs/dbraw/zinc/85/24/93/1369852493.db2.gz BECBXKJSJWWUJC-BWTSREIZSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114286940 1369852496 /nfs/dbraw/zinc/85/24/96/1369852496.db2.gz BECBXKJSJWWUJC-BWTSREIZSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027795 1369959938 /nfs/dbraw/zinc/95/99/38/1369959938.db2.gz IIXQJFCUGFEFHL-ZWKOTPCHSA-N 1 3 349.563 3.458 20 30 EGEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203506741 1370148342 /nfs/dbraw/zinc/14/83/42/1370148342.db2.gz LEVUSOGRSMYZQN-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507587 1370149043 /nfs/dbraw/zinc/14/90/43/1370149043.db2.gz TWWVSZIBPXWSBY-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767330 1372074757 /nfs/dbraw/zinc/07/47/57/1372074757.db2.gz BFJGJQNSUDPODJ-PMRGXDQWSA-N 1 3 347.547 3.234 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419496 1375366847 /nfs/dbraw/zinc/36/68/47/1375366847.db2.gz CPVKBBCCKFUKJN-RBUKOAKNSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892898 1375628728 /nfs/dbraw/zinc/62/87/28/1375628728.db2.gz JXFPARIXNNDHMS-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001229195335 1375785354 /nfs/dbraw/zinc/78/53/54/1375785354.db2.gz ZFJMBGLRMUUKIK-ZACQAIPSSA-N 1 3 343.943 3.122 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274540 1375888965 /nfs/dbraw/zinc/88/89/65/1375888965.db2.gz JUJHPCJGADTCOC-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337137 1375929760 /nfs/dbraw/zinc/92/97/60/1375929760.db2.gz JFXKADZYKPEVJS-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001146614581 1378878734 /nfs/dbraw/zinc/87/87/34/1378878734.db2.gz YPJRQGPMEUINLV-ZWKOTPCHSA-N 1 3 349.563 3.031 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313489 1380053800 /nfs/dbraw/zinc/05/38/00/1380053800.db2.gz SQCJPLVHWPLWMW-RTBURBONSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313489 1380053804 /nfs/dbraw/zinc/05/38/04/1380053804.db2.gz SQCJPLVHWPLWMW-RTBURBONSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224893 1383569951 /nfs/dbraw/zinc/56/99/51/1383569951.db2.gz MHEGFXNJIIIYDQ-SFHVURJKSA-N 1 3 335.536 3.093 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509983 1384546425 /nfs/dbraw/zinc/54/64/25/1384546425.db2.gz XKCOBJFTYXZEAB-QZTJIDSGSA-N 1 3 325.541 3.338 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317930191 1385571914 /nfs/dbraw/zinc/57/19/14/1385571914.db2.gz GIUGRUXELPCXDM-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317930191 1385571919 /nfs/dbraw/zinc/57/19/19/1385571919.db2.gz GIUGRUXELPCXDM-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177378506 1385934590 /nfs/dbraw/zinc/93/45/90/1385934590.db2.gz DOQIFTAGZKFGKL-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)N(C)C ZINC001177415524 1385948485 /nfs/dbraw/zinc/94/84/85/1385948485.db2.gz AYYODBJJFXUOGG-IBGZPJMESA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179593174 1386526794 /nfs/dbraw/zinc/52/67/94/1386526794.db2.gz YNILXJKGJMWNFE-SFHVURJKSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746435 1386570770 /nfs/dbraw/zinc/57/07/70/1386570770.db2.gz UGPFKXHUKPGHIF-LJQANCHMSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623120 1387198236 /nfs/dbraw/zinc/19/82/36/1387198236.db2.gz CAIZWSOFEQKZSW-LVCYWYKZSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC001182807260 1387228176 /nfs/dbraw/zinc/22/81/76/1387228176.db2.gz PHSQGYJXUNKFRN-SVFBPWRDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001732399824 1428565745 /nfs/dbraw/zinc/56/57/45/1428565745.db2.gz HVMPLFRIWNQPCA-UHFFFAOYSA-N 1 3 349.906 3.133 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001752320397 1440170518 /nfs/dbraw/zinc/17/05/18/1440170518.db2.gz GIUGRUXELPCXDM-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001752320397 1440170520 /nfs/dbraw/zinc/17/05/20/1440170520.db2.gz GIUGRUXELPCXDM-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001753562607 1440437149 /nfs/dbraw/zinc/43/71/49/1440437149.db2.gz SYCXHVXFEFBHEO-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001754545880 1440627508 /nfs/dbraw/zinc/62/75/08/1440627508.db2.gz XUZXAAOSUZRUJB-UHFFFAOYSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001754545880 1440627509 /nfs/dbraw/zinc/62/75/09/1440627509.db2.gz XUZXAAOSUZRUJB-UHFFFAOYSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)c1ccc2ccccc2c1 ZINC001754644605 1440649900 /nfs/dbraw/zinc/64/99/00/1440649900.db2.gz VFGUUDZOKDFHER-FQEVSTJZSA-N 1 3 339.483 3.113 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755143602 1440762245 /nfs/dbraw/zinc/76/22/45/1440762245.db2.gz LVGAXLVBSUEHRJ-SFHVURJKSA-N 1 3 348.535 3.448 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001755143602 1440762246 /nfs/dbraw/zinc/76/22/46/1440762246.db2.gz LVGAXLVBSUEHRJ-SFHVURJKSA-N 1 3 348.535 3.448 20 30 EGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028754 454264549 /nfs/dbraw/zinc/26/45/49/454264549.db2.gz ODCJFKYWDRHJJJ-ZWKOTPCHSA-N 1 3 343.515 3.203 20 30 EGEDHO CN1CCC(Oc2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000283823157 455599629 /nfs/dbraw/zinc/59/96/29/455599629.db2.gz DCENOWCTHHDJGS-UHFFFAOYSA-N 1 3 338.455 3.086 20 30 EGEDHO CN1C[C@@H]2C[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856206 /nfs/dbraw/zinc/85/62/06/455856206.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 1 3 347.462 3.131 20 30 EGEDHO CN1C[C@@H]2C[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856210 /nfs/dbraw/zinc/85/62/10/455856210.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 1 3 347.462 3.131 20 30 EGEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000237195617 456246116 /nfs/dbraw/zinc/24/61/16/456246116.db2.gz GVYYXIUIGJYVRH-UHFFFAOYSA-N 1 3 328.504 3.389 20 30 EGEDHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C#N ZINC000443983745 457832384 /nfs/dbraw/zinc/83/23/84/457832384.db2.gz FAZBRINHMWCNPO-QFIPXVFZSA-N 1 3 349.478 3.113 20 30 EGEDHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000443983745 457832387 /nfs/dbraw/zinc/83/23/87/457832387.db2.gz FAZBRINHMWCNPO-QFIPXVFZSA-N 1 3 349.478 3.113 20 30 EGEDHO C=CCC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411471620 457895870 /nfs/dbraw/zinc/89/58/70/457895870.db2.gz LIPBPUYFATYTSE-FQEVSTJZSA-N 1 3 343.515 3.273 20 30 EGEDHO C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000422988254 458429422 /nfs/dbraw/zinc/42/94/22/458429422.db2.gz KBSPAGPZOGPXCJ-JYPHPWERSA-N 1 3 327.472 3.368 20 30 EGEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(OCCCC#N)c1)C2 ZINC000377630074 458507153 /nfs/dbraw/zinc/50/71/53/458507153.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 1 3 327.472 3.426 20 30 EGEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(OCCCC#N)c1)C2 ZINC000377630074 458507157 /nfs/dbraw/zinc/50/71/57/458507157.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 1 3 327.472 3.426 20 30 EGEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000377885200 458563067 /nfs/dbraw/zinc/56/30/67/458563067.db2.gz RQWJAOVTTOHTAB-APWZRJJASA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000377885200 458563071 /nfs/dbraw/zinc/56/30/71/458563071.db2.gz RQWJAOVTTOHTAB-APWZRJJASA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(OCCN(C)C)c1 ZINC000467432419 458975028 /nfs/dbraw/zinc/97/50/28/458975028.db2.gz BNPHBOLSOWBQDF-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@@H]1C[C@H](CCNCc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000602578098 460006071 /nfs/dbraw/zinc/00/60/71/460006071.db2.gz YYKHBJARVBYXLC-MJGOQNOKSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@@H]1C[C@H](CCNCc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578098 460006081 /nfs/dbraw/zinc/00/60/81/460006081.db2.gz YYKHBJARVBYXLC-MJGOQNOKSA-N 1 3 334.467 3.344 20 30 EGEDHO CC(C)(C#N)C[C@@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000598721117 460006269 /nfs/dbraw/zinc/00/62/69/460006269.db2.gz SLEPSULFUACNPV-HXUWFJFHSA-N 1 3 343.515 3.453 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000602647204 460041987 /nfs/dbraw/zinc/04/19/87/460041987.db2.gz WWBMDQQCYNFUNI-HKUYNNGSSA-N 1 3 333.520 3.472 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246980758 1296378065 /nfs/dbraw/zinc/37/80/65/1296378065.db2.gz JQIOASXFAZAKQR-FXAWDEMLSA-N 1 3 344.499 3.436 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246980758 1296378079 /nfs/dbraw/zinc/37/80/79/1296378079.db2.gz JQIOASXFAZAKQR-FXAWDEMLSA-N 1 3 344.499 3.436 20 30 EGEDHO C[NH+]1CCC([C@H]2CCN(Cn3ccc(-c4ccc(C#N)cc4)n3)C2)CC1 ZINC000755776199 1300395819 /nfs/dbraw/zinc/39/58/19/1300395819.db2.gz YFZCNDXCKHLPSW-FQEVSTJZSA-N 1 3 349.482 3.043 20 30 EGEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC000970719497 1336335467 /nfs/dbraw/zinc/33/54/67/1336335467.db2.gz RZWIPMZNMJSLTP-IEBWSBKVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938169 1346774184 /nfs/dbraw/zinc/77/41/84/1346774184.db2.gz TYYBOIRUXSYDQF-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938169 1346774187 /nfs/dbraw/zinc/77/41/87/1346774187.db2.gz TYYBOIRUXSYDQF-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254417 1347278837 /nfs/dbraw/zinc/27/88/37/1347278837.db2.gz PHOPUPRPEOKLMR-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047257605 1347280686 /nfs/dbraw/zinc/28/06/86/1347280686.db2.gz RRBIKKODOPOAKC-PMACEKPBSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921414 1348113970 /nfs/dbraw/zinc/11/39/70/1348113970.db2.gz WGMZXHFJFLBHBS-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921414 1348113971 /nfs/dbraw/zinc/11/39/71/1348113971.db2.gz WGMZXHFJFLBHBS-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209240 1349210544 /nfs/dbraw/zinc/21/05/44/1349210544.db2.gz MAXOZVKFFFMAOI-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209240 1349210546 /nfs/dbraw/zinc/21/05/46/1349210546.db2.gz MAXOZVKFFFMAOI-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458304 1356390280 /nfs/dbraw/zinc/39/02/80/1356390280.db2.gz BRSOPSKULIYMAP-QUCCMNQESA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458304 1356390283 /nfs/dbraw/zinc/39/02/83/1356390283.db2.gz BRSOPSKULIYMAP-QUCCMNQESA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001085225365 1358437763 /nfs/dbraw/zinc/43/77/63/1358437763.db2.gz SPOSYTYRRGRFKZ-BRWVUGGUSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225365 1358437764 /nfs/dbraw/zinc/43/77/64/1358437764.db2.gz SPOSYTYRRGRFKZ-BRWVUGGUSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927141 1359251901 /nfs/dbraw/zinc/25/19/01/1359251901.db2.gz TWPKLCXTZGDTGG-SFHVURJKSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379924 1360382654 /nfs/dbraw/zinc/38/26/54/1360382654.db2.gz APBZEJMPJZLMDJ-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379924 1360382657 /nfs/dbraw/zinc/38/26/57/1360382657.db2.gz APBZEJMPJZLMDJ-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335213 1364082919 /nfs/dbraw/zinc/08/29/19/1364082919.db2.gz OTSJQTZBHRHGGX-AOCRQIFASA-N 1 3 335.536 3.090 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267910 1364492372 /nfs/dbraw/zinc/49/23/72/1364492372.db2.gz YATPMLMVXRRTJM-QUCCMNQESA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267910 1364492373 /nfs/dbraw/zinc/49/23/73/1364492373.db2.gz YATPMLMVXRRTJM-QUCCMNQESA-N 1 3 349.563 3.221 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544190 1366521053 /nfs/dbraw/zinc/52/10/53/1366521053.db2.gz CZCAKEVWWVTQLG-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173779 1367190243 /nfs/dbraw/zinc/19/02/43/1367190243.db2.gz AITVCQCYPMGJEX-ROUUACIJSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001190173779 1367190250 /nfs/dbraw/zinc/19/02/50/1367190250.db2.gz AITVCQCYPMGJEX-ROUUACIJSA-N 1 3 335.536 3.138 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190788259 1367349976 /nfs/dbraw/zinc/34/99/76/1367349976.db2.gz HYCKLYFJKASTRE-MSOLQXFVSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190788259 1367349978 /nfs/dbraw/zinc/34/99/78/1367349978.db2.gz HYCKLYFJKASTRE-MSOLQXFVSA-N 1 3 325.541 3.076 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619419 1368650459 /nfs/dbraw/zinc/65/04/59/1368650459.db2.gz AWSZBTCQCMCLRH-FQEVSTJZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105355 1369984825 /nfs/dbraw/zinc/98/48/25/1369984825.db2.gz XHDHEBYLLQNJTJ-QZTJIDSGSA-N 1 3 349.563 3.480 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579623 1370583679 /nfs/dbraw/zinc/58/36/79/1370583679.db2.gz XKOKDNOJRAJTHQ-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579623 1370583681 /nfs/dbraw/zinc/58/36/81/1370583681.db2.gz XKOKDNOJRAJTHQ-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726344 1370707522 /nfs/dbraw/zinc/70/75/22/1370707522.db2.gz AFCYJGPUSVKDHA-MRXNPFEDSA-N 1 3 343.943 3.268 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120188685 1371502577 /nfs/dbraw/zinc/50/25/77/1371502577.db2.gz BNXJWSGIYKDSFN-QZTJIDSGSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208013103 1371567474 /nfs/dbraw/zinc/56/74/74/1371567474.db2.gz AESBJKGUZZNTKQ-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431470 1371575554 /nfs/dbraw/zinc/57/55/54/1371575554.db2.gz UDWLSXMEPLEYRK-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431470 1371575558 /nfs/dbraw/zinc/57/55/58/1371575558.db2.gz UDWLSXMEPLEYRK-RBUKOAKNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001121978397 1372142397 /nfs/dbraw/zinc/14/23/97/1372142397.db2.gz NPXNKUOUXONVLY-RLLQIKCJSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978397 1372142401 /nfs/dbraw/zinc/14/24/01/1372142401.db2.gz NPXNKUOUXONVLY-RLLQIKCJSA-N 1 3 343.515 3.087 20 30 EGEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001122004877 1372150916 /nfs/dbraw/zinc/15/09/16/1372150916.db2.gz CPFLBOIPMQDJLL-APWZRJJASA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001122004877 1372150919 /nfs/dbraw/zinc/15/09/19/1372150919.db2.gz CPFLBOIPMQDJLL-APWZRJJASA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCC[NH+]1CCC(CNC(=O)CN(C)CCCCCC)CC1 ZINC001224883507 1375082396 /nfs/dbraw/zinc/08/23/96/1375082396.db2.gz CPNDWDRYXGAIGZ-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO CCC#C[C@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160287 1375400443 /nfs/dbraw/zinc/40/04/43/1375400443.db2.gz FIJJFXJRASBGNB-KRWDZBQOSA-N 1 3 345.531 3.052 20 30 EGEDHO CC(C)(Nc1cccc(N2CCC([NH3+])CC2)n1)c1ccc(C#N)cc1 ZINC001156430623 1380575070 /nfs/dbraw/zinc/57/50/70/1380575070.db2.gz HKWMLIILZMZFEE-UHFFFAOYSA-N 1 3 335.455 3.228 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161208031 1382342292 /nfs/dbraw/zinc/34/22/92/1382342292.db2.gz YMYNJYRTXQWNAT-IBGZPJMESA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161208031 1382342294 /nfs/dbraw/zinc/34/22/94/1382342294.db2.gz YMYNJYRTXQWNAT-IBGZPJMESA-N 1 3 347.547 3.356 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167223877 1383569932 /nfs/dbraw/zinc/56/99/32/1383569932.db2.gz CRKMUMVPVBRWOK-GOSISDBHSA-N 1 3 337.552 3.317 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167835196 1383754109 /nfs/dbraw/zinc/75/41/09/1383754109.db2.gz GFFBWWXIQAYBQP-UHFFFAOYSA-N 1 3 325.541 3.175 20 30 EGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128268 1384736583 /nfs/dbraw/zinc/73/65/83/1384736583.db2.gz QPOQCEVWXYXOTE-FUMNGEBKSA-N 1 3 339.483 3.417 20 30 EGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128268 1384736587 /nfs/dbraw/zinc/73/65/87/1384736587.db2.gz QPOQCEVWXYXOTE-FUMNGEBKSA-N 1 3 339.483 3.417 20 30 EGEDHO N#CCC1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001173329386 1384960279 /nfs/dbraw/zinc/96/02/79/1384960279.db2.gz AIXJOMJVZYHFEW-UHFFFAOYSA-N 1 3 326.488 3.356 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001175739507 1385391811 /nfs/dbraw/zinc/39/18/11/1385391811.db2.gz PPRYAOVFFVAZSU-GOSISDBHSA-N 1 3 325.541 3.339 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737961 1385677384 /nfs/dbraw/zinc/67/73/84/1385677384.db2.gz OAUWSQFJZJETGL-QGZVFWFLSA-N 1 3 331.504 3.203 20 30 EGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746860 1385681474 /nfs/dbraw/zinc/68/14/74/1385681474.db2.gz ODEJYRJETXQWMN-QGZVFWFLSA-N 1 3 331.504 3.203 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180372909 1386778019 /nfs/dbraw/zinc/77/80/19/1386778019.db2.gz NFQXNUWIDULKII-MOPGFXCFSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181885307 1387071044 /nfs/dbraw/zinc/07/10/44/1387071044.db2.gz UUQKHGZJUMHIMM-QWFCFKBJSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CC(C)(C)C ZINC001754540700 1440626158 /nfs/dbraw/zinc/62/61/58/1440626158.db2.gz BPRKWIOVZUSBEL-YQQQUEKLSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754946576 1440713439 /nfs/dbraw/zinc/71/34/39/1440713439.db2.gz NOQAJCRXWZEZFT-GOSISDBHSA-N 1 3 343.515 3.185 20 30 EGEDHO C=CCCC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001755851191 1440935000 /nfs/dbraw/zinc/93/50/00/1440935000.db2.gz VNKLJPGPYBPQCJ-KRWDZBQOSA-N 1 3 337.552 3.147 20 30 EGEDHO CN(Cc1cccc(C#N)c1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354855985 166049416 /nfs/dbraw/zinc/04/94/16/166049416.db2.gz FTXHMXXDNBSSKA-UHFFFAOYSA-N 1 3 338.430 3.441 20 30 EGEDHO C=CCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381172 454559118 /nfs/dbraw/zinc/55/91/18/454559118.db2.gz RTKCBSNYCCFRRR-UHFFFAOYSA-N 1 3 332.488 3.424 20 30 EGEDHO C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000344770954 456857654 /nfs/dbraw/zinc/85/76/54/456857654.db2.gz JIBRQVZFBRKSEF-HKUYNNGSSA-N 1 3 339.483 3.092 20 30 EGEDHO C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000344770954 456857656 /nfs/dbraw/zinc/85/76/56/456857656.db2.gz JIBRQVZFBRKSEF-HKUYNNGSSA-N 1 3 339.483 3.092 20 30 EGEDHO COCCC[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834028 457373331 /nfs/dbraw/zinc/37/33/31/457373331.db2.gz IJFBMHFQHDROIU-NRFANRHFSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593689 459957570 /nfs/dbraw/zinc/95/75/70/459957570.db2.gz VUVGBWNOCAUYJV-PKOBYXMFSA-N 1 3 335.536 3.264 20 30 EGEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593689 459957575 /nfs/dbraw/zinc/95/75/75/459957575.db2.gz VUVGBWNOCAUYJV-PKOBYXMFSA-N 1 3 335.536 3.264 20 30 EGEDHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000191459430 528452496 /nfs/dbraw/zinc/45/24/96/528452496.db2.gz DJRKONMBCDSNLR-LJQANCHMSA-N 1 3 342.531 3.357 20 30 EGEDHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000191459430 528452500 /nfs/dbraw/zinc/45/25/00/528452500.db2.gz DJRKONMBCDSNLR-LJQANCHMSA-N 1 3 342.531 3.357 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000089631904 1292773298 /nfs/dbraw/zinc/77/32/98/1292773298.db2.gz NLWPISZNHDVSAF-CGTJXYLNSA-N 1 3 345.487 3.196 20 30 EGEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000194062140 1295938234 /nfs/dbraw/zinc/93/82/34/1295938234.db2.gz DZESQUIWZQZWDZ-UHFFFAOYSA-N 1 3 326.488 3.000 20 30 EGEDHO C#CCOc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000236691790 1296197407 /nfs/dbraw/zinc/19/74/07/1296197407.db2.gz AAVNKHDHIXSITC-UHFFFAOYSA-N 1 3 334.463 3.237 20 30 EGEDHO C#CCOc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000236691790 1296197411 /nfs/dbraw/zinc/19/74/11/1296197411.db2.gz AAVNKHDHIXSITC-UHFFFAOYSA-N 1 3 334.463 3.237 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000902871412 1317625434 /nfs/dbraw/zinc/62/54/34/1317625434.db2.gz NWPKVSLJTHOQCU-HLIPFELVSA-N 1 3 329.488 3.488 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968856710 1336069622 /nfs/dbraw/zinc/06/96/22/1336069622.db2.gz NCKRQWYMQDFNBW-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000968856710 1336069624 /nfs/dbraw/zinc/06/96/24/1336069624.db2.gz NCKRQWYMQDFNBW-MOPGFXCFSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882496 1336079089 /nfs/dbraw/zinc/07/90/89/1336079089.db2.gz PBYJVZMLDWJPPA-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882496 1336079086 /nfs/dbraw/zinc/07/90/86/1336079086.db2.gz PBYJVZMLDWJPPA-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835600 1342035179 /nfs/dbraw/zinc/03/51/79/1342035179.db2.gz KCRFXQMMZPMIOZ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835600 1342035182 /nfs/dbraw/zinc/03/51/82/1342035182.db2.gz KCRFXQMMZPMIOZ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943888 1346779479 /nfs/dbraw/zinc/77/94/79/1346779479.db2.gz QUFBIHQVOXUKEP-FQEVSTJZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943888 1346779481 /nfs/dbraw/zinc/77/94/81/1346779481.db2.gz QUFBIHQVOXUKEP-FQEVSTJZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072558 1358383533 /nfs/dbraw/zinc/38/35/33/1358383533.db2.gz HAXYDYGIBSRNLG-AABGKKOBSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072558 1358383534 /nfs/dbraw/zinc/38/35/34/1358383534.db2.gz HAXYDYGIBSRNLG-AABGKKOBSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509316 1360480926 /nfs/dbraw/zinc/48/09/26/1360480926.db2.gz ASOKMGRPTCFCHD-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509316 1360480927 /nfs/dbraw/zinc/48/09/27/1360480927.db2.gz ASOKMGRPTCFCHD-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001089706356 1360609506 /nfs/dbraw/zinc/60/95/06/1360609506.db2.gz RIJPQESOEZYPEU-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001089706356 1360609510 /nfs/dbraw/zinc/60/95/10/1360609510.db2.gz RIJPQESOEZYPEU-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414221 1361791018 /nfs/dbraw/zinc/79/10/18/1361791018.db2.gz YAUCRGVNJYGFSI-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414221 1361791024 /nfs/dbraw/zinc/79/10/24/1361791024.db2.gz YAUCRGVNJYGFSI-QKNQBKEWSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098822283 1363482593 /nfs/dbraw/zinc/48/25/93/1363482593.db2.gz YHZLJXLGUPULMG-AZUAARDMSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100383136 1364097592 /nfs/dbraw/zinc/09/75/92/1364097592.db2.gz NCBNUDSUCZHRCG-ACBHZAAOSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100764863 1364251759 /nfs/dbraw/zinc/25/17/59/1364251759.db2.gz JAOIBNWOWINULQ-VIQWUECVSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001101597665 1364648134 /nfs/dbraw/zinc/64/81/34/1364648134.db2.gz VZFJOSSHMFDFFB-LJQANCHMSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156395 1365413620 /nfs/dbraw/zinc/41/36/20/1365413620.db2.gz BBMHMQPUOVMQLZ-KZNAEPCWSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103156395 1365413622 /nfs/dbraw/zinc/41/36/22/1365413622.db2.gz BBMHMQPUOVMQLZ-KZNAEPCWSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438319 1365561431 /nfs/dbraw/zinc/56/14/31/1365561431.db2.gz BATRBYZJEODLAR-GUDVDZBRSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438319 1365561436 /nfs/dbraw/zinc/56/14/36/1365561436.db2.gz BATRBYZJEODLAR-GUDVDZBRSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750549 1365764004 /nfs/dbraw/zinc/76/40/04/1365764004.db2.gz AWGMMTOSOAJWKW-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750549 1365764008 /nfs/dbraw/zinc/76/40/08/1365764008.db2.gz AWGMMTOSOAJWKW-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105574779 1366539425 /nfs/dbraw/zinc/53/94/25/1366539425.db2.gz HKVQPGMBXLYJEG-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266769 1368219975 /nfs/dbraw/zinc/21/99/75/1368219975.db2.gz ZYAXHTBLCVDVLD-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266769 1368219976 /nfs/dbraw/zinc/21/99/76/1368219976.db2.gz ZYAXHTBLCVDVLD-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186604695 1387983915 /nfs/dbraw/zinc/98/39/15/1387983915.db2.gz GTQNMZRSSXKTJY-LJQANCHMSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186604695 1387983918 /nfs/dbraw/zinc/98/39/18/1387983918.db2.gz GTQNMZRSSXKTJY-LJQANCHMSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521552 1370153472 /nfs/dbraw/zinc/15/34/72/1370153472.db2.gz KGALGXVHBCNBGI-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C[NH+]1CCC(C)(CN2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001208116217 1371599925 /nfs/dbraw/zinc/59/99/25/1371599925.db2.gz RAQKPKJGGWNIIH-UHFFFAOYSA-N 1 3 329.463 3.415 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900428 1375488743 /nfs/dbraw/zinc/48/87/43/1375488743.db2.gz NGRBYZAITXVCPD-RCCFBDPRSA-N 1 3 335.536 3.233 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001230359938 1376008083 /nfs/dbraw/zinc/00/80/83/1376008083.db2.gz LQEFSHXKEZTJDP-KRWDZBQOSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323681 1376809540 /nfs/dbraw/zinc/80/95/40/1376809540.db2.gz SCTAPCCNEUEXSS-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323681 1376809547 /nfs/dbraw/zinc/80/95/47/1376809547.db2.gz SCTAPCCNEUEXSS-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235969981 1376924029 /nfs/dbraw/zinc/92/40/29/1376924029.db2.gz XDWHPNSGQAXMPX-OAQYLSRUSA-N 1 3 347.462 3.247 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161953349 1382568989 /nfs/dbraw/zinc/56/89/89/1382568989.db2.gz SVRFEVVJRWVTBA-UHFFFAOYSA-N 1 3 337.552 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161953349 1382568994 /nfs/dbraw/zinc/56/89/94/1382568994.db2.gz SVRFEVVJRWVTBA-UHFFFAOYSA-N 1 3 337.552 3.435 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167754372 1383731391 /nfs/dbraw/zinc/73/13/91/1383731391.db2.gz XBKOSEBHVRORKN-QFNCUCFLSA-N 1 3 327.476 3.456 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167754372 1383731394 /nfs/dbraw/zinc/73/13/94/1383731394.db2.gz XBKOSEBHVRORKN-QFNCUCFLSA-N 1 3 327.476 3.456 20 30 EGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262178 1385232321 /nfs/dbraw/zinc/23/23/21/1385232321.db2.gz CPZZEKCYBJOURK-LPHOPBHVSA-N 1 3 341.515 3.040 20 30 EGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001175740704 1385391650 /nfs/dbraw/zinc/39/16/50/1385391650.db2.gz UKGQZZNVWJLRHK-GOSISDBHSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1CCC ZINC001177335659 1385918185 /nfs/dbraw/zinc/91/81/85/1385918185.db2.gz JDVBSHHEXWYBAQ-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339900 1385920815 /nfs/dbraw/zinc/92/08/15/1385920815.db2.gz SZTOVTLINYJEIF-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415861 1385948921 /nfs/dbraw/zinc/94/89/21/1385948921.db2.gz MJZFOFDVNBJCHQ-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)C(C#N)Cc1cccs1 ZINC001177913139 1386081763 /nfs/dbraw/zinc/08/17/63/1386081763.db2.gz YAYQUHHIBIPXLG-KRWDZBQOSA-N 1 3 341.480 3.021 20 30 EGEDHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C(C#N)Cc1cccs1 ZINC001177913139 1386081767 /nfs/dbraw/zinc/08/17/67/1386081767.db2.gz YAYQUHHIBIPXLG-KRWDZBQOSA-N 1 3 341.480 3.021 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180372912 1386778081 /nfs/dbraw/zinc/77/80/81/1386778081.db2.gz NFQXNUWIDULKII-RTBURBONSA-N 1 3 337.552 3.482 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182814293 1387229240 /nfs/dbraw/zinc/22/92/40/1387229240.db2.gz UHBCOKLPUYTHGS-SFHLNBCPSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001182917656 1387246008 /nfs/dbraw/zinc/24/60/08/1387246008.db2.gz WEGBBBKCVHTKSE-UYAOXDASSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752538178 1440194448 /nfs/dbraw/zinc/19/44/48/1440194448.db2.gz FDURBYGZNITUGB-VNTMZGSJSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752538178 1440194449 /nfs/dbraw/zinc/19/44/49/1440194449.db2.gz FDURBYGZNITUGB-VNTMZGSJSA-N 1 3 347.547 3.137 20 30 EGEDHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753794629 1440489447 /nfs/dbraw/zinc/48/94/47/1440489447.db2.gz PPWZVIVJHCLWFX-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754568629 1440636689 /nfs/dbraw/zinc/63/66/89/1440636689.db2.gz GFHFDXRFSOBSHV-FQEVSTJZSA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001754568629 1440636690 /nfs/dbraw/zinc/63/66/90/1440636690.db2.gz GFHFDXRFSOBSHV-FQEVSTJZSA-N 1 3 337.552 3.221 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001754948414 1440714112 /nfs/dbraw/zinc/71/41/12/1440714112.db2.gz IQVMYEROUGFTDP-HNNXBMFYSA-N 1 3 340.471 3.194 20 30 EGEDHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001755079207 1440750322 /nfs/dbraw/zinc/75/03/22/1440750322.db2.gz YWBLIZNZOZEPHV-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001755079207 1440750323 /nfs/dbraw/zinc/75/03/23/1440750323.db2.gz YWBLIZNZOZEPHV-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000329968975 268088398 /nfs/dbraw/zinc/08/83/98/268088398.db2.gz XADDPOFYKKFDAB-MSOLQXFVSA-N 1 3 336.439 3.214 20 30 EGEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329968975 268088400 /nfs/dbraw/zinc/08/84/00/268088400.db2.gz XADDPOFYKKFDAB-MSOLQXFVSA-N 1 3 336.439 3.214 20 30 EGEDHO N#Cc1ccc([C@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121721119 454469571 /nfs/dbraw/zinc/46/95/71/454469571.db2.gz RHSSBDZKBIYAEH-OAQYLSRUSA-N 1 3 341.499 3.180 20 30 EGEDHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000075007455 454673786 /nfs/dbraw/zinc/67/37/86/454673786.db2.gz XDHONDPQUUIEPH-QGZVFWFLSA-N 1 3 329.488 3.442 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)C[C@H](C)O1 ZINC000126337431 454886911 /nfs/dbraw/zinc/88/69/11/454886911.db2.gz VZNFUOJMUICYIX-FWGXRIOKSA-N 1 3 341.499 3.089 20 30 EGEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000179738799 455072202 /nfs/dbraw/zinc/07/22/02/455072202.db2.gz KWBVLCXXWIDPKZ-UHFFFAOYSA-N 1 3 349.482 3.214 20 30 EGEDHO C=CCOc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000179987776 455111143 /nfs/dbraw/zinc/11/11/43/455111143.db2.gz PSZAABJQRWDKTD-UHFFFAOYSA-N 1 3 344.499 3.328 20 30 EGEDHO C#CCCOc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000180274408 455154298 /nfs/dbraw/zinc/15/42/98/455154298.db2.gz HBMHHGJEAYIYNM-UHFFFAOYSA-N 1 3 349.478 3.490 20 30 EGEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264059777 455188112 /nfs/dbraw/zinc/18/81/12/455188112.db2.gz CHGHNHWZJBKNOI-UHFFFAOYSA-N 1 3 340.471 3.464 20 30 EGEDHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000284309183 455667341 /nfs/dbraw/zinc/66/73/41/455667341.db2.gz JIGRDZQGWWMVOE-MSOLQXFVSA-N 1 3 327.472 3.332 20 30 EGEDHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286003579 455958501 /nfs/dbraw/zinc/95/85/01/455958501.db2.gz IUADDIDSYIGMOT-IBGZPJMESA-N 1 3 340.515 3.237 20 30 EGEDHO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCCC1 ZINC000287342274 456067191 /nfs/dbraw/zinc/06/71/91/456067191.db2.gz GJZYWMKIHPICKZ-UHFFFAOYSA-N 1 3 340.515 3.239 20 30 EGEDHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1C#N ZINC000289777219 456142423 /nfs/dbraw/zinc/14/24/23/456142423.db2.gz KFSVDUYCSUTWJT-IBGZPJMESA-N 1 3 336.483 3.289 20 30 EGEDHO CCC[N@H+](CC)C[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000353488610 456708441 /nfs/dbraw/zinc/70/84/41/456708441.db2.gz OIMIMJUPSFCZGE-SFHVURJKSA-N 1 3 342.531 3.233 20 30 EGEDHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000353488610 456708447 /nfs/dbraw/zinc/70/84/47/456708447.db2.gz OIMIMJUPSFCZGE-SFHVURJKSA-N 1 3 342.531 3.233 20 30 EGEDHO CC1CC[NH+](CCCCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433228816 457786359 /nfs/dbraw/zinc/78/63/59/457786359.db2.gz AXAPNRNSHLVKKI-HXUWFJFHSA-N 1 3 341.499 3.387 20 30 EGEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305651 457803455 /nfs/dbraw/zinc/80/34/55/457803455.db2.gz OIFQIIHMANRXLI-DMUMMCEESA-N 1 3 341.499 3.242 20 30 EGEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305651 457803459 /nfs/dbraw/zinc/80/34/59/457803459.db2.gz OIFQIIHMANRXLI-DMUMMCEESA-N 1 3 341.499 3.242 20 30 EGEDHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000423580910 458459653 /nfs/dbraw/zinc/45/96/53/458459653.db2.gz YMOMPEOZFXIGFF-SFHVURJKSA-N 1 3 348.494 3.202 20 30 EGEDHO C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)C(C)C ZINC000424448955 458645977 /nfs/dbraw/zinc/64/59/77/458645977.db2.gz ZGGJFGYRTDZZPW-IBGZPJMESA-N 1 3 344.503 3.274 20 30 EGEDHO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OCCN(C)C)c1 ZINC000595058194 459230602 /nfs/dbraw/zinc/23/06/02/459230602.db2.gz ZFMMFNFHTHJRML-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598714685 460002988 /nfs/dbraw/zinc/00/29/88/460002988.db2.gz IJVAYAFNEMMWBA-FXAWDEMLSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598714685 460002995 /nfs/dbraw/zinc/00/29/95/460002995.db2.gz IJVAYAFNEMMWBA-FXAWDEMLSA-N 1 3 343.515 3.451 20 30 EGEDHO C#CC[N@H+](C)CCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000815652591 1319037389 /nfs/dbraw/zinc/03/73/89/1319037389.db2.gz JIUJFCFYLUHFKS-MRXNPFEDSA-N 1 3 339.252 3.120 20 30 EGEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000815652591 1319037394 /nfs/dbraw/zinc/03/73/94/1319037394.db2.gz JIUJFCFYLUHFKS-MRXNPFEDSA-N 1 3 339.252 3.120 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413328 1319568983 /nfs/dbraw/zinc/56/89/83/1319568983.db2.gz YWWFANNTYWZSSM-UXHICEINSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961413328 1319568988 /nfs/dbraw/zinc/56/89/88/1319568988.db2.gz YWWFANNTYWZSSM-UXHICEINSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023695615 1319819827 /nfs/dbraw/zinc/81/98/27/1319819827.db2.gz COOZPYMZVWICML-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023695615 1319819840 /nfs/dbraw/zinc/81/98/40/1319819840.db2.gz COOZPYMZVWICML-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945088473 1332496587 /nfs/dbraw/zinc/49/65/87/1332496587.db2.gz BSLMMEKSWKMQML-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945088473 1332496589 /nfs/dbraw/zinc/49/65/89/1332496589.db2.gz BSLMMEKSWKMQML-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948065149 1333360796 /nfs/dbraw/zinc/36/07/96/1333360796.db2.gz HTKYGVYQWCKUKN-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948065149 1333360800 /nfs/dbraw/zinc/36/08/00/1333360800.db2.gz HTKYGVYQWCKUKN-PKOBYXMFSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681417 1336008949 /nfs/dbraw/zinc/00/89/49/1336008949.db2.gz JJOGTIMIQWGGNJ-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681417 1336008951 /nfs/dbraw/zinc/00/89/51/1336008951.db2.gz JJOGTIMIQWGGNJ-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016924235 1338771845 /nfs/dbraw/zinc/77/18/45/1338771845.db2.gz SISRAOSYTBXJGQ-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251791 1340513024 /nfs/dbraw/zinc/51/30/24/1340513024.db2.gz LUEREJIVGXAYEB-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001028251791 1340513026 /nfs/dbraw/zinc/51/30/26/1340513026.db2.gz LUEREJIVGXAYEB-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045829 1342186155 /nfs/dbraw/zinc/18/61/55/1342186155.db2.gz NPSNOWPUZQLGIV-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045829 1342186157 /nfs/dbraw/zinc/18/61/57/1342186157.db2.gz NPSNOWPUZQLGIV-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034481289 1342538250 /nfs/dbraw/zinc/53/82/50/1342538250.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034481289 1342538256 /nfs/dbraw/zinc/53/82/56/1342538256.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034481289 1342538257 /nfs/dbraw/zinc/53/82/57/1342538257.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481289 1342538260 /nfs/dbraw/zinc/53/82/60/1342538260.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476981 1347867632 /nfs/dbraw/zinc/86/76/32/1347867632.db2.gz DXPCNSRMIOOWFS-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476981 1347867633 /nfs/dbraw/zinc/86/76/33/1347867633.db2.gz DXPCNSRMIOOWFS-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763164 1348668542 /nfs/dbraw/zinc/66/85/42/1348668542.db2.gz DOPKVBJXUXIWJK-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763164 1348668544 /nfs/dbraw/zinc/66/85/44/1348668544.db2.gz DOPKVBJXUXIWJK-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141745 1349153045 /nfs/dbraw/zinc/15/30/45/1349153045.db2.gz ORDPGCSHGPTUQF-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141745 1349153047 /nfs/dbraw/zinc/15/30/47/1349153047.db2.gz ORDPGCSHGPTUQF-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458712 1356392142 /nfs/dbraw/zinc/39/21/42/1356392142.db2.gz NZBODYKUTKWDPB-QUCCMNQESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458712 1356392148 /nfs/dbraw/zinc/39/21/48/1356392148.db2.gz NZBODYKUTKWDPB-QUCCMNQESA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768115 1358304794 /nfs/dbraw/zinc/30/47/94/1358304794.db2.gz WDJAXBJWTBGYJH-VAMGGRTRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768115 1358304797 /nfs/dbraw/zinc/30/47/97/1358304797.db2.gz WDJAXBJWTBGYJH-VAMGGRTRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597743 1358623748 /nfs/dbraw/zinc/62/37/48/1358623748.db2.gz FHUKWJDGZKTZEQ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597743 1358623751 /nfs/dbraw/zinc/62/37/51/1358623751.db2.gz FHUKWJDGZKTZEQ-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099252672 1363715306 /nfs/dbraw/zinc/71/53/06/1363715306.db2.gz YZGNSAGZNKXQGE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099252672 1363715308 /nfs/dbraw/zinc/71/53/08/1363715308.db2.gz YZGNSAGZNKXQGE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@]2(C)C1 ZINC001101395812 1364544439 /nfs/dbraw/zinc/54/44/39/1364544439.db2.gz QOHIVJBOILQURQ-CTNGQTDRSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@]2(C)C1 ZINC001101395812 1364544443 /nfs/dbraw/zinc/54/44/43/1364544443.db2.gz QOHIVJBOILQURQ-CTNGQTDRSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330204 1365005499 /nfs/dbraw/zinc/00/54/99/1365005499.db2.gz ISBISNROOLNUSU-GUDVDZBRSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330204 1365005503 /nfs/dbraw/zinc/00/55/03/1365005503.db2.gz ISBISNROOLNUSU-GUDVDZBRSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185749221 1387788867 /nfs/dbraw/zinc/78/88/67/1387788867.db2.gz AWVLLHZWAPFINA-ZWKOTPCHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185760484 1387791753 /nfs/dbraw/zinc/79/17/53/1387791753.db2.gz AHXKXLBUQLFREN-OALUTQOASA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798657 1366801507 /nfs/dbraw/zinc/80/15/07/1366801507.db2.gz PCQFMYQJLWDDLV-WOJBJXKFSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001107427002 1366960903 /nfs/dbraw/zinc/96/09/03/1366960903.db2.gz ZFWVYTZKDMRYBN-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001107427002 1366960905 /nfs/dbraw/zinc/96/09/05/1366960905.db2.gz ZFWVYTZKDMRYBN-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111868896 1368516118 /nfs/dbraw/zinc/51/61/18/1368516118.db2.gz PZHYCZKSSJLPCF-NSHGMRRFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111868896 1368516122 /nfs/dbraw/zinc/51/61/22/1368516122.db2.gz PZHYCZKSSJLPCF-NSHGMRRFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275726 1368581813 /nfs/dbraw/zinc/58/18/13/1368581813.db2.gz MTFYICXYGULGKW-UXHICEINSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275726 1368581817 /nfs/dbraw/zinc/58/18/17/1368581817.db2.gz MTFYICXYGULGKW-UXHICEINSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507585 1370149150 /nfs/dbraw/zinc/14/91/50/1370149150.db2.gz TWWVSZIBPXWSBY-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203889135 1370299679 /nfs/dbraw/zinc/29/96/79/1370299679.db2.gz XUUMWMUEEVTEPF-KRWDZBQOSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287835 1371013251 /nfs/dbraw/zinc/01/32/51/1371013251.db2.gz KHTBYYFNNOTISA-UHFFFAOYSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCCCC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209202809 1372035601 /nfs/dbraw/zinc/03/56/01/1372035601.db2.gz QOARSFGLNCCAKW-UHFFFAOYSA-N 1 3 343.515 3.352 20 30 EGEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001121859733 1372105959 /nfs/dbraw/zinc/10/59/59/1372105959.db2.gz GWJIIXXXFMTWSO-MBEFBZSESA-N 1 3 347.547 3.233 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230287179 1375985814 /nfs/dbraw/zinc/98/58/14/1375985814.db2.gz YOHMWJUALABKTC-VAMGGRTRSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001230348972 1376005356 /nfs/dbraw/zinc/00/53/56/1376005356.db2.gz AGVAXUPLMJHQQK-KRWDZBQOSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156305560 1380555036 /nfs/dbraw/zinc/55/50/36/1380555036.db2.gz CMJIJSSSOLICMT-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156305560 1380555037 /nfs/dbraw/zinc/55/50/37/1380555037.db2.gz CMJIJSSSOLICMT-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160125519 1382004861 /nfs/dbraw/zinc/00/48/61/1382004861.db2.gz KCJQPQKBWXJCIB-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160125519 1382004867 /nfs/dbraw/zinc/00/48/67/1382004867.db2.gz KCJQPQKBWXJCIB-UHFFFAOYSA-N 1 3 347.547 3.356 20 30 EGEDHO CCOC(=O)CCCc1ccc(C#N)cc1NC1=CC2CCC(C1)[NH2+]2 ZINC001160222753 1382039596 /nfs/dbraw/zinc/03/95/96/1382039596.db2.gz NJECPCXBXGBMTC-SJORKVTESA-N 1 3 339.439 3.264 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406698 1382096007 /nfs/dbraw/zinc/09/60/07/1382096007.db2.gz SRBKSNFTPLRHOS-MJGOQNOKSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160406698 1382096010 /nfs/dbraw/zinc/09/60/10/1382096010.db2.gz SRBKSNFTPLRHOS-MJGOQNOKSA-N 1 3 335.536 3.066 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214074 1382344319 /nfs/dbraw/zinc/34/43/19/1382344319.db2.gz SBPIQLRMZVTIOZ-LJQANCHMSA-N 1 3 349.563 3.437 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214074 1382344324 /nfs/dbraw/zinc/34/43/24/1382344324.db2.gz SBPIQLRMZVTIOZ-LJQANCHMSA-N 1 3 349.563 3.437 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175572798 1385335697 /nfs/dbraw/zinc/33/56/97/1385335697.db2.gz MGJVKDWQYNQEJL-DLBZAZTESA-N 1 3 343.943 3.266 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C)CC1 ZINC001176738716 1385677474 /nfs/dbraw/zinc/67/74/74/1385677474.db2.gz RWRUZRJRSBPGIW-IBGZPJMESA-N 1 3 349.563 3.032 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001177434194 1385956256 /nfs/dbraw/zinc/95/62/56/1385956256.db2.gz SDSRMUGBCBSUOC-FQEVSTJZSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177484683 1385974458 /nfs/dbraw/zinc/97/44/58/1385974458.db2.gz HQLFXRGMQAWDPG-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001181477411 1387001376 /nfs/dbraw/zinc/00/13/76/1387001376.db2.gz YNGOVMHESYRZKT-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800889 1387057100 /nfs/dbraw/zinc/05/71/00/1387057100.db2.gz FYWBLDSGOJXODI-FTEYMNFISA-N 1 3 337.552 3.002 20 30 EGEDHO CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637585 1387199598 /nfs/dbraw/zinc/19/95/98/1387199598.db2.gz KPQFSPPIBCGJHY-WSTZPKSXSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001754549740 1440629648 /nfs/dbraw/zinc/62/96/48/1440629648.db2.gz RDRXSCRMJZVEFE-HXUWFJFHSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001754549740 1440629649 /nfs/dbraw/zinc/62/96/49/1440629649.db2.gz RDRXSCRMJZVEFE-HXUWFJFHSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001755133096 1440757632 /nfs/dbraw/zinc/75/76/32/1440757632.db2.gz BQJDKDGJTADZKU-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001755275608 1440798844 /nfs/dbraw/zinc/79/88/44/1440798844.db2.gz YMKPPEYHDMXBGC-LRYGQEGESA-N 1 3 335.536 3.185 20 30 EGEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954236 267179334 /nfs/dbraw/zinc/17/93/34/267179334.db2.gz PJLMAEOHPAZQGS-GKCIPKSASA-N 1 3 345.462 3.116 20 30 EGEDHO C=CCOc1c(Cl)cc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000623485421 460574525 /nfs/dbraw/zinc/57/45/25/460574525.db2.gz YKJRLNZDASNELK-UHFFFAOYSA-N 1 3 336.863 3.265 20 30 EGEDHO C=CCOc1c(Cl)cc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000623485421 460574531 /nfs/dbraw/zinc/57/45/31/460574531.db2.gz YKJRLNZDASNELK-UHFFFAOYSA-N 1 3 336.863 3.265 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000278251473 455797875 /nfs/dbraw/zinc/79/78/75/455797875.db2.gz MNDRDSLPWLYAAC-FQEVSTJZSA-N 1 3 328.504 3.017 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000280793653 456054056 /nfs/dbraw/zinc/05/40/56/456054056.db2.gz JVCHOBAKHBCXHK-KPFFTGBYSA-N 1 3 332.488 3.259 20 30 EGEDHO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000337201073 456337598 /nfs/dbraw/zinc/33/75/98/456337598.db2.gz FPMWJMTUXDCFDF-ZWKOTPCHSA-N 1 3 333.520 3.330 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 ZINC000353248504 456586044 /nfs/dbraw/zinc/58/60/44/456586044.db2.gz AXWTYVAVZUYUTJ-JXXFODFXSA-N 1 3 327.472 3.025 20 30 EGEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN2CCCO[C@H](C)C2)c1 ZINC000277214261 456727351 /nfs/dbraw/zinc/72/73/51/456727351.db2.gz FPDWZRRCEJNPOL-MRXNPFEDSA-N 1 3 332.492 3.038 20 30 EGEDHO CN1CCN(CC2(C)CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000370498355 457661585 /nfs/dbraw/zinc/66/15/85/457661585.db2.gz GVXQECBWIULSHZ-UHFFFAOYSA-N 1 3 334.552 3.056 20 30 EGEDHO Cc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C#N ZINC000443986222 457835163 /nfs/dbraw/zinc/83/51/63/457835163.db2.gz VQXUCGKVJKLEGM-UHFFFAOYSA-N 1 3 349.478 3.113 20 30 EGEDHO C[C@@H](NCc1ccc(C#N)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421893918 458423521 /nfs/dbraw/zinc/42/35/21/458423521.db2.gz XLSQEURQBLRKSY-CQSZACIVSA-N 1 3 329.469 3.411 20 30 EGEDHO C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000453391230 458525763 /nfs/dbraw/zinc/52/57/63/458525763.db2.gz SVRLZFXFQJLKII-OAHLLOKOSA-N 1 3 341.430 3.489 20 30 EGEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000377885201 458562590 /nfs/dbraw/zinc/56/25/90/458562590.db2.gz RQWJAOVTTOHTAB-LPHOPBHVSA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000377885201 458562595 /nfs/dbraw/zinc/56/25/95/458562595.db2.gz RQWJAOVTTOHTAB-LPHOPBHVSA-N 1 3 327.472 3.141 20 30 EGEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000424298153 458608501 /nfs/dbraw/zinc/60/85/01/458608501.db2.gz SBLGHMRKVZCZHX-FCMAGTKHSA-N 1 3 326.484 3.078 20 30 EGEDHO C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455901685 458619350 /nfs/dbraw/zinc/61/93/50/458619350.db2.gz GANACDOODABUEL-IBGZPJMESA-N 1 3 342.487 3.007 20 30 EGEDHO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512668213 458787623 /nfs/dbraw/zinc/78/76/23/458787623.db2.gz TYYWOWVHPQBBTL-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668213 458787631 /nfs/dbraw/zinc/78/76/31/458787631.db2.gz TYYWOWVHPQBBTL-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668213 458787639 /nfs/dbraw/zinc/78/76/39/458787639.db2.gz TYYWOWVHPQBBTL-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO CC1(C)CC(NC(=O)C(C#N)CCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000596705783 459735590 /nfs/dbraw/zinc/73/55/90/459735590.db2.gz CLPWWSSJGZAIDE-INIZCTEOSA-N 1 3 327.472 3.184 20 30 EGEDHO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OC ZINC000127276915 1293558317 /nfs/dbraw/zinc/55/83/17/1293558317.db2.gz INLQAVRQOGODBG-KRWDZBQOSA-N 1 3 330.472 3.224 20 30 EGEDHO C#CCOc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246993014 1296377877 /nfs/dbraw/zinc/37/78/77/1296377877.db2.gz KWOFJJWEUOOUDL-CEXWTWQISA-N 1 3 344.499 3.239 20 30 EGEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303723930 1296847850 /nfs/dbraw/zinc/84/78/50/1296847850.db2.gz ZJMVVDGEZDUPPJ-DGCLKSJQSA-N 1 3 343.302 3.443 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000303905970 1296877289 /nfs/dbraw/zinc/87/72/89/1296877289.db2.gz ZSASYTNZOPHXNG-MRXNPFEDSA-N 1 3 332.492 3.321 20 30 EGEDHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000902808275 1317619318 /nfs/dbraw/zinc/61/93/18/1317619318.db2.gz HNGGKPFSUOUYFH-YLJYHZDGSA-N 1 3 327.472 3.100 20 30 EGEDHO C=CCc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(O)c(OC)c1 ZINC000840085934 1321024718 /nfs/dbraw/zinc/02/47/18/1321024718.db2.gz IUVQSIKURKDJKE-HXUWFJFHSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(O)c(OC)c1 ZINC000840085934 1321024722 /nfs/dbraw/zinc/02/47/22/1321024722.db2.gz IUVQSIKURKDJKE-HXUWFJFHSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849113777 1322083462 /nfs/dbraw/zinc/08/34/62/1322083462.db2.gz JBVGMLSBMGCEJA-UHFFFAOYSA-N 1 3 328.504 3.367 20 30 EGEDHO C#CCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000850362760 1322234165 /nfs/dbraw/zinc/23/41/65/1322234165.db2.gz SFDOVYBFNIJHER-UHFFFAOYSA-N 1 3 349.478 3.095 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289250 1324112553 /nfs/dbraw/zinc/11/25/53/1324112553.db2.gz PAGCHMZUSPKWPP-DLBZAZTESA-N 1 3 344.503 3.109 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289250 1324112558 /nfs/dbraw/zinc/11/25/58/1324112558.db2.gz PAGCHMZUSPKWPP-DLBZAZTESA-N 1 3 344.503 3.109 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310256 1325093802 /nfs/dbraw/zinc/09/38/02/1325093802.db2.gz CVZQVRFSHKRMGW-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310256 1325093805 /nfs/dbraw/zinc/09/38/05/1325093805.db2.gz CVZQVRFSHKRMGW-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C[C@@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162844 1327900986 /nfs/dbraw/zinc/90/09/86/1327900986.db2.gz BACRWKSOQQQEOH-YLJYHZDGSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162844 1327900992 /nfs/dbraw/zinc/90/09/92/1327900992.db2.gz BACRWKSOQQQEOH-YLJYHZDGSA-N 1 3 349.482 3.008 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928539 1336092980 /nfs/dbraw/zinc/09/29/80/1336092980.db2.gz NJOGICKECYFMOH-WOJBJXKFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928539 1336092982 /nfs/dbraw/zinc/09/29/82/1336092982.db2.gz NJOGICKECYFMOH-WOJBJXKFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018303801 1339569780 /nfs/dbraw/zinc/56/97/80/1339569780.db2.gz BMJFOPCSRWOGTM-BGYRXZFFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045828 1342185652 /nfs/dbraw/zinc/18/56/52/1342185652.db2.gz NPSNOWPUZQLGIV-FQEVSTJZSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045828 1342185662 /nfs/dbraw/zinc/18/56/62/1342185662.db2.gz NPSNOWPUZQLGIV-FQEVSTJZSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360358 1342432079 /nfs/dbraw/zinc/43/20/79/1342432079.db2.gz HWPIFGSKZQAXLI-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360358 1342432081 /nfs/dbraw/zinc/43/20/81/1342432081.db2.gz HWPIFGSKZQAXLI-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035736547 1343161426 /nfs/dbraw/zinc/16/14/26/1343161426.db2.gz FTVCWYDCGLWDBU-UHFFFAOYSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736547 1343161427 /nfs/dbraw/zinc/16/14/27/1343161427.db2.gz FTVCWYDCGLWDBU-UHFFFAOYSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001037980900 1344217797 /nfs/dbraw/zinc/21/77/97/1344217797.db2.gz BGMSMELPHCNZOU-AZUAARDMSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180131 1344876601 /nfs/dbraw/zinc/87/66/01/1344876601.db2.gz LWNFVZMZZHEMPW-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180131 1344876604 /nfs/dbraw/zinc/87/66/04/1344876604.db2.gz LWNFVZMZZHEMPW-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039281613 1344995430 /nfs/dbraw/zinc/99/54/30/1344995430.db2.gz UMWLLLHSTOFHJH-YQQQUEKLSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044864470 1346448884 /nfs/dbraw/zinc/44/88/84/1346448884.db2.gz WYBHQSOUPDEFLC-CRAIPNDOSA-N 1 3 349.906 3.083 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954365 1348768413 /nfs/dbraw/zinc/76/84/13/1348768413.db2.gz NCZRWNSZHHGABG-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954365 1348768414 /nfs/dbraw/zinc/76/84/14/1348768414.db2.gz NCZRWNSZHHGABG-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099489 1355129349 /nfs/dbraw/zinc/12/93/49/1355129349.db2.gz RKMPXUHXRFYODN-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099489 1355129350 /nfs/dbraw/zinc/12/93/50/1355129350.db2.gz RKMPXUHXRFYODN-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942355 1359264124 /nfs/dbraw/zinc/26/41/24/1359264124.db2.gz OULLLHVOHYWGJO-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840781 1359675504 /nfs/dbraw/zinc/67/55/04/1359675504.db2.gz NRYMLBDKYWZVRD-VQTJNVASSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840781 1359675508 /nfs/dbraw/zinc/67/55/08/1359675508.db2.gz NRYMLBDKYWZVRD-VQTJNVASSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638978 1360552220 /nfs/dbraw/zinc/55/22/20/1360552220.db2.gz KUZSVQCVKTXKGH-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638978 1360552224 /nfs/dbraw/zinc/55/22/24/1360552224.db2.gz KUZSVQCVKTXKGH-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430147 1361799519 /nfs/dbraw/zinc/79/95/19/1361799519.db2.gz DVLBVNXSLPRDSN-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430147 1361799520 /nfs/dbraw/zinc/79/95/20/1361799520.db2.gz DVLBVNXSLPRDSN-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171572 1387633716 /nfs/dbraw/zinc/63/37/16/1387633716.db2.gz XFTHFDDZFXMSKO-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104196221 1365948127 /nfs/dbraw/zinc/94/81/27/1365948127.db2.gz NRMBBFPOPFBBCT-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563714 1366532774 /nfs/dbraw/zinc/53/27/74/1366532774.db2.gz RCWARDSWZYJUCO-OALUTQOASA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566495 1366534932 /nfs/dbraw/zinc/53/49/32/1366534932.db2.gz OGZUENLPZZNGJJ-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567094 1367047238 /nfs/dbraw/zinc/04/72/38/1367047238.db2.gz JNLGNBJQKUPBBG-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567094 1367047244 /nfs/dbraw/zinc/04/72/44/1367047244.db2.gz JNLGNBJQKUPBBG-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107582055 1367055882 /nfs/dbraw/zinc/05/58/82/1367055882.db2.gz UHVGYXLZBMEROJ-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107582055 1367055884 /nfs/dbraw/zinc/05/58/84/1367055884.db2.gz UHVGYXLZBMEROJ-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614471 1367073926 /nfs/dbraw/zinc/07/39/26/1367073926.db2.gz CGNYXFONVQSXGK-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614471 1367073932 /nfs/dbraw/zinc/07/39/32/1367073932.db2.gz CGNYXFONVQSXGK-TZIWHRDSSA-N 1 3 349.563 3.435 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996716 1367398485 /nfs/dbraw/zinc/39/84/85/1367398485.db2.gz IHLVSEGOKIGZKT-KRWDZBQOSA-N 1 3 325.541 3.220 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996716 1367398481 /nfs/dbraw/zinc/39/84/81/1367398481.db2.gz IHLVSEGOKIGZKT-KRWDZBQOSA-N 1 3 325.541 3.220 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108687960 1367533152 /nfs/dbraw/zinc/53/31/52/1367533152.db2.gz MMOPLIICGRVXKR-FHWLQOOXSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396757 1368805355 /nfs/dbraw/zinc/80/53/55/1368805355.db2.gz NCHFPUNMBQBCSM-PMACEKPBSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396757 1368805359 /nfs/dbraw/zinc/80/53/59/1368805359.db2.gz NCHFPUNMBQBCSM-PMACEKPBSA-N 1 3 347.547 3.284 20 30 EGEDHO C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)CC[C@@H]1C[NH3+] ZINC001205617475 1370812505 /nfs/dbraw/zinc/81/25/05/1370812505.db2.gz KENVZLIQEPEHGC-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2CCCC)CCCCC1 ZINC001119990092 1371444519 /nfs/dbraw/zinc/44/45/19/1371444519.db2.gz UFZDOKBNYUSNBJ-LJQANCHMSA-N 1 3 347.547 3.073 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC001121103541 1371855085 /nfs/dbraw/zinc/85/50/85/1371855085.db2.gz XQFJOEHDMXKQSD-SGPNKGFISA-N 1 3 347.547 3.231 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230335046 1376002409 /nfs/dbraw/zinc/00/24/09/1376002409.db2.gz IEJSIHZGJWHAJD-IAGOWNOFSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086209 1380772545 /nfs/dbraw/zinc/77/25/45/1380772545.db2.gz IVVVIQUXVJIGED-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086209 1380772548 /nfs/dbraw/zinc/77/25/48/1380772548.db2.gz IVVVIQUXVJIGED-QGZVFWFLSA-N 1 3 331.504 3.155 20 30 EGEDHO C[C@H]1CC([NH2+]Cc2ccc(C#N)nc2)C[C@H](C)N1Cc1ccccc1 ZINC001168034905 1383801237 /nfs/dbraw/zinc/80/12/37/1383801237.db2.gz RMSHDYOOZDUYNQ-IRXDYDNUSA-N 1 3 334.467 3.484 20 30 EGEDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)C[C@H](C)N1Cc1ccccc1 ZINC001168034906 1383801530 /nfs/dbraw/zinc/80/15/30/1383801530.db2.gz RMSHDYOOZDUYNQ-UPHUGPLXSA-N 1 3 334.467 3.484 20 30 EGEDHO COc1ccc(C2(N)CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305480 1384764605 /nfs/dbraw/zinc/76/46/05/1384764605.db2.gz SOLIXVLOKLUFHX-QGZVFWFLSA-N 1 3 349.478 3.448 20 30 EGEDHO C=CCOC1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001173316291 1384957059 /nfs/dbraw/zinc/95/70/59/1384957059.db2.gz DYXVPCVFAREIDO-UHFFFAOYSA-N 1 3 343.515 3.397 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623119 1387198265 /nfs/dbraw/zinc/19/82/65/1387198265.db2.gz CAIZWSOFEQKZSW-DBXWQHBBSA-N 1 3 349.563 3.147 20 30 EGEDHO CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001733800188 1430066830 /nfs/dbraw/zinc/06/68/30/1430066830.db2.gz BFILNHHIIHBBTI-GOSISDBHSA-N 1 3 337.552 3.412 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001754351351 1440590938 /nfs/dbraw/zinc/59/09/38/1440590938.db2.gz NQZFSFLQKPXBTD-UXHICEINSA-N 1 3 343.515 3.203 20 30 EGEDHO C=CCN1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755365400 1440833993 /nfs/dbraw/zinc/83/39/93/1440833993.db2.gz FCGUFHBPQFXDND-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755733598 1440910591 /nfs/dbraw/zinc/91/05/91/1440910591.db2.gz LIYSOLCBBVIVAC-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc(C#N)cc1 ZINC000266521275 248342987 /nfs/dbraw/zinc/34/29/87/248342987.db2.gz ZLHLHERYONFDAI-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093769478 162025623 /nfs/dbraw/zinc/02/56/23/162025623.db2.gz QHYQPNLQXOTCGO-UHFFFAOYSA-N 1 3 335.517 3.190 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093769478 162025626 /nfs/dbraw/zinc/02/56/26/162025626.db2.gz QHYQPNLQXOTCGO-UHFFFAOYSA-N 1 3 335.517 3.190 20 30 EGEDHO N#Cc1csc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177696043 323344172 /nfs/dbraw/zinc/34/41/72/323344172.db2.gz QVYDMCOCEMTLEQ-QGZVFWFLSA-N 1 3 325.481 3.274 20 30 EGEDHO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185705043 455600840 /nfs/dbraw/zinc/60/08/40/455600840.db2.gz XCDUSJDHLRJIGJ-AEFFLSMTSA-N 1 3 327.472 3.180 20 30 EGEDHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000278251479 455798504 /nfs/dbraw/zinc/79/85/04/455798504.db2.gz MNDRDSLPWLYAAC-HXUWFJFHSA-N 1 3 328.504 3.017 20 30 EGEDHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278886597 455851474 /nfs/dbraw/zinc/85/14/74/455851474.db2.gz YHPJCVACYNEIHK-LJQANCHMSA-N 1 3 338.455 3.135 20 30 EGEDHO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000337201072 456337703 /nfs/dbraw/zinc/33/77/03/456337703.db2.gz FPMWJMTUXDCFDF-ROUUACIJSA-N 1 3 333.520 3.330 20 30 EGEDHO C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000344770955 456857359 /nfs/dbraw/zinc/85/73/59/456857359.db2.gz JIBRQVZFBRKSEF-IEBWSBKVSA-N 1 3 339.483 3.092 20 30 EGEDHO C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000344770955 456857364 /nfs/dbraw/zinc/85/73/64/456857364.db2.gz JIBRQVZFBRKSEF-IEBWSBKVSA-N 1 3 339.483 3.092 20 30 EGEDHO N#C[C@@H]1CCC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000361467418 457741007 /nfs/dbraw/zinc/74/10/07/457741007.db2.gz UUGMVOVHTJRSCA-RTBURBONSA-N 1 3 327.472 3.333 20 30 EGEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305655 457803515 /nfs/dbraw/zinc/80/35/15/457803515.db2.gz OIFQIIHMANRXLI-RMJJICAUSA-N 1 3 341.499 3.242 20 30 EGEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305655 457803517 /nfs/dbraw/zinc/80/35/17/457803517.db2.gz OIFQIIHMANRXLI-RMJJICAUSA-N 1 3 341.499 3.242 20 30 EGEDHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)ccc1C#N ZINC000443976179 457832647 /nfs/dbraw/zinc/83/26/47/457832647.db2.gz CFLNILUCEVIHTJ-UHFFFAOYSA-N 1 3 337.467 3.487 20 30 EGEDHO CC(CCN1CCC(F)(C#N)CC1)CC[NH+]1CCC(F)(C#N)CC1 ZINC000411722543 457961864 /nfs/dbraw/zinc/96/18/64/457961864.db2.gz QWBFWCZNZYYHHM-UHFFFAOYSA-N 1 3 338.446 3.058 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512617775 458787525 /nfs/dbraw/zinc/78/75/25/458787525.db2.gz GRXHBZJGMFUGDM-UWHLTILDSA-N 1 3 328.500 3.061 20 30 EGEDHO C[C@H]1C[C@H](CCNCc2cccc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000602578096 460005681 /nfs/dbraw/zinc/00/56/81/460005681.db2.gz YYKHBJARVBYXLC-HKUYNNGSSA-N 1 3 334.467 3.344 20 30 EGEDHO C[C@H]1C[C@H](CCNCc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578096 460005687 /nfs/dbraw/zinc/00/56/87/460005687.db2.gz YYKHBJARVBYXLC-HKUYNNGSSA-N 1 3 334.467 3.344 20 30 EGEDHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618743060 460151817 /nfs/dbraw/zinc/15/18/17/460151817.db2.gz VNPJIXVAZSFUHF-NRFANRHFSA-N 1 3 335.451 3.276 20 30 EGEDHO CC[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000303876139 1296866556 /nfs/dbraw/zinc/86/65/56/1296866556.db2.gz DQTUTNIWCMRLLP-CYBMUJFWSA-N 1 3 344.381 3.186 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)cc1 ZINC000303885205 1296867184 /nfs/dbraw/zinc/86/71/84/1296867184.db2.gz JNQVKIYBZBKITO-JKSUJKDBSA-N 1 3 332.492 3.321 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000303905966 1296877335 /nfs/dbraw/zinc/87/73/35/1296877335.db2.gz ZSASYTNZOPHXNG-INIZCTEOSA-N 1 3 332.492 3.321 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762517 1319908191 /nfs/dbraw/zinc/90/81/91/1319908191.db2.gz YNEYRPZWJYZWPY-IBGZPJMESA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762517 1319908195 /nfs/dbraw/zinc/90/81/95/1319908195.db2.gz YNEYRPZWJYZWPY-IBGZPJMESA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034290206 1342376439 /nfs/dbraw/zinc/37/64/39/1342376439.db2.gz YSCWJMZDRLGQTA-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034290206 1342376442 /nfs/dbraw/zinc/37/64/42/1342376442.db2.gz YSCWJMZDRLGQTA-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360362 1342431921 /nfs/dbraw/zinc/43/19/21/1342431921.db2.gz HWPIFGSKZQAXLI-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360362 1342431925 /nfs/dbraw/zinc/43/19/25/1342431925.db2.gz HWPIFGSKZQAXLI-QUCCMNQESA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716919 1343649257 /nfs/dbraw/zinc/64/92/57/1343649257.db2.gz NQWBVFLZRZSMAE-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716919 1343649277 /nfs/dbraw/zinc/64/92/77/1343649277.db2.gz NQWBVFLZRZSMAE-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545601 1345539793 /nfs/dbraw/zinc/53/97/93/1345539793.db2.gz RRZRAYSPZLVQDO-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545601 1345539797 /nfs/dbraw/zinc/53/97/97/1345539797.db2.gz RRZRAYSPZLVQDO-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088536 1348914250 /nfs/dbraw/zinc/91/42/50/1348914250.db2.gz XCZHXPWDEZPHRE-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088536 1348914252 /nfs/dbraw/zinc/91/42/52/1348914252.db2.gz XCZHXPWDEZPHRE-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095510 1355126670 /nfs/dbraw/zinc/12/66/70/1355126670.db2.gz JNFUCSJJNPNTMB-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095510 1355126672 /nfs/dbraw/zinc/12/66/72/1355126672.db2.gz JNFUCSJJNPNTMB-YLJYHZDGSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001086850069 1359213516 /nfs/dbraw/zinc/21/35/16/1359213516.db2.gz OPYAIZRQYNQGAJ-OTWHNJEPSA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400815 1360400729 /nfs/dbraw/zinc/40/07/29/1360400729.db2.gz LIJOJWDFVDPLEW-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400815 1360400731 /nfs/dbraw/zinc/40/07/31/1360400731.db2.gz LIJOJWDFVDPLEW-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649503 1360563023 /nfs/dbraw/zinc/56/30/23/1360563023.db2.gz KLCGBSIFZWVUGJ-RTBURBONSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649503 1360563025 /nfs/dbraw/zinc/56/30/25/1360563025.db2.gz KLCGBSIFZWVUGJ-RTBURBONSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116498 1363633397 /nfs/dbraw/zinc/63/33/97/1363633397.db2.gz SDWATTHTWQPCPH-MSOLQXFVSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116498 1363633399 /nfs/dbraw/zinc/63/33/99/1363633399.db2.gz SDWATTHTWQPCPH-MSOLQXFVSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099371819 1363777478 /nfs/dbraw/zinc/77/74/78/1363777478.db2.gz JKKOYLJUMIRRJY-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368614 1364530422 /nfs/dbraw/zinc/53/04/22/1364530422.db2.gz DLCCIUKQBLIYIR-UEXGIBASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368614 1364530428 /nfs/dbraw/zinc/53/04/28/1364530428.db2.gz DLCCIUKQBLIYIR-UEXGIBASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357297 1387691175 /nfs/dbraw/zinc/69/11/75/1387691175.db2.gz BYQPVXGERWSJDB-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001101575877 1364629803 /nfs/dbraw/zinc/62/98/03/1364629803.db2.gz KKPFRQQEIZREJV-SFHVURJKSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105574999 1366539840 /nfs/dbraw/zinc/53/98/40/1366539840.db2.gz OMOQPTNVSVRHDW-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371560 1367091307 /nfs/dbraw/zinc/09/13/07/1367091307.db2.gz JTQCMDUMCCPKCO-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371560 1367091312 /nfs/dbraw/zinc/09/13/12/1367091312.db2.gz JTQCMDUMCCPKCO-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114984294 1370191976 /nfs/dbraw/zinc/19/19/76/1370191976.db2.gz CGDWXMQBNIHWSB-KXTWHKPSSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114984294 1370191978 /nfs/dbraw/zinc/19/19/78/1370191978.db2.gz CGDWXMQBNIHWSB-KXTWHKPSSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203889136 1370299907 /nfs/dbraw/zinc/29/99/07/1370299907.db2.gz XUUMWMUEEVTEPF-QGZVFWFLSA-N 1 3 343.515 3.297 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203902642 1370308057 /nfs/dbraw/zinc/30/80/57/1370308057.db2.gz HJIJLTMBVLGLBL-IBGZPJMESA-N 1 3 337.552 3.412 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCCC1 ZINC001115563415 1370562767 /nfs/dbraw/zinc/56/27/67/1370562767.db2.gz UDHLHEBFBRIBMV-SFHVURJKSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115572934 1370574989 /nfs/dbraw/zinc/57/49/89/1370574989.db2.gz ABUKLACBCODWTR-IBGZPJMESA-N 1 3 349.563 3.482 20 30 EGEDHO C[C@]1(C[NH3+])CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC001206311204 1371017390 /nfs/dbraw/zinc/01/73/90/1371017390.db2.gz LAUCYLJHIKEHCM-INIZCTEOSA-N 1 3 336.277 3.272 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207795944 1371506388 /nfs/dbraw/zinc/50/63/88/1371506388.db2.gz PHRZINNFOLNKPT-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207795944 1371506393 /nfs/dbraw/zinc/50/63/93/1371506393.db2.gz PHRZINNFOLNKPT-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429787 1371573400 /nfs/dbraw/zinc/57/34/00/1371573400.db2.gz BDTOIRWSLXBSEP-WOJBJXKFSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001120429787 1371573403 /nfs/dbraw/zinc/57/34/03/1371573403.db2.gz BDTOIRWSLXBSEP-WOJBJXKFSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001122004980 1372150608 /nfs/dbraw/zinc/15/06/08/1372150608.db2.gz CPFLBOIPMQDJLL-VQIMIIECSA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001122004980 1372150611 /nfs/dbraw/zinc/15/06/11/1372150611.db2.gz CPFLBOIPMQDJLL-VQIMIIECSA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110835 1388461732 /nfs/dbraw/zinc/46/17/32/1388461732.db2.gz UKGVDYBHUXKDSS-XUVXKRRUSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110835 1388461734 /nfs/dbraw/zinc/46/17/34/1388461734.db2.gz UKGVDYBHUXKDSS-XUVXKRRUSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148386695 1379161525 /nfs/dbraw/zinc/16/15/25/1379161525.db2.gz ZHWVZLRZBIIWPV-RTBURBONSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148386695 1379161529 /nfs/dbraw/zinc/16/15/29/1379161529.db2.gz ZHWVZLRZBIIWPV-RTBURBONSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481008 1381260543 /nfs/dbraw/zinc/26/05/43/1381260543.db2.gz VONUJXNVRZWTLE-RBUKOAKNSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481008 1381260554 /nfs/dbraw/zinc/26/05/54/1381260554.db2.gz VONUJXNVRZWTLE-RBUKOAKNSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133683 1382313087 /nfs/dbraw/zinc/31/30/87/1382313087.db2.gz MSHNVMIKGZSDMG-HXUWFJFHSA-N 1 3 349.563 3.457 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133683 1382313091 /nfs/dbraw/zinc/31/30/91/1382313091.db2.gz MSHNVMIKGZSDMG-HXUWFJFHSA-N 1 3 349.563 3.457 20 30 EGEDHO CCCCCCCCCCN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161221013 1382346088 /nfs/dbraw/zinc/34/60/88/1382346088.db2.gz HSNVNGMBWZEKRX-GOSISDBHSA-N 1 3 337.552 3.460 20 30 EGEDHO CCCCCCCCCCN(C)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161221013 1382346091 /nfs/dbraw/zinc/34/60/91/1382346091.db2.gz HSNVNGMBWZEKRX-GOSISDBHSA-N 1 3 337.552 3.460 20 30 EGEDHO C=CCCCCCCCCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161442739 1382412442 /nfs/dbraw/zinc/41/24/42/1382412442.db2.gz GERFKUYJHNOWMY-IBGZPJMESA-N 1 3 337.552 3.435 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952962 1382569304 /nfs/dbraw/zinc/56/93/04/1382569304.db2.gz MYCPOKUKEHDVOL-ICSRJNTNSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952962 1382569312 /nfs/dbraw/zinc/56/93/12/1382569312.db2.gz MYCPOKUKEHDVOL-ICSRJNTNSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCOC1CCC(N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001173325688 1384959260 /nfs/dbraw/zinc/95/92/60/1384959260.db2.gz PICJIQIXPBKSCC-UHFFFAOYSA-N 1 3 336.520 3.075 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295136 1385242477 /nfs/dbraw/zinc/24/24/77/1385242477.db2.gz BZBRNXZTESKCMF-QGZVFWFLSA-N 1 3 325.541 3.195 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C)CC1 ZINC001176739263 1385677469 /nfs/dbraw/zinc/67/74/69/1385677469.db2.gz WGPZWCGEJMOPDF-GOSISDBHSA-N 1 3 349.563 3.032 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339528 1385919458 /nfs/dbraw/zinc/91/94/58/1385919458.db2.gz JFZJOXCQVTUAIJ-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177415705 1385948866 /nfs/dbraw/zinc/94/88/66/1385948866.db2.gz IWADIPPUQGYZTC-IBGZPJMESA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCCC[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178490350 1386234329 /nfs/dbraw/zinc/23/43/29/1386234329.db2.gz KIUBNIRGQMSIKK-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO C=C(C)CN[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001753312492 1440357158 /nfs/dbraw/zinc/35/71/58/1440357158.db2.gz SBUXRABLCSKFOK-AZUAARDMSA-N 1 3 343.515 3.274 20 30 EGEDHO C=C(C)CN[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001753312494 1440357203 /nfs/dbraw/zinc/35/72/03/1440357203.db2.gz SBUXRABLCSKFOK-QUCCMNQESA-N 1 3 343.515 3.274 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001754731724 1440679606 /nfs/dbraw/zinc/67/96/06/1440679606.db2.gz XFLRIEDCNJLKNS-FPOVZHCZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001754731724 1440679607 /nfs/dbraw/zinc/67/96/07/1440679607.db2.gz XFLRIEDCNJLKNS-FPOVZHCZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001755079209 1440750204 /nfs/dbraw/zinc/75/02/04/1440750204.db2.gz YWBLIZNZOZEPHV-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001755079209 1440750205 /nfs/dbraw/zinc/75/02/05/1440750205.db2.gz YWBLIZNZOZEPHV-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544708 266152494 /nfs/dbraw/zinc/15/24/94/266152494.db2.gz YYCYGVBJSHESLK-DZGCQCFKSA-N 1 3 334.489 3.402 20 30 EGEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544708 266152497 /nfs/dbraw/zinc/15/24/97/266152497.db2.gz YYCYGVBJSHESLK-DZGCQCFKSA-N 1 3 334.489 3.402 20 30 EGEDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(C#N)c1 ZINC000181541614 455352574 /nfs/dbraw/zinc/35/25/74/455352574.db2.gz RCXCAWYWYNNOQS-GOSISDBHSA-N 1 3 348.494 3.156 20 30 EGEDHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353426929 456692421 /nfs/dbraw/zinc/69/24/21/456692421.db2.gz NOSBTBTUSKJEDW-NRFANRHFSA-N 1 3 335.451 3.276 20 30 EGEDHO C=CCc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc(OC)c1O ZINC000347045678 457202628 /nfs/dbraw/zinc/20/26/28/457202628.db2.gz NWVUUSWBIPNCGU-GOSISDBHSA-N 1 3 330.472 3.093 20 30 EGEDHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449446800 458424446 /nfs/dbraw/zinc/42/44/46/458424446.db2.gz UHOWXOCXKFJHAR-HKUYNNGSSA-N 1 3 326.488 3.000 20 30 EGEDHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000442718312 459025645 /nfs/dbraw/zinc/02/56/45/459025645.db2.gz LGDSOEJQNBUENF-SJLPKXTDSA-N 1 3 345.487 3.198 20 30 EGEDHO N#C[C@@H]1CC[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000442783360 459035764 /nfs/dbraw/zinc/03/57/64/459035764.db2.gz QAFYFQMYNMOKNJ-UXHICEINSA-N 1 3 341.499 3.340 20 30 EGEDHO N#Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1Cl ZINC000590964535 459284206 /nfs/dbraw/zinc/28/42/06/459284206.db2.gz GKELUBBHAZSISS-UHFFFAOYSA-N 1 3 326.831 3.365 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000591572117 459404731 /nfs/dbraw/zinc/40/47/31/459404731.db2.gz SXIVGYLUIOBSPZ-HJZRJOMTSA-N 1 3 327.472 3.355 20 30 EGEDHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815550 460984328 /nfs/dbraw/zinc/98/43/28/460984328.db2.gz WVWSFYBHJBYPMZ-UZLBHIALSA-N 1 3 327.472 3.026 20 30 EGEDHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815550 460984334 /nfs/dbraw/zinc/98/43/34/460984334.db2.gz WVWSFYBHJBYPMZ-UZLBHIALSA-N 1 3 327.472 3.026 20 30 EGEDHO C[C@H]1CCCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104168266 1293018227 /nfs/dbraw/zinc/01/82/27/1293018227.db2.gz QMCZIRMPGJSGSR-LBPRGKRZSA-N 1 3 344.381 3.044 20 30 EGEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000303866107 1296863437 /nfs/dbraw/zinc/86/34/37/1296863437.db2.gz CGKXVWISQMJIQR-MRXNPFEDSA-N 1 3 348.491 3.085 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000303891291 1296871420 /nfs/dbraw/zinc/87/14/20/1296871420.db2.gz MYXKNDBMFQXSLS-JKSUJKDBSA-N 1 3 332.492 3.463 20 30 EGEDHO CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000305034507 1296954583 /nfs/dbraw/zinc/95/45/83/1296954583.db2.gz SBJVFCXUMIXQHV-WMZOPIPTSA-N 1 3 346.519 3.061 20 30 EGEDHO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000402403810 1297745988 /nfs/dbraw/zinc/74/59/88/1297745988.db2.gz RYUJVUUWTORFOT-IRLDBZIGSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000402403810 1297745992 /nfs/dbraw/zinc/74/59/92/1297745992.db2.gz RYUJVUUWTORFOT-IRLDBZIGSA-N 1 3 349.478 3.046 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902871414 1317625169 /nfs/dbraw/zinc/62/51/69/1317625169.db2.gz NWPKVSLJTHOQCU-ZWOKBUDYSA-N 1 3 329.488 3.488 20 30 EGEDHO C#CC(C)(C)N(C)Cc1cc(C[N@H+](C)C(C)(C)C#C)cc(OC)c1 ZINC000814634810 1318791036 /nfs/dbraw/zinc/79/10/36/1318791036.db2.gz ZZTCVFVSTRVXGL-UHFFFAOYSA-N 1 3 326.484 3.382 20 30 EGEDHO C#CC(C)(C)N(C)Cc1cc(C[N@@H+](C)C(C)(C)C#C)cc(OC)c1 ZINC000814634810 1318791042 /nfs/dbraw/zinc/79/10/42/1318791042.db2.gz ZZTCVFVSTRVXGL-UHFFFAOYSA-N 1 3 326.484 3.382 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696333 1319821952 /nfs/dbraw/zinc/82/19/52/1319821952.db2.gz KTXAOQNHWYJVQJ-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696333 1319821961 /nfs/dbraw/zinc/82/19/61/1319821961.db2.gz KTXAOQNHWYJVQJ-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C[N@@H+]1CCC[C@H](CCNCc2cc(C#N)ccc2Br)C1 ZINC000922181519 1322473537 /nfs/dbraw/zinc/47/35/37/1322473537.db2.gz SWMKSWODLVFTDU-CYBMUJFWSA-N 1 3 336.277 3.142 20 30 EGEDHO C[N@H+]1CCC[C@H](CCNCc2cc(C#N)ccc2Br)C1 ZINC000922181519 1322473538 /nfs/dbraw/zinc/47/35/38/1322473538.db2.gz SWMKSWODLVFTDU-CYBMUJFWSA-N 1 3 336.277 3.142 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155986 1336165326 /nfs/dbraw/zinc/16/53/26/1336165326.db2.gz GQJNVALKGYZKKD-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155986 1336165330 /nfs/dbraw/zinc/16/53/30/1336165330.db2.gz GQJNVALKGYZKKD-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016924232 1338771573 /nfs/dbraw/zinc/77/15/73/1338771573.db2.gz SISRAOSYTBXJGQ-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001034795791 1342762178 /nfs/dbraw/zinc/76/21/78/1342762178.db2.gz SPUQHRXQHIITMN-QAQDUYKDSA-N 1 3 349.906 3.131 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037848177 1344135991 /nfs/dbraw/zinc/13/59/91/1344135991.db2.gz BBZAOCARBSTXNN-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943889 1346779335 /nfs/dbraw/zinc/77/93/35/1346779335.db2.gz QUFBIHQVOXUKEP-HXUWFJFHSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943889 1346779338 /nfs/dbraw/zinc/77/93/38/1346779338.db2.gz QUFBIHQVOXUKEP-HXUWFJFHSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958273 1346793679 /nfs/dbraw/zinc/79/36/79/1346793679.db2.gz ODBUYTYCTHMNAD-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958273 1346793680 /nfs/dbraw/zinc/79/36/80/1346793680.db2.gz ODBUYTYCTHMNAD-OAQYLSRUSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001085432187 1358498481 /nfs/dbraw/zinc/49/84/81/1358498481.db2.gz MMJMEAARCGHAMD-QZTJIDSGSA-N 1 3 349.906 3.131 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781902 1358757399 /nfs/dbraw/zinc/75/73/99/1358757399.db2.gz HWILRNMKRXXKRD-VQTJNVASSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781902 1358757401 /nfs/dbraw/zinc/75/74/01/1358757401.db2.gz HWILRNMKRXXKRD-VQTJNVASSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088811877 1360060801 /nfs/dbraw/zinc/06/08/01/1360060801.db2.gz AHHGXLOGTMBOTK-YZGWKJHDSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088811877 1360060806 /nfs/dbraw/zinc/06/08/06/1360060806.db2.gz AHHGXLOGTMBOTK-YZGWKJHDSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735490 1360640312 /nfs/dbraw/zinc/64/03/12/1360640312.db2.gz MCYQXNQPYLYQPN-IBGZPJMESA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100319419 1364079232 /nfs/dbraw/zinc/07/92/32/1364079232.db2.gz LIPOZERVOBCOHN-CTWPCTMYSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001185317415 1387681292 /nfs/dbraw/zinc/68/12/92/1387681292.db2.gz PHLGEXCGHYECAL-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595570 1364645975 /nfs/dbraw/zinc/64/59/75/1364645975.db2.gz IMHIDGAQIINDNW-SFHVURJKSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595569 1364646177 /nfs/dbraw/zinc/64/61/77/1364646177.db2.gz IMHIDGAQIINDNW-GOSISDBHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001101597736 1364648633 /nfs/dbraw/zinc/64/86/33/1364648633.db2.gz ZMXWDWRBLQYDQO-IBGZPJMESA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104290811 1365977298 /nfs/dbraw/zinc/97/72/98/1365977298.db2.gz FBEZHNOAMWKFBT-RLLQIKCJSA-N 1 3 349.563 3.147 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741355 1387787891 /nfs/dbraw/zinc/78/78/91/1387787891.db2.gz JWILPRWXVNEKSZ-PXNSSMCTSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104803214 1366179772 /nfs/dbraw/zinc/17/97/72/1366179772.db2.gz QQSOQIBDURYCFI-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566025 1366534268 /nfs/dbraw/zinc/53/42/68/1366534268.db2.gz DWZVSTMWPNPALW-SFHVURJKSA-N 1 3 344.503 3.059 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110158091 1367530395 /nfs/dbraw/zinc/53/03/95/1367530395.db2.gz HDNQPRHCUKYGGA-FUMNGEBKSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110158091 1367530399 /nfs/dbraw/zinc/53/03/99/1367530399.db2.gz HDNQPRHCUKYGGA-FUMNGEBKSA-N 1 3 347.547 3.185 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738647 1367955084 /nfs/dbraw/zinc/95/50/84/1367955084.db2.gz MKTFBWUTJLWTJD-KURKYZTESA-N 1 3 337.552 3.409 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738647 1367955087 /nfs/dbraw/zinc/95/50/87/1367955087.db2.gz MKTFBWUTJLWTJD-KURKYZTESA-N 1 3 337.552 3.409 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869871 1368517216 /nfs/dbraw/zinc/51/72/16/1368517216.db2.gz OAFQZPRKFMTLNU-BJLQDIEVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869871 1368517218 /nfs/dbraw/zinc/51/72/18/1368517218.db2.gz OAFQZPRKFMTLNU-BJLQDIEVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001198243811 1368988004 /nfs/dbraw/zinc/98/80/04/1368988004.db2.gz OCJCZMIIOWYRAH-GOSISDBHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001198243811 1368988008 /nfs/dbraw/zinc/98/80/08/1368988008.db2.gz OCJCZMIIOWYRAH-GOSISDBHSA-N 1 3 343.515 3.251 20 30 EGEDHO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001203902680 1370308028 /nfs/dbraw/zinc/30/80/28/1370308028.db2.gz KBHBWLCARRHSCT-FGZHOGPDSA-N 1 3 331.463 3.431 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCCC1 ZINC001115538663 1370535501 /nfs/dbraw/zinc/53/55/01/1370535501.db2.gz RTAUSIQFXZIKFC-UHFFFAOYSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCCC1 ZINC001115562925 1370562953 /nfs/dbraw/zinc/56/29/53/1370562953.db2.gz LOCCZHCCQUHAAJ-SFHVURJKSA-N 1 3 335.536 3.236 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661911 1370645826 /nfs/dbraw/zinc/64/58/26/1370645826.db2.gz UWAPBBYGBNJGPR-UHFFFAOYSA-N 1 3 341.927 3.022 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274307 1371009935 /nfs/dbraw/zinc/00/99/35/1371009935.db2.gz HWKSWOIEXFULSE-GOSISDBHSA-N 1 3 337.552 3.269 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933337 1371952187 /nfs/dbraw/zinc/95/21/87/1371952187.db2.gz DOVBNVCJLXGFJO-IEBWSBKVSA-N 1 3 342.508 3.173 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933337 1371952193 /nfs/dbraw/zinc/95/21/93/1371952193.db2.gz DOVBNVCJLXGFJO-IEBWSBKVSA-N 1 3 342.508 3.173 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001122242814 1372210420 /nfs/dbraw/zinc/21/04/20/1372210420.db2.gz QLYOZQDQNCAUCJ-CGAYHSHTSA-N 1 3 347.547 3.233 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183038 1372289904 /nfs/dbraw/zinc/28/99/04/1372289904.db2.gz KFJUSJHMJRVHJU-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611212 1373089268 /nfs/dbraw/zinc/08/92/68/1373089268.db2.gz UOFLTQQUZNXVCZ-GUDVDZBRSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120901 1375786801 /nfs/dbraw/zinc/78/68/01/1375786801.db2.gz CDWCIIPJRTUJKS-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133186665 1375831872 /nfs/dbraw/zinc/83/18/72/1375831872.db2.gz YNCDJLCDIZNWGI-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265646 1376796004 /nfs/dbraw/zinc/79/60/04/1376796004.db2.gz KFTGESBTMROMIP-MOPGFXCFSA-N 1 3 337.552 3.362 20 30 EGEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265646 1376796009 /nfs/dbraw/zinc/79/60/09/1376796009.db2.gz KFTGESBTMROMIP-MOPGFXCFSA-N 1 3 337.552 3.362 20 30 EGEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323682 1376808833 /nfs/dbraw/zinc/80/88/33/1376808833.db2.gz SCTAPCCNEUEXSS-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323682 1376808837 /nfs/dbraw/zinc/80/88/37/1376808837.db2.gz SCTAPCCNEUEXSS-ICSRJNTNSA-N 1 3 347.547 3.140 20 30 EGEDHO CN1CC2(C1)CC[NH+](Cc1ccc(-c3cc(C#N)ccn3)cc1)CC2 ZINC001139405515 1377880303 /nfs/dbraw/zinc/88/03/03/1377880303.db2.gz SGFUPNVYEDFUHE-UHFFFAOYSA-N 1 3 332.451 3.148 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146581017 1378871308 /nfs/dbraw/zinc/87/13/08/1378871308.db2.gz BPAAYAFZSSUQHR-IAGOWNOFSA-N 1 3 331.504 3.201 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770392 1384382871 /nfs/dbraw/zinc/38/28/71/1384382871.db2.gz VQGLPIZIYLUGED-MRXNPFEDSA-N 1 3 343.943 3.268 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262173 1385232593 /nfs/dbraw/zinc/23/25/93/1385232593.db2.gz COZVZMLJNWFCLV-MOPGFXCFSA-N 1 3 337.552 3.339 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263471 1385233517 /nfs/dbraw/zinc/23/35/17/1385233517.db2.gz QAZMAZFIPFWWDX-APWZRJJASA-N 1 3 341.515 3.040 20 30 EGEDHO CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176351026 1385559861 /nfs/dbraw/zinc/55/98/61/1385559861.db2.gz OWWWKHKKKHLCGO-INIZCTEOSA-N 1 3 336.524 3.496 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1CCC ZINC001177335606 1385918149 /nfs/dbraw/zinc/91/81/49/1385918149.db2.gz HPVANRRDMOGQOS-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835104 1440227190 /nfs/dbraw/zinc/22/71/90/1440227190.db2.gz BETFXRHMQGFDHE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835104 1440227191 /nfs/dbraw/zinc/22/71/91/1440227191.db2.gz BETFXRHMQGFDHE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001755102130 1440753134 /nfs/dbraw/zinc/75/31/34/1440753134.db2.gz IVOKBGCOFCNORG-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001755102130 1440753135 /nfs/dbraw/zinc/75/31/35/1440753135.db2.gz IVOKBGCOFCNORG-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139293 1440759701 /nfs/dbraw/zinc/75/97/01/1440759701.db2.gz VKCKNBMJHWIFBK-DLBZAZTESA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139293 1440759702 /nfs/dbraw/zinc/75/97/02/1440759702.db2.gz VKCKNBMJHWIFBK-DLBZAZTESA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCCN1CC)C(C)C ZINC001755342383 1440825734 /nfs/dbraw/zinc/82/57/34/1440825734.db2.gz DDPCMADMQHJKBS-IAGOWNOFSA-N 1 3 343.943 3.076 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001755844469 1440932668 /nfs/dbraw/zinc/93/26/68/1440932668.db2.gz WSYBARQYOKPCKQ-QZTJIDSGSA-N 1 3 349.563 3.432 20 30 EGEDHO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268714360 252163813 /nfs/dbraw/zinc/16/38/13/252163813.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268714360 252163817 /nfs/dbraw/zinc/16/38/17/252163817.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](Cc1cc(C#N)cs1)CC1CCN(c2ccncc2)CC1 ZINC000350269200 165024219 /nfs/dbraw/zinc/02/42/19/165024219.db2.gz RCNPDIPSCJCGEB-UHFFFAOYSA-N 1 3 326.469 3.363 20 30 EGEDHO C[N@H+](Cc1cc(C#N)cs1)CC1CCN(c2ccncc2)CC1 ZINC000350269200 165024224 /nfs/dbraw/zinc/02/42/24/165024224.db2.gz RCNPDIPSCJCGEB-UHFFFAOYSA-N 1 3 326.469 3.363 20 30 EGEDHO C=C(C)CN(CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125951391 454858882 /nfs/dbraw/zinc/85/88/82/454858882.db2.gz AOCMJICWUXDIAH-GOSISDBHSA-N 1 3 343.515 3.054 20 30 EGEDHO C=CC[NH+]1CCC(NCc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000237323417 455173613 /nfs/dbraw/zinc/17/36/13/455173613.db2.gz YSXOLVTZLFXNBN-UHFFFAOYSA-N 1 3 343.471 3.118 20 30 EGEDHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000284309186 455666424 /nfs/dbraw/zinc/66/64/24/455666424.db2.gz JIGRDZQGWWMVOE-QZTJIDSGSA-N 1 3 327.472 3.332 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000280793656 456053944 /nfs/dbraw/zinc/05/39/44/456053944.db2.gz JVCHOBAKHBCXHK-QRFRQXIXSA-N 1 3 332.488 3.259 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000442721774 459027416 /nfs/dbraw/zinc/02/74/16/459027416.db2.gz ULRDJKCKMALDKL-WOJBJXKFSA-N 1 3 340.515 3.179 20 30 EGEDHO N#CC1(CCC[NH+]2CCC(NCc3ccccc3)CC2)CCOCC1 ZINC000595508089 459329235 /nfs/dbraw/zinc/32/92/35/459329235.db2.gz HBIVNWIKJNEADI-UHFFFAOYSA-N 1 3 341.499 3.341 20 30 EGEDHO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCNC1 ZINC000562960618 459680524 /nfs/dbraw/zinc/68/05/24/459680524.db2.gz RQKMHFQDACJCLX-BJMVHTGZSA-N 1 3 327.472 3.226 20 30 EGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000657919100 462317348 /nfs/dbraw/zinc/31/73/48/462317348.db2.gz KBHJDFOIAAHMGS-QUCCMNQESA-N 1 3 343.515 3.203 20 30 EGEDHO CN(CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000303768592 1296849721 /nfs/dbraw/zinc/84/97/21/1296849721.db2.gz ALAYQKFRGOFVIN-UHFFFAOYSA-N 1 3 336.483 3.424 20 30 EGEDHO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311739135 1297111589 /nfs/dbraw/zinc/11/15/89/1297111589.db2.gz AZYYRGUFAMMQDX-WTOYTKOKSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311739135 1297111594 /nfs/dbraw/zinc/11/15/94/1297111594.db2.gz AZYYRGUFAMMQDX-WTOYTKOKSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H](NC[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739135 1297111600 /nfs/dbraw/zinc/11/16/00/1297111600.db2.gz AZYYRGUFAMMQDX-WTOYTKOKSA-N 1 3 349.478 3.092 20 30 EGEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000876719642 1298937318 /nfs/dbraw/zinc/93/73/18/1298937318.db2.gz QNIJEKDOGJDCMR-YJBOKZPZSA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719642 1298937326 /nfs/dbraw/zinc/93/73/26/1298937326.db2.gz QNIJEKDOGJDCMR-YJBOKZPZSA-N 1 3 349.906 3.147 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796670 1317617641 /nfs/dbraw/zinc/61/76/41/1317617641.db2.gz SRPUTVXGMURRGK-MRXNPFEDSA-N 1 3 330.472 3.473 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001024617862 1323547946 /nfs/dbraw/zinc/54/79/46/1323547946.db2.gz LZPWHJLGFLAWCG-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001024617862 1323547950 /nfs/dbraw/zinc/54/79/50/1323547950.db2.gz LZPWHJLGFLAWCG-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948065147 1333360645 /nfs/dbraw/zinc/36/06/45/1333360645.db2.gz HTKYGVYQWCKUKN-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948065147 1333360646 /nfs/dbraw/zinc/36/06/46/1333360646.db2.gz HTKYGVYQWCKUKN-IEBWSBKVSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001006433903 1336505060 /nfs/dbraw/zinc/50/50/60/1336505060.db2.gz HOWRXIFBGQCCFS-UHFFFAOYSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009165198 1336980151 /nfs/dbraw/zinc/98/01/51/1336980151.db2.gz BWGPMEWEYGNWND-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009165198 1336980153 /nfs/dbraw/zinc/98/01/53/1336980153.db2.gz BWGPMEWEYGNWND-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016924751 1338772338 /nfs/dbraw/zinc/77/23/38/1338772338.db2.gz YEUHODHEQSXKRD-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018308782 1339570898 /nfs/dbraw/zinc/57/08/98/1339570898.db2.gz CSIKMKGRIDVUQS-KDURUIRLSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028093044 1340421435 /nfs/dbraw/zinc/42/14/35/1340421435.db2.gz GMAOLQKOUKTGCO-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028093044 1340421438 /nfs/dbraw/zinc/42/14/38/1340421438.db2.gz GMAOLQKOUKTGCO-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001033573729 1341879139 /nfs/dbraw/zinc/87/91/39/1341879139.db2.gz IZHJSUSUDDKRNU-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2CCCC)C1 ZINC001033573729 1341879140 /nfs/dbraw/zinc/87/91/40/1341879140.db2.gz IZHJSUSUDDKRNU-RBUKOAKNSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835606 1342035109 /nfs/dbraw/zinc/03/51/09/1342035109.db2.gz KCRFXQMMZPMIOZ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835606 1342035112 /nfs/dbraw/zinc/03/51/12/1342035112.db2.gz KCRFXQMMZPMIOZ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001034370213 1342439225 /nfs/dbraw/zinc/43/92/25/1342439225.db2.gz XIBOGTGKJBVUHI-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001034370213 1342439226 /nfs/dbraw/zinc/43/92/26/1342439226.db2.gz XIBOGTGKJBVUHI-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040433592 1345496364 /nfs/dbraw/zinc/49/63/64/1345496364.db2.gz XVRWWODEIDTVFW-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040433592 1345496366 /nfs/dbraw/zinc/49/63/66/1345496366.db2.gz XVRWWODEIDTVFW-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047244502 1347270058 /nfs/dbraw/zinc/27/00/58/1347270058.db2.gz RRBIKKODOPOAKC-VQTJNVASSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049834536 1348047538 /nfs/dbraw/zinc/04/75/38/1348047538.db2.gz BNQHLRZOWRCCDR-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049834536 1348047542 /nfs/dbraw/zinc/04/75/42/1348047542.db2.gz BNQHLRZOWRCCDR-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052955287 1348769938 /nfs/dbraw/zinc/76/99/38/1348769938.db2.gz CFPZVTGMHGNIHV-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052955287 1348769940 /nfs/dbraw/zinc/76/99/40/1348769940.db2.gz CFPZVTGMHGNIHV-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095508 1355126587 /nfs/dbraw/zinc/12/65/87/1355126587.db2.gz JNFUCSJJNPNTMB-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095508 1355126589 /nfs/dbraw/zinc/12/65/89/1355126589.db2.gz JNFUCSJJNPNTMB-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085918987 1358878382 /nfs/dbraw/zinc/87/83/82/1358878382.db2.gz QKQYELVEHPKBIC-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918987 1358878387 /nfs/dbraw/zinc/87/83/87/1358878387.db2.gz QKQYELVEHPKBIC-MOPGFXCFSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509318 1360480964 /nfs/dbraw/zinc/48/09/64/1360480964.db2.gz ASOKMGRPTCFCHD-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509318 1360480966 /nfs/dbraw/zinc/48/09/66/1360480966.db2.gz ASOKMGRPTCFCHD-OALUTQOASA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171571 1387633549 /nfs/dbraw/zinc/63/35/49/1387633549.db2.gz XFTHFDDZFXMSKO-MSOLQXFVSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001099069218 1363605892 /nfs/dbraw/zinc/60/58/92/1363605892.db2.gz CIGMSJIEAUMKLO-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001099069218 1363605896 /nfs/dbraw/zinc/60/58/96/1363605896.db2.gz CIGMSJIEAUMKLO-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116554 1363632935 /nfs/dbraw/zinc/63/29/35/1363632935.db2.gz UHLYWYOLFXIVNQ-MSOLQXFVSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001099116554 1363632938 /nfs/dbraw/zinc/63/29/38/1363632938.db2.gz UHLYWYOLFXIVNQ-MSOLQXFVSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229717 1363703168 /nfs/dbraw/zinc/70/31/68/1363703168.db2.gz MFYXKXYUESRRPX-ROUUACIJSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357295 1387691222 /nfs/dbraw/zinc/69/12/22/1387691222.db2.gz BYQPVXGERWSJDB-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330298 1365005455 /nfs/dbraw/zinc/00/54/55/1365005455.db2.gz NQTVYFQMRJSITL-GUDVDZBRSA-N 1 3 339.568 3.227 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330298 1365005458 /nfs/dbraw/zinc/00/54/58/1365005458.db2.gz NQTVYFQMRJSITL-GUDVDZBRSA-N 1 3 339.568 3.227 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185549687 1387745629 /nfs/dbraw/zinc/74/56/29/1387745629.db2.gz RHBIXAAUYZMJBJ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)CCC1 ZINC001105563240 1366532653 /nfs/dbraw/zinc/53/26/53/1366532653.db2.gz HNGNAOUKANSABB-SFHVURJKSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568798 1366536907 /nfs/dbraw/zinc/53/69/07/1366536907.db2.gz ZHEMIGIRQZIDET-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108688133 1367533722 /nfs/dbraw/zinc/53/37/22/1367533722.db2.gz RMRSMONDJLTHGS-OTWHNJEPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717234 1367553792 /nfs/dbraw/zinc/55/37/92/1367553792.db2.gz FNZYGSJBTQUFKW-OTWHNJEPSA-N 1 3 349.563 3.432 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386960 1367770666 /nfs/dbraw/zinc/77/06/66/1367770666.db2.gz TXAZHOLRZZTENZ-GOSISDBHSA-N 1 3 337.552 3.221 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386960 1367770672 /nfs/dbraw/zinc/77/06/72/1367770672.db2.gz TXAZHOLRZZTENZ-GOSISDBHSA-N 1 3 337.552 3.221 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467363 1368311745 /nfs/dbraw/zinc/31/17/45/1368311745.db2.gz GULQVZGEMGJLHY-ZRNYENFQSA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467363 1368311749 /nfs/dbraw/zinc/31/17/49/1368311749.db2.gz GULQVZGEMGJLHY-ZRNYENFQSA-N 1 3 347.547 3.185 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049424 1368736032 /nfs/dbraw/zinc/73/60/32/1368736032.db2.gz PQPKXPRASBHKRU-GOSISDBHSA-N 1 3 325.541 3.077 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049424 1368736034 /nfs/dbraw/zinc/73/60/34/1368736034.db2.gz PQPKXPRASBHKRU-GOSISDBHSA-N 1 3 325.541 3.077 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 ZINC001112547252 1368923088 /nfs/dbraw/zinc/92/30/88/1368923088.db2.gz FKPYOUORCPPGBK-FPOVZHCZSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203902593 1370307828 /nfs/dbraw/zinc/30/78/28/1370307828.db2.gz GZLVVKLLPVYASW-IBGZPJMESA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001115535454 1370532350 /nfs/dbraw/zinc/53/23/50/1370532350.db2.gz WPZKGDYFYVMWDX-SFHVURJKSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCOC(=O)N1CCC2(CCCN(CC[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843591 1370588577 /nfs/dbraw/zinc/58/85/77/1370588577.db2.gz QSSSPERWXXSZKT-GOSISDBHSA-N 1 3 349.519 3.019 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208014404 1371568271 /nfs/dbraw/zinc/56/82/71/1371568271.db2.gz QBYXTBXTSMXDEJ-RTBURBONSA-N 1 3 337.552 3.410 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208073557 1371588457 /nfs/dbraw/zinc/58/84/57/1371588457.db2.gz DYBIYUKAHRMVCP-MISYRCLQSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208073557 1371588460 /nfs/dbraw/zinc/58/84/60/1371588460.db2.gz DYBIYUKAHRMVCP-MISYRCLQSA-N 1 3 347.547 3.044 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933336 1371952416 /nfs/dbraw/zinc/95/24/16/1371952416.db2.gz DOVBNVCJLXGFJO-HKUYNNGSSA-N 1 3 342.508 3.173 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933336 1371952421 /nfs/dbraw/zinc/95/24/21/1371952421.db2.gz DOVBNVCJLXGFJO-HKUYNNGSSA-N 1 3 342.508 3.173 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256596 1372513595 /nfs/dbraw/zinc/51/35/95/1372513595.db2.gz JRPSLYUTKCLLDD-RBUKOAKNSA-N 1 3 337.552 3.412 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887217 1375625603 /nfs/dbraw/zinc/62/56/03/1375625603.db2.gz CVIAZLXYOMCIJR-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133122637 1375787574 /nfs/dbraw/zinc/78/75/74/1375787574.db2.gz SJKBNQXWIDMIPR-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO CN(Cc1cc(C#N)ccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232477642 1376466746 /nfs/dbraw/zinc/46/67/46/1376466746.db2.gz CSRBQLKSKHGMMI-UHFFFAOYSA-N 1 3 334.467 3.297 20 30 EGEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265648 1376795818 /nfs/dbraw/zinc/79/58/18/1376795818.db2.gz KFTGESBTMROMIP-RBUKOAKNSA-N 1 3 337.552 3.362 20 30 EGEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265648 1376795820 /nfs/dbraw/zinc/79/58/20/1376795820.db2.gz KFTGESBTMROMIP-RBUKOAKNSA-N 1 3 337.552 3.362 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458293 1379175593 /nfs/dbraw/zinc/17/55/93/1379175593.db2.gz MFZIOGJWYYSLEJ-LJQANCHMSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458293 1379175597 /nfs/dbraw/zinc/17/55/97/1379175597.db2.gz MFZIOGJWYYSLEJ-LJQANCHMSA-N 1 3 349.563 3.388 20 30 EGEDHO CC(C)[C@@H](C#N)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164212932 1383166683 /nfs/dbraw/zinc/16/66/83/1383166683.db2.gz KLGUSMXNJNXMMH-LJQANCHMSA-N 1 3 328.504 3.388 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224892 1383570132 /nfs/dbraw/zinc/57/01/32/1383570132.db2.gz MHEGFXNJIIIYDQ-GOSISDBHSA-N 1 3 335.536 3.093 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCN2CCSCC2)cc1 ZINC001167839673 1383756027 /nfs/dbraw/zinc/75/60/27/1383756027.db2.gz QXPDHYDNJAIUEP-IBGZPJMESA-N 1 3 331.529 3.470 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCN2CCSCC2)cc1 ZINC001167839673 1383756033 /nfs/dbraw/zinc/75/60/33/1383756033.db2.gz QXPDHYDNJAIUEP-IBGZPJMESA-N 1 3 331.529 3.470 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175572800 1385335892 /nfs/dbraw/zinc/33/58/92/1385335892.db2.gz MGJVKDWQYNQEJL-IRXDYDNUSA-N 1 3 343.943 3.266 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001177488702 1385975772 /nfs/dbraw/zinc/97/57/72/1385975772.db2.gz IGIHXHLQBUZESY-IBGZPJMESA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1CC ZINC001177488963 1385976590 /nfs/dbraw/zinc/97/65/90/1385976590.db2.gz PKFSTXYBZIYFAC-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853697 1386329388 /nfs/dbraw/zinc/32/93/88/1386329388.db2.gz OMOMEOMLPWSLFR-QGZVFWFLSA-N 1 3 325.541 3.338 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001342138760 1390576877 /nfs/dbraw/zinc/57/68/77/1390576877.db2.gz BZQVIWPXMYWXCS-IEBWSBKVSA-N 1 3 335.536 3.173 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001342138760 1390576879 /nfs/dbraw/zinc/57/68/79/1390576879.db2.gz BZQVIWPXMYWXCS-IEBWSBKVSA-N 1 3 335.536 3.173 20 30 EGEDHO C[C@@H]1C[C@H](NCCNc2ncccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001347441828 1391075597 /nfs/dbraw/zinc/07/55/97/1391075597.db2.gz JZPFLNVLFOIYNB-YLJYHZDGSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@@H]1C[C@H](NCCNc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001347441828 1391075601 /nfs/dbraw/zinc/07/56/01/1391075601.db2.gz JZPFLNVLFOIYNB-YLJYHZDGSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@H]1C[C@@H](NCCNc2ncccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001347441822 1391075829 /nfs/dbraw/zinc/07/58/29/1391075829.db2.gz JZPFLNVLFOIYNB-PXNSSMCTSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@H]1C[C@@H](NCCNc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001347441822 1391075835 /nfs/dbraw/zinc/07/58/35/1391075835.db2.gz JZPFLNVLFOIYNB-PXNSSMCTSA-N 1 3 349.482 3.008 20 30 EGEDHO C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001732330271 1428536586 /nfs/dbraw/zinc/53/65/86/1428536586.db2.gz VFWHWDSOMJEYEN-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001732330271 1428536587 /nfs/dbraw/zinc/53/65/87/1428536587.db2.gz VFWHWDSOMJEYEN-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752442674 1440181649 /nfs/dbraw/zinc/18/16/49/1440181649.db2.gz YMEFULDEPIZFLF-QUCCMNQESA-N 1 3 349.563 3.386 20 30 EGEDHO C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753794626 1440489421 /nfs/dbraw/zinc/48/94/21/1440489421.db2.gz PPWZVIVJHCLWFX-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755471006 1440858795 /nfs/dbraw/zinc/85/87/95/1440858795.db2.gz LOOUYIPXPSJRBY-BZSNNMDCSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001755760525 1440914872 /nfs/dbraw/zinc/91/48/72/1440914872.db2.gz OOJAFWAGHOPDHH-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO CC[NH+](CC)CCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442678327 267058818 /nfs/dbraw/zinc/05/88/18/267058818.db2.gz DHYLTYCTXALFFI-QGZVFWFLSA-N 1 3 329.488 3.442 20 30 EGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028764 454264329 /nfs/dbraw/zinc/26/43/29/454264329.db2.gz ODCJFKYWDRHJJJ-MSOLQXFVSA-N 1 3 343.515 3.203 20 30 EGEDHO C#CCCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000172116546 455124216 /nfs/dbraw/zinc/12/42/16/455124216.db2.gz XOBPTQHKVQGHGP-KDURUIRLSA-N 1 3 344.499 3.068 20 30 EGEDHO C[C@H](NCc1ccc(C#N)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421893914 458423421 /nfs/dbraw/zinc/42/34/21/458423421.db2.gz XLSQEURQBLRKSY-AWEZNQCLSA-N 1 3 329.469 3.411 20 30 EGEDHO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000598728567 460008839 /nfs/dbraw/zinc/00/88/39/460008839.db2.gz VFHYUIBCHAQFRT-UXHICEINSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000598728567 460008845 /nfs/dbraw/zinc/00/88/45/460008845.db2.gz VFHYUIBCHAQFRT-UXHICEINSA-N 1 3 343.515 3.179 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728567 460008852 /nfs/dbraw/zinc/00/88/52/460008852.db2.gz VFHYUIBCHAQFRT-UXHICEINSA-N 1 3 343.515 3.179 20 30 EGEDHO N#CCCOCCN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602860561 460163037 /nfs/dbraw/zinc/16/30/37/460163037.db2.gz CBANZQUURZYGRE-UHFFFAOYSA-N 1 3 341.499 3.295 20 30 EGEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754711 460432309 /nfs/dbraw/zinc/43/23/09/460432309.db2.gz ISSKOGGCSAZNGG-HNAYVOBHSA-N 1 3 349.906 3.438 20 30 EGEDHO C=CCc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc(OC)c1O ZINC000656783869 461894107 /nfs/dbraw/zinc/89/41/07/461894107.db2.gz AXNGLRHXDYOCOJ-IBGZPJMESA-N 1 3 344.499 3.341 20 30 EGEDHO CCN(CC)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CC(C)C ZINC000304508369 1296930757 /nfs/dbraw/zinc/93/07/57/1296930757.db2.gz VTDOJNFQUPRCLM-SJLPKXTDSA-N 1 3 346.519 3.171 20 30 EGEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000876741312 1298952944 /nfs/dbraw/zinc/95/29/44/1298952944.db2.gz QKIRKIAQNXTMKC-SFHVURJKSA-N 1 3 349.906 3.149 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009165206 1336979991 /nfs/dbraw/zinc/97/99/91/1336979991.db2.gz BWGPMEWEYGNWND-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009165206 1336979993 /nfs/dbraw/zinc/97/99/93/1336979993.db2.gz BWGPMEWEYGNWND-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862258 1338751449 /nfs/dbraw/zinc/75/14/49/1338751449.db2.gz UYPQNFACVAENFX-RBUKOAKNSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028093046 1340421668 /nfs/dbraw/zinc/42/16/68/1340421668.db2.gz GMAOLQKOUKTGCO-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028093046 1340421670 /nfs/dbraw/zinc/42/16/70/1340421670.db2.gz GMAOLQKOUKTGCO-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251789 1340512579 /nfs/dbraw/zinc/51/25/79/1340512579.db2.gz LUEREJIVGXAYEB-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1CCCC ZINC001028251789 1340512585 /nfs/dbraw/zinc/51/25/85/1340512585.db2.gz LUEREJIVGXAYEB-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035259950 1343086601 /nfs/dbraw/zinc/08/66/01/1343086601.db2.gz KDBVDKGKLRIYQV-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035259950 1343086607 /nfs/dbraw/zinc/08/66/07/1343086607.db2.gz KDBVDKGKLRIYQV-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044864473 1346448858 /nfs/dbraw/zinc/44/88/58/1346448858.db2.gz WYBHQSOUPDEFLC-QAPCUYQASA-N 1 3 349.906 3.083 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938171 1346774251 /nfs/dbraw/zinc/77/42/51/1346774251.db2.gz TYYBOIRUXSYDQF-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938171 1346774252 /nfs/dbraw/zinc/77/42/52/1346774252.db2.gz TYYBOIRUXSYDQF-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763165 1348668816 /nfs/dbraw/zinc/66/88/16/1348668816.db2.gz DOPKVBJXUXIWJK-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001052763165 1348668824 /nfs/dbraw/zinc/66/88/24/1348668824.db2.gz DOPKVBJXUXIWJK-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379928 1360382445 /nfs/dbraw/zinc/38/24/45/1360382445.db2.gz APBZEJMPJZLMDJ-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379928 1360382447 /nfs/dbraw/zinc/38/24/47/1360382447.db2.gz APBZEJMPJZLMDJ-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094555656 1361857354 /nfs/dbraw/zinc/85/73/54/1361857354.db2.gz FZPPMCRXWOGJAJ-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094555656 1361857356 /nfs/dbraw/zinc/85/73/56/1361857356.db2.gz FZPPMCRXWOGJAJ-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001099103001 1363622997 /nfs/dbraw/zinc/62/29/97/1363622997.db2.gz SZUYLOHZDPFRQC-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001099103001 1363622998 /nfs/dbraw/zinc/62/29/98/1363622998.db2.gz SZUYLOHZDPFRQC-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001099153950 1363660180 /nfs/dbraw/zinc/66/01/80/1363660180.db2.gz QSZLRZWPRDHACC-IBGZPJMESA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153950 1363660182 /nfs/dbraw/zinc/66/01/82/1363660182.db2.gz QSZLRZWPRDHACC-IBGZPJMESA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101366057 1364529999 /nfs/dbraw/zinc/52/99/99/1364529999.db2.gz YTQSTJCETGDTEV-HBFSDRIKSA-N 1 3 337.552 3.077 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101366057 1364530002 /nfs/dbraw/zinc/53/00/02/1364530002.db2.gz YTQSTJCETGDTEV-HBFSDRIKSA-N 1 3 337.552 3.077 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362746 1365988365 /nfs/dbraw/zinc/98/83/65/1365988365.db2.gz HRUZKLAXBNGFFW-FGTMMUONSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741700 1387787678 /nfs/dbraw/zinc/78/76/78/1387787678.db2.gz OJCNMWWYNXQZPH-XLIONFOSSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185750683 1387789605 /nfs/dbraw/zinc/78/96/05/1387789605.db2.gz LUGZHUZMYOITKZ-RBUKOAKNSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001111262494 1368229295 /nfs/dbraw/zinc/22/92/95/1368229295.db2.gz SIYARZYVBAWWNG-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001111262494 1368229301 /nfs/dbraw/zinc/22/93/01/1368229301.db2.gz SIYARZYVBAWWNG-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196416799 1368611111 /nfs/dbraw/zinc/61/11/11/1368611111.db2.gz GTFPQLQSXUZWJD-UHFFFAOYSA-N 1 3 335.536 3.120 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221442 1368983880 /nfs/dbraw/zinc/98/38/80/1368983880.db2.gz JPXXJHNULAIOPY-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221442 1368983883 /nfs/dbraw/zinc/98/38/83/1368983883.db2.gz JPXXJHNULAIOPY-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930493 1369929247 /nfs/dbraw/zinc/92/92/47/1369929247.db2.gz VURUIHCTPYDCLK-ROUUACIJSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659794 1370205573 /nfs/dbraw/zinc/20/55/73/1370205573.db2.gz KZRHKQBJGARWCL-ROUUACIJSA-N 1 3 344.503 3.024 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001115760039 1370743449 /nfs/dbraw/zinc/74/34/49/1370743449.db2.gz JENBDKLKEGDAJJ-GOSISDBHSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121325117 1371936759 /nfs/dbraw/zinc/93/67/59/1371936759.db2.gz AAXLQKXKCRFVFI-AKJOHPPZSA-N 1 3 335.536 3.088 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001122004979 1372150992 /nfs/dbraw/zinc/15/09/92/1372150992.db2.gz CPFLBOIPMQDJLL-QFBILLFUSA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001122004979 1372150997 /nfs/dbraw/zinc/15/09/97/1372150997.db2.gz CPFLBOIPMQDJLL-QFBILLFUSA-N 1 3 345.487 3.029 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634409 1373093283 /nfs/dbraw/zinc/09/32/83/1373093283.db2.gz NAEQMMRILMUDHB-KZNAEPCWSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132823579 1375583873 /nfs/dbraw/zinc/58/38/73/1375583873.db2.gz IQIQSCVWYKEUKD-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120900 1375786695 /nfs/dbraw/zinc/78/66/95/1375786695.db2.gz CDWCIIPJRTUJKS-MSOLQXFVSA-N 1 3 337.552 3.005 20 30 EGEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133276008 1375889569 /nfs/dbraw/zinc/88/95/69/1375889569.db2.gz YVAZZZXWAFASSJ-OALUTQOASA-N 1 3 339.568 3.373 20 30 EGEDHO C#CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138557735 1377742012 /nfs/dbraw/zinc/74/20/12/1377742012.db2.gz PWQMSMAGKQBQGF-FGZHOGPDSA-N 1 3 346.474 3.262 20 30 EGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877765 1380501780 /nfs/dbraw/zinc/50/17/80/1380501780.db2.gz JELJCHWRZOTIFP-GOSISDBHSA-N 1 3 325.541 3.291 20 30 EGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877765 1380501781 /nfs/dbraw/zinc/50/17/81/1380501781.db2.gz JELJCHWRZOTIFP-GOSISDBHSA-N 1 3 325.541 3.291 20 30 EGEDHO N#Cc1c2c(sc1N=C1CCC([NH+]3CCCC3)CC1)CNCC2 ZINC001159159306 1381681226 /nfs/dbraw/zinc/68/12/26/1381681226.db2.gz GEQCMYQXMALFRN-AWEZNQCLSA-N 1 3 328.485 3.210 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359798 1382081888 /nfs/dbraw/zinc/08/18/88/1382081888.db2.gz BCCQLGQWDVAJCZ-HXUWFJFHSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359798 1382081889 /nfs/dbraw/zinc/08/18/89/1382081889.db2.gz BCCQLGQWDVAJCZ-HXUWFJFHSA-N 1 3 347.547 3.211 20 30 EGEDHO CCCCCCC[C@@H](C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447556 1382414072 /nfs/dbraw/zinc/41/40/72/1382414072.db2.gz XXTOVMZNDYWAQN-QZTJIDSGSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504828 1382425867 /nfs/dbraw/zinc/42/58/67/1382425867.db2.gz TVBOWYLAXHGCOM-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504828 1382425869 /nfs/dbraw/zinc/42/58/69/1382425869.db2.gz TVBOWYLAXHGCOM-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385792 1383619221 /nfs/dbraw/zinc/61/92/21/1383619221.db2.gz UBDAJYAOXMSVQQ-GOSISDBHSA-N 1 3 335.536 3.092 20 30 EGEDHO C[C@@H]1CC([NH2+]Cc2cncc(C#N)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168024225 1383799525 /nfs/dbraw/zinc/79/95/25/1383799525.db2.gz CORACIZKURCWNF-IAGOWNOFSA-N 1 3 334.467 3.484 20 30 EGEDHO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001171222664 1384472516 /nfs/dbraw/zinc/47/25/16/1384472516.db2.gz ILKYXZLSEKSNGD-MRXNPFEDSA-N 1 3 329.463 3.388 20 30 EGEDHO CC1(C)C[C@H](NC(=N)c2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001171970635 1384699439 /nfs/dbraw/zinc/69/94/39/1384699439.db2.gz DTFAIVKLCNIITE-QGZVFWFLSA-N 1 3 340.446 3.369 20 30 EGEDHO CC1(C)C[C@H](NC(=N)c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171970635 1384699442 /nfs/dbraw/zinc/69/94/42/1384699442.db2.gz DTFAIVKLCNIITE-QGZVFWFLSA-N 1 3 340.446 3.369 20 30 EGEDHO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC001171980854 1384701798 /nfs/dbraw/zinc/70/17/98/1384701798.db2.gz UDNOQEYDYOFQBG-LJQANCHMSA-N 1 3 334.467 3.486 20 30 EGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172299684 1384763318 /nfs/dbraw/zinc/76/33/18/1384763318.db2.gz NVMGCKBBUUSIOA-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCOC1CCC([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)CC1 ZINC001173328006 1384959902 /nfs/dbraw/zinc/95/99/02/1384959902.db2.gz XJAQKGAAXBXPMN-SKINQDTJSA-N 1 3 336.520 3.075 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295135 1385241745 /nfs/dbraw/zinc/24/17/45/1385241745.db2.gz BZBRNXZTESKCMF-KRWDZBQOSA-N 1 3 325.541 3.195 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176284188 1385538851 /nfs/dbraw/zinc/53/88/51/1385538851.db2.gz CWWSJKYHEYGQEI-SFHVURJKSA-N 1 3 325.541 3.339 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC001182806533 1387227592 /nfs/dbraw/zinc/22/75/92/1387227592.db2.gz IYAODBQYGKOIIZ-SVFBPWRDSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC001182807259 1387228058 /nfs/dbraw/zinc/22/80/58/1387228058.db2.gz PHSQGYJXUNKFRN-SFHLNBCPSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001717378268 1421321972 /nfs/dbraw/zinc/32/19/72/1421321972.db2.gz UCKCSLIQZXCWAC-UXHICEINSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001717378268 1421321976 /nfs/dbraw/zinc/32/19/76/1421321976.db2.gz UCKCSLIQZXCWAC-UXHICEINSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706654 1440202728 /nfs/dbraw/zinc/20/27/28/1440202728.db2.gz IPVQXZMVHIQMSG-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706654 1440202729 /nfs/dbraw/zinc/20/27/29/1440202729.db2.gz IPVQXZMVHIQMSG-MOPGFXCFSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001754646809 1440650611 /nfs/dbraw/zinc/65/06/11/1440650611.db2.gz JALOUOZWDOSCGN-GOSISDBHSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754807824 1440691464 /nfs/dbraw/zinc/69/14/64/1440691464.db2.gz UIOZNAGXNGOLQX-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001755028967 1440730288 /nfs/dbraw/zinc/73/02/88/1440730288.db2.gz KIKJRWTUBVGUSB-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001755028967 1440730289 /nfs/dbraw/zinc/73/02/89/1440730289.db2.gz KIKJRWTUBVGUSB-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001755275987 1440799072 /nfs/dbraw/zinc/79/90/72/1440799072.db2.gz NWWWTJNAOWQQGE-CTWPCTMYSA-N 1 3 335.536 3.185 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001755342384 1440825665 /nfs/dbraw/zinc/82/56/65/1440825665.db2.gz DDPCMADMQHJKBS-IRXDYDNUSA-N 1 3 343.943 3.076 20 30 EGEDHO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268714359 252163942 /nfs/dbraw/zinc/16/39/42/252163942.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268714359 252163946 /nfs/dbraw/zinc/16/39/46/252163946.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 1 3 349.478 3.046 20 30 EGEDHO CN1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342739 /nfs/dbraw/zinc/34/27/39/267342739.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 1 3 347.462 3.131 20 30 EGEDHO CN1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342742 /nfs/dbraw/zinc/34/27/42/267342742.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 1 3 347.462 3.131 20 30 EGEDHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177502604 454871235 /nfs/dbraw/zinc/87/12/35/454871235.db2.gz VSMUXRBUAJRLKU-HDICACEKSA-N 1 3 341.499 3.270 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000264462360 455218364 /nfs/dbraw/zinc/21/83/64/455218364.db2.gz GJNBVWZOAHQIRU-UHFFFAOYSA-N 1 3 341.499 3.053 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000280875744 456070766 /nfs/dbraw/zinc/07/07/66/456070766.db2.gz OSDKTFREUXCHKJ-POAQFYNOSA-N 1 3 332.488 3.259 20 30 EGEDHO C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000289963148 456197450 /nfs/dbraw/zinc/19/74/50/456197450.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 1 3 330.472 3.317 20 30 EGEDHO C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000289963148 456197453 /nfs/dbraw/zinc/19/74/53/456197453.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 1 3 330.472 3.317 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317719 457808230 /nfs/dbraw/zinc/80/82/30/457808230.db2.gz LQKGCCKTZSQOKP-LJQANCHMSA-N 1 3 339.483 3.236 20 30 EGEDHO C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422988253 458429523 /nfs/dbraw/zinc/42/95/23/458429523.db2.gz KBSPAGPZOGPXCJ-HJZRJOMTSA-N 1 3 327.472 3.368 20 30 EGEDHO C=CCC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000439080498 458650019 /nfs/dbraw/zinc/65/00/19/458650019.db2.gz YGTMWJVIQRDXLY-NRFANRHFSA-N 1 3 327.516 3.268 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593686 459956706 /nfs/dbraw/zinc/95/67/06/459956706.db2.gz VUVGBWNOCAUYJV-HKUYNNGSSA-N 1 3 335.536 3.264 20 30 EGEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593686 459956711 /nfs/dbraw/zinc/95/67/11/459956711.db2.gz VUVGBWNOCAUYJV-HKUYNNGSSA-N 1 3 335.536 3.264 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000602565531 459999797 /nfs/dbraw/zinc/99/97/97/459999797.db2.gz RTISBAKKQIBARX-KRWDZBQOSA-N 1 3 333.520 3.472 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219998 460209942 /nfs/dbraw/zinc/20/99/42/460209942.db2.gz NCQABBBCSFVXOS-OALUTQOASA-N 1 3 339.483 3.282 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598219998 460209945 /nfs/dbraw/zinc/20/99/45/460209945.db2.gz NCQABBBCSFVXOS-OALUTQOASA-N 1 3 339.483 3.282 20 30 EGEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000303883227 1296869192 /nfs/dbraw/zinc/86/91/92/1296869192.db2.gz ILZXVVPLFZWINJ-UHFFFAOYSA-N 1 3 348.491 3.087 20 30 EGEDHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000902889345 1317627764 /nfs/dbraw/zinc/62/77/64/1317627764.db2.gz HTTNKMGJTUCYSQ-LJQANCHMSA-N 1 3 338.455 3.135 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696467 1319820142 /nfs/dbraw/zinc/82/01/42/1319820142.db2.gz NUQALFUYULWQKH-PMACEKPBSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696467 1319820152 /nfs/dbraw/zinc/82/01/52/1319820152.db2.gz NUQALFUYULWQKH-PMACEKPBSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086083 1321025640 /nfs/dbraw/zinc/02/56/40/1321025640.db2.gz KKPJNKRJWDBEEM-FQEVSTJZSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086083 1321025646 /nfs/dbraw/zinc/02/56/46/1321025646.db2.gz KKPJNKRJWDBEEM-FQEVSTJZSA-N 1 3 330.472 3.047 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257660 1324064203 /nfs/dbraw/zinc/06/42/03/1324064203.db2.gz FQUDRQNPUGLJBH-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257660 1324064207 /nfs/dbraw/zinc/06/42/07/1324064207.db2.gz FQUDRQNPUGLJBH-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948065146 1333361107 /nfs/dbraw/zinc/36/11/07/1333361107.db2.gz HTKYGVYQWCKUKN-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948065146 1333361111 /nfs/dbraw/zinc/36/11/11/1333361111.db2.gz HTKYGVYQWCKUKN-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028093042 1340421654 /nfs/dbraw/zinc/42/16/54/1340421654.db2.gz GMAOLQKOUKTGCO-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028093042 1340421657 /nfs/dbraw/zinc/42/16/57/1340421657.db2.gz GMAOLQKOUKTGCO-PMACEKPBSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037981734 1344218771 /nfs/dbraw/zinc/21/87/71/1344218771.db2.gz GVOLFQCSUUHUFS-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045941013 1346777236 /nfs/dbraw/zinc/77/72/36/1346777236.db2.gz HHXANNNVIUNGHO-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045941013 1346777237 /nfs/dbraw/zinc/77/72/37/1346777237.db2.gz HHXANNNVIUNGHO-CTNGQTDRSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244048 1347270025 /nfs/dbraw/zinc/27/00/25/1347270025.db2.gz PHOPUPRPEOKLMR-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563658 1347911716 /nfs/dbraw/zinc/91/17/16/1347911716.db2.gz GNNOXOUOLQJFMC-OALUTQOASA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563658 1347911720 /nfs/dbraw/zinc/91/17/20/1347911720.db2.gz GNNOXOUOLQJFMC-OALUTQOASA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906806 1348104741 /nfs/dbraw/zinc/10/47/41/1348104741.db2.gz AHZFOEPNYMEYFK-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906806 1348104742 /nfs/dbraw/zinc/10/47/42/1348104742.db2.gz AHZFOEPNYMEYFK-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458711 1356390673 /nfs/dbraw/zinc/39/06/73/1356390673.db2.gz NZBODYKUTKWDPB-ICSRJNTNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458711 1356390677 /nfs/dbraw/zinc/39/06/77/1356390677.db2.gz NZBODYKUTKWDPB-ICSRJNTNSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792004 1359648890 /nfs/dbraw/zinc/64/88/90/1359648890.db2.gz IKQOXUOHCSESHU-IPMKNSEASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792004 1359648893 /nfs/dbraw/zinc/64/88/93/1359648893.db2.gz IKQOXUOHCSESHU-IPMKNSEASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400599 1360400267 /nfs/dbraw/zinc/40/02/67/1360400267.db2.gz JWRGFERJBCWFFY-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089400599 1360400271 /nfs/dbraw/zinc/40/02/71/1360400271.db2.gz JWRGFERJBCWFFY-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184413371 1387454097 /nfs/dbraw/zinc/45/40/97/1387454097.db2.gz YPCHKMCJJZDRTR-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103756022 1365766157 /nfs/dbraw/zinc/76/61/57/1365766157.db2.gz VLPUSXUKGMANMR-RTBURBONSA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103756022 1365766158 /nfs/dbraw/zinc/76/61/58/1365766158.db2.gz VLPUSXUKGMANMR-RTBURBONSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063716 1366302631 /nfs/dbraw/zinc/30/26/31/1366302631.db2.gz BBALZHKWGHBQBQ-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568475 1366536288 /nfs/dbraw/zinc/53/62/88/1366536288.db2.gz QATIZGFWEPYKAM-IBGZPJMESA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578516 1366542061 /nfs/dbraw/zinc/54/20/61/1366542061.db2.gz BUYSXBAIVBXBQY-LJQANCHMSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567095 1367047439 /nfs/dbraw/zinc/04/74/39/1367047439.db2.gz JNLGNBJQKUPBBG-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567095 1367047443 /nfs/dbraw/zinc/04/74/43/1367047443.db2.gz JNLGNBJQKUPBBG-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371561 1367091991 /nfs/dbraw/zinc/09/19/91/1367091991.db2.gz JTQCMDUMCCPKCO-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371561 1367091995 /nfs/dbraw/zinc/09/19/95/1367091995.db2.gz JTQCMDUMCCPKCO-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427075 1367115772 /nfs/dbraw/zinc/11/57/72/1367115772.db2.gz MSOSSBBRGCIJQP-XWSJACJDSA-N 1 3 337.552 3.265 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427075 1367115775 /nfs/dbraw/zinc/11/57/75/1367115775.db2.gz MSOSSBBRGCIJQP-XWSJACJDSA-N 1 3 337.552 3.265 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803313 1367605502 /nfs/dbraw/zinc/60/55/02/1367605502.db2.gz AGVRTLDWJPKNEM-FHWLQOOXSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227331 1368213336 /nfs/dbraw/zinc/21/33/36/1368213336.db2.gz KAPSLGZWTHJHEX-FXAWDEMLSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227331 1368213339 /nfs/dbraw/zinc/21/33/39/1368213339.db2.gz KAPSLGZWTHJHEX-FXAWDEMLSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001112382368 1368810728 /nfs/dbraw/zinc/81/07/28/1368810728.db2.gz UJRLIVOBMMVSDR-ZVDOUQERSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507767 1370149117 /nfs/dbraw/zinc/14/91/17/1370149117.db2.gz UYHGICZVRNTYOA-RTBURBONSA-N 1 3 349.563 3.482 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203652389 1370202186 /nfs/dbraw/zinc/20/21/86/1370202186.db2.gz UGYBYHWBSPHNST-QZTJIDSGSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCCCCCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209437751 1372106254 /nfs/dbraw/zinc/10/62/54/1372106254.db2.gz SSDJZPLMNJBKRK-UHFFFAOYSA-N 1 3 348.535 3.304 20 30 EGEDHO C=CCCCCCCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001209442044 1372106863 /nfs/dbraw/zinc/10/68/63/1372106863.db2.gz NZOCFPGOCQQNJD-UHFFFAOYSA-N 1 3 335.536 3.175 20 30 EGEDHO C=CCCC[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001122186634 1372196551 /nfs/dbraw/zinc/19/65/51/1372196551.db2.gz VOYCMYWTCYMPJZ-FQEVSTJZSA-N 1 3 343.515 3.089 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215773966 1373236699 /nfs/dbraw/zinc/23/66/99/1373236699.db2.gz FYQALFRUGMJKHS-AQNXPRMDSA-N 1 3 349.563 3.432 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844383 1373350110 /nfs/dbraw/zinc/35/01/10/1373350110.db2.gz AGZRWMWKLKVQJK-QRVBRYPASA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844720 1373350187 /nfs/dbraw/zinc/35/01/87/1373350187.db2.gz JBDQETYVYIWRSV-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224740112 1375072308 /nfs/dbraw/zinc/07/23/08/1375072308.db2.gz XOPIHDRQQYMXNM-MOPGFXCFSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224739565 1375072431 /nfs/dbraw/zinc/07/24/31/1375072431.db2.gz PEUXKTCWEPCGDH-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235969978 1376923750 /nfs/dbraw/zinc/92/37/50/1376923750.db2.gz XDWHPNSGQAXMPX-NRFANRHFSA-N 1 3 347.462 3.247 20 30 EGEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691780 1377185494 /nfs/dbraw/zinc/18/54/94/1377185494.db2.gz ZNAOGJVMEGTHJS-HZPDHXFCSA-N 1 3 331.932 3.124 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727914 1380119439 /nfs/dbraw/zinc/11/94/39/1380119439.db2.gz HSLOAIBDPAYVPT-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727914 1380119440 /nfs/dbraw/zinc/11/94/40/1380119440.db2.gz HSLOAIBDPAYVPT-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158117869 1381133719 /nfs/dbraw/zinc/13/37/19/1381133719.db2.gz MMURLDYCGPDAAI-RTBURBONSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158117869 1381133723 /nfs/dbraw/zinc/13/37/23/1381133723.db2.gz MMURLDYCGPDAAI-RTBURBONSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739879 1381377675 /nfs/dbraw/zinc/37/76/75/1381377675.db2.gz WXUJSGWKDPHCQM-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO N#CC12CCC(Nc3cccc(N4CCC([NH3+])CC4)n3)(CC1)CC2 ZINC001158785006 1381398062 /nfs/dbraw/zinc/39/80/62/1381398062.db2.gz AGUSYGCOOHCVKB-UHFFFAOYSA-N 1 3 325.460 3.038 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687264 1383460799 /nfs/dbraw/zinc/46/07/99/1383460799.db2.gz LHGIMGWZBMEAJZ-IBGZPJMESA-N 1 3 343.531 3.265 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035423 1383524185 /nfs/dbraw/zinc/52/41/85/1383524185.db2.gz ICRTYFDAHBWYTQ-GOSISDBHSA-N 1 3 337.552 3.195 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385801 1383618771 /nfs/dbraw/zinc/61/87/71/1383618771.db2.gz UFEJOUUAUHONLT-SFHVURJKSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385634 1383619100 /nfs/dbraw/zinc/61/91/00/1383619100.db2.gz LQDYHXCUKUQNQO-OALUTQOASA-N 1 3 349.563 3.480 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263476 1385233723 /nfs/dbraw/zinc/23/37/23/1385233723.db2.gz QAZMAZFIPFWWDX-VQIMIIECSA-N 1 3 341.515 3.040 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175574341 1385336259 /nfs/dbraw/zinc/33/62/59/1385336259.db2.gz VIJXSABLXZFRKW-OALUTQOASA-N 1 3 337.552 3.480 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177342385 1385921138 /nfs/dbraw/zinc/92/11/38/1385921138.db2.gz LXUIJZOVWNGOBD-IBGZPJMESA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698193 1386281886 /nfs/dbraw/zinc/28/18/86/1386281886.db2.gz BEDHSRQGOHTVRI-LJQANCHMSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178760189 1386296356 /nfs/dbraw/zinc/29/63/56/1386296356.db2.gz YNHNDUMFOXWOAE-ROUUACIJSA-N 1 3 325.541 3.194 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815884 1386316229 /nfs/dbraw/zinc/31/62/29/1386316229.db2.gz NBHAKEMAZCHLKV-GOSISDBHSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369662 1386777154 /nfs/dbraw/zinc/77/71/54/1386777154.db2.gz RHQCPNRVDRHJTA-UHFFFAOYSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC001340199788 1390248136 /nfs/dbraw/zinc/24/81/36/1390248136.db2.gz GLERWXOVWXGJRW-KRWDZBQOSA-N 1 3 347.528 3.166 20 30 EGEDHO C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001753746408 1440481094 /nfs/dbraw/zinc/48/10/94/1440481094.db2.gz VFOAFSLHWJRLCD-IBGZPJMESA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001755079208 1440750328 /nfs/dbraw/zinc/75/03/28/1440750328.db2.gz YWBLIZNZOZEPHV-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001755079208 1440750329 /nfs/dbraw/zinc/75/03/29/1440750329.db2.gz YWBLIZNZOZEPHV-FPOVZHCZSA-N 1 3 347.547 3.140 20 30 EGEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544709 266155189 /nfs/dbraw/zinc/15/51/89/266155189.db2.gz YYCYGVBJSHESLK-HIFRSBDPSA-N 1 3 334.489 3.402 20 30 EGEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544709 266155193 /nfs/dbraw/zinc/15/51/93/266155193.db2.gz YYCYGVBJSHESLK-HIFRSBDPSA-N 1 3 334.489 3.402 20 30 EGEDHO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000337201071 456338779 /nfs/dbraw/zinc/33/87/79/456338779.db2.gz FPMWJMTUXDCFDF-QZTJIDSGSA-N 1 3 333.520 3.330 20 30 EGEDHO Cc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)ccc1C#N ZINC000443989416 457834105 /nfs/dbraw/zinc/83/41/05/457834105.db2.gz QYJQNVRGHIQERI-UHFFFAOYSA-N 1 3 337.467 3.139 20 30 EGEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000377885202 458563299 /nfs/dbraw/zinc/56/32/99/458563299.db2.gz RQWJAOVTTOHTAB-QFBILLFUSA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000377885202 458563304 /nfs/dbraw/zinc/56/33/04/458563304.db2.gz RQWJAOVTTOHTAB-QFBILLFUSA-N 1 3 327.472 3.141 20 30 EGEDHO Cc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674079 /nfs/dbraw/zinc/67/40/79/458674079.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 1 3 331.463 3.431 20 30 EGEDHO Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674083 /nfs/dbraw/zinc/67/40/83/458674083.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 1 3 331.463 3.431 20 30 EGEDHO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(OCCN(C)C)cc1 ZINC000595055259 459229646 /nfs/dbraw/zinc/22/96/46/459229646.db2.gz BSTIFKBSIZWBPY-QGZVFWFLSA-N 1 3 337.467 3.392 20 30 EGEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H](C)CCC#N)CC2)c1 ZINC000602510811 459976458 /nfs/dbraw/zinc/97/64/58/459976458.db2.gz OMDZDXBOZHHKQO-HXUWFJFHSA-N 1 3 342.531 3.427 20 30 EGEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](CC)N2CCCC2)c1 ZINC000303882719 1296868737 /nfs/dbraw/zinc/86/87/37/1296868737.db2.gz IIPBKWKOMIJLLZ-OAHLLOKOSA-N 1 3 348.491 3.085 20 30 EGEDHO CCNC(NCC1CCN(Cc2ccccc2Cl)CC1)=[NH+]CC ZINC000303996705 1296891129 /nfs/dbraw/zinc/89/11/29/1296891129.db2.gz PHFJBNPIRKURBE-UHFFFAOYSA-N 1 3 336.911 3.127 20 30 EGEDHO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000402403809 1297746119 /nfs/dbraw/zinc/74/61/19/1297746119.db2.gz RYUJVUUWTORFOT-IFMALSPDSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000402403809 1297746122 /nfs/dbraw/zinc/74/61/22/1297746122.db2.gz RYUJVUUWTORFOT-IFMALSPDSA-N 1 3 349.478 3.046 20 30 EGEDHO C#CCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000781421613 1304824982 /nfs/dbraw/zinc/82/49/82/1304824982.db2.gz HTCSWFOZKOKMNB-XUVXKRRUSA-N 1 3 328.525 3.243 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231146 1324016893 /nfs/dbraw/zinc/01/68/93/1324016893.db2.gz GNYVEIFETYGJHM-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231146 1324016897 /nfs/dbraw/zinc/01/68/97/1324016897.db2.gz GNYVEIFETYGJHM-OALUTQOASA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630672 1324482275 /nfs/dbraw/zinc/48/22/75/1324482275.db2.gz UUVBCWSSNMQKBE-MSOLQXFVSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630672 1324482277 /nfs/dbraw/zinc/48/22/77/1324482277.db2.gz UUVBCWSSNMQKBE-MSOLQXFVSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009165192 1336980073 /nfs/dbraw/zinc/98/00/73/1336980073.db2.gz BWGPMEWEYGNWND-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009165192 1336980075 /nfs/dbraw/zinc/98/00/75/1336980075.db2.gz BWGPMEWEYGNWND-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041722798 1345831434 /nfs/dbraw/zinc/83/14/34/1345831434.db2.gz AGANSZZNCMTIFB-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041722798 1345831436 /nfs/dbraw/zinc/83/14/36/1345831436.db2.gz AGANSZZNCMTIFB-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045941015 1346777254 /nfs/dbraw/zinc/77/72/54/1346777254.db2.gz HHXANNNVIUNGHO-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045941015 1346777255 /nfs/dbraw/zinc/77/72/55/1346777255.db2.gz HHXANNNVIUNGHO-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001080317867 1357572537 /nfs/dbraw/zinc/57/25/37/1357572537.db2.gz DKZXAPVJFLCNDS-MISYRCLQSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001080317867 1357572538 /nfs/dbraw/zinc/57/25/38/1357572538.db2.gz DKZXAPVJFLCNDS-MISYRCLQSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509543 1360480900 /nfs/dbraw/zinc/48/09/00/1360480900.db2.gz JEFWDHYGRHIXRS-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509543 1360480902 /nfs/dbraw/zinc/48/09/02/1360480902.db2.gz JEFWDHYGRHIXRS-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662286 1360572438 /nfs/dbraw/zinc/57/24/38/1360572438.db2.gz AXVLVYNOPDLHFW-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662286 1360572439 /nfs/dbraw/zinc/57/24/39/1360572439.db2.gz AXVLVYNOPDLHFW-MOPGFXCFSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C 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ZCCZDMAMQZIJJL-MHJFOBGBSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001185317417 1387681414 /nfs/dbraw/zinc/68/14/14/1387681414.db2.gz PHLGEXCGHYECAL-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364087 1364528552 /nfs/dbraw/zinc/52/85/52/1364528552.db2.gz MXWDBUGVHRGYFO-ZVDOUQERSA-N 1 3 349.563 3.221 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364087 1364528553 /nfs/dbraw/zinc/52/85/53/1364528553.db2.gz MXWDBUGVHRGYFO-ZVDOUQERSA-N 1 3 349.563 3.221 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549466 1364612850 /nfs/dbraw/zinc/61/28/50/1364612850.db2.gz OUDZXSVPCCNONZ-SFHVURJKSA-N 1 3 337.552 3.003 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001101573921 1364628568 /nfs/dbraw/zinc/62/85/68/1364628568.db2.gz KBEHVGOCYWLVQJ-GOSISDBHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001101591298 1364642196 /nfs/dbraw/zinc/64/21/96/1364642196.db2.gz QSRVTWGRKHNXRQ-UHFFFAOYSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753739 1366157948 /nfs/dbraw/zinc/15/79/48/1366157948.db2.gz QLWUPFZNPHQYAP-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001105537557 1366517157 /nfs/dbraw/zinc/51/71/57/1366517157.db2.gz TZNJRWFCPQUTAB-MOPGFXCFSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579691 1366543141 /nfs/dbraw/zinc/54/31/41/1366543141.db2.gz SWJDYUHYOZFRNK-GOSISDBHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566563 1367047770 /nfs/dbraw/zinc/04/77/70/1367047770.db2.gz AGAZXQKPJKKGOG-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566563 1367047773 /nfs/dbraw/zinc/04/77/73/1367047773.db2.gz AGAZXQKPJKKGOG-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780670 1367592241 /nfs/dbraw/zinc/59/22/41/1367592241.db2.gz JESQKZUJYDPPPP-ZCNNSNEGSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001110626636 1367874793 /nfs/dbraw/zinc/87/47/93/1367874793.db2.gz JTQCMDUMCCPKCO-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001110626636 1367874798 /nfs/dbraw/zinc/87/47/98/1367874798.db2.gz JTQCMDUMCCPKCO-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246003 1368216697 /nfs/dbraw/zinc/21/66/97/1368216697.db2.gz IROFOXOYIHRRHN-IEBWSBKVSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246003 1368216700 /nfs/dbraw/zinc/21/67/00/1368216700.db2.gz IROFOXOYIHRRHN-IEBWSBKVSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397281 1368822481 /nfs/dbraw/zinc/82/24/81/1368822481.db2.gz ZTNZHGZNDCUCPW-BJLQDIEVSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507586 1370149079 /nfs/dbraw/zinc/14/90/79/1370149079.db2.gz TWWVSZIBPXWSBY-ROUUACIJSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734650 1370717472 /nfs/dbraw/zinc/71/74/72/1370717472.db2.gz XNEYPDAHTUICON-SFHVURJKSA-N 1 3 337.552 3.482 20 30 EGEDHO N#Cc1ccc(CCN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947129 /nfs/dbraw/zinc/94/71/29/1371947129.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 1 3 337.492 3.226 20 30 EGEDHO N#Cc1ccc(CCN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947132 /nfs/dbraw/zinc/94/71/32/1371947132.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 1 3 337.492 3.226 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209134324 1372009475 /nfs/dbraw/zinc/00/94/75/1372009475.db2.gz NWXVJFWWYFRTOY-VAMGGRTRSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209134324 1372009478 /nfs/dbraw/zinc/00/94/78/1372009478.db2.gz NWXVJFWWYFRTOY-VAMGGRTRSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791083 1372081780 /nfs/dbraw/zinc/08/17/80/1372081780.db2.gz FBWGTEURMFVCOY-GUYFDXGHSA-N 1 3 349.563 3.336 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347359 1375936197 /nfs/dbraw/zinc/93/61/97/1375936197.db2.gz WDSMRRXNKWKLPW-RBUKOAKNSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323683 1376809390 /nfs/dbraw/zinc/80/93/90/1376809390.db2.gz SCTAPCCNEUEXSS-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323683 1376809392 /nfs/dbraw/zinc/80/93/92/1376809392.db2.gz SCTAPCCNEUEXSS-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148833998 1379280058 /nfs/dbraw/zinc/28/00/58/1379280058.db2.gz QDPJUZPZSCJJCH-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148833998 1379280062 /nfs/dbraw/zinc/28/00/62/1379280062.db2.gz QDPJUZPZSCJJCH-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161208032 1382341293 /nfs/dbraw/zinc/34/12/93/1382341293.db2.gz YMYNJYRTXQWNAT-LJQANCHMSA-N 1 3 347.547 3.356 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161208032 1382341295 /nfs/dbraw/zinc/34/12/95/1382341295.db2.gz YMYNJYRTXQWNAT-LJQANCHMSA-N 1 3 347.547 3.356 20 30 EGEDHO CCCCCCC[C@H](C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161447558 1382414079 /nfs/dbraw/zinc/41/40/79/1382414079.db2.gz XXTOVMZNDYWAQN-ROUUACIJSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755069 1382495994 /nfs/dbraw/zinc/49/59/94/1382495994.db2.gz KCQDKXJKRBMYPJ-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755069 1382495999 /nfs/dbraw/zinc/49/59/99/1382495999.db2.gz KCQDKXJKRBMYPJ-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952961 1382569343 /nfs/dbraw/zinc/56/93/43/1382569343.db2.gz MYCPOKUKEHDVOL-AZUAARDMSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952961 1382569347 /nfs/dbraw/zinc/56/93/47/1382569347.db2.gz MYCPOKUKEHDVOL-AZUAARDMSA-N 1 3 347.547 3.354 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335782 1383876146 /nfs/dbraw/zinc/87/61/46/1383876146.db2.gz TUSGZJUHYJZQOR-IBGZPJMESA-N 1 3 349.563 3.483 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175297832 1385242825 /nfs/dbraw/zinc/24/28/25/1385242825.db2.gz XYDPSYDQGBTMDW-QGZVFWFLSA-N 1 3 325.541 3.195 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175318239 1385251441 /nfs/dbraw/zinc/25/14/41/1385251441.db2.gz XKCOBJFTYXZEAB-MSOLQXFVSA-N 1 3 325.541 3.338 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCCCCC ZINC001175739508 1385392028 /nfs/dbraw/zinc/39/20/28/1385392028.db2.gz PPRYAOVFFVAZSU-SFHVURJKSA-N 1 3 325.541 3.339 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C(C)C ZINC001177488479 1385976002 /nfs/dbraw/zinc/97/60/02/1385976002.db2.gz FZAJAZNYIKROOD-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001342138763 1390577063 /nfs/dbraw/zinc/57/70/63/1390577063.db2.gz BZQVIWPXMYWXCS-MJGOQNOKSA-N 1 3 335.536 3.173 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001342138763 1390577065 /nfs/dbraw/zinc/57/70/65/1390577065.db2.gz BZQVIWPXMYWXCS-MJGOQNOKSA-N 1 3 335.536 3.173 20 30 EGEDHO CN1CCN(CC2(C)CC[NH+](CCCCC3(C#N)CCC3)CC2)CC1 ZINC001334783707 1390588291 /nfs/dbraw/zinc/58/82/91/1390588291.db2.gz JPCLSCCAMKBWIS-UHFFFAOYSA-N 1 3 346.563 3.200 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754712789 1440670603 /nfs/dbraw/zinc/67/06/03/1440670603.db2.gz NJTSODDCOUHZCK-NRFANRHFSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754712768 1440670617 /nfs/dbraw/zinc/67/06/17/1440670617.db2.gz MZFCFSUPIABFIM-OAQYLSRUSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001755079316 1440750380 /nfs/dbraw/zinc/75/03/80/1440750380.db2.gz HZZQORPQJBCRGX-OAQYLSRUSA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001755079316 1440750381 /nfs/dbraw/zinc/75/03/81/1440750381.db2.gz HZZQORPQJBCRGX-OAQYLSRUSA-N 1 3 349.563 3.245 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000274810015 267290320 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N#CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470995255 458674004 /nfs/dbraw/zinc/67/40/04/458674004.db2.gz HRPSPCMRIQZQGK-SZPZYZBQSA-N 1 3 331.463 3.316 20 30 EGEDHO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512612488 458785949 /nfs/dbraw/zinc/78/59/49/458785949.db2.gz OSPUQCRPLYJHJD-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512612488 458785955 /nfs/dbraw/zinc/78/59/55/458785955.db2.gz OSPUQCRPLYJHJD-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612488 458785964 /nfs/dbraw/zinc/78/59/64/458785964.db2.gz OSPUQCRPLYJHJD-PWRODBHTSA-N 1 3 328.500 3.469 20 30 EGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000595071475 459237779 /nfs/dbraw/zinc/23/77/79/459237779.db2.gz ZZGYSQKCPAZRLV-JOCHJYFZSA-N 1 3 346.478 3.442 20 30 EGEDHO CC(C)(C#N)C[C@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000598721116 460006167 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C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023696470 1319821824 /nfs/dbraw/zinc/82/18/24/1319821824.db2.gz NUQALFUYULWQKH-WOJBJXKFSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763088 1319907147 /nfs/dbraw/zinc/90/71/47/1319907147.db2.gz CHPQSGMRQCZDPQ-GOSISDBHSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763088 1319907153 /nfs/dbraw/zinc/90/71/53/1319907153.db2.gz CHPQSGMRQCZDPQ-GOSISDBHSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762518 1319909370 /nfs/dbraw/zinc/90/93/70/1319909370.db2.gz YNEYRPZWJYZWPY-LJQANCHMSA-N 1 3 343.515 3.156 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762518 1319909377 /nfs/dbraw/zinc/90/93/77/1319909377.db2.gz YNEYRPZWJYZWPY-LJQANCHMSA-N 1 3 343.515 3.156 20 30 EGEDHO CCCCCCCOc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000841107347 1321219295 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341.499 3.003 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947968 1345607813 /nfs/dbraw/zinc/60/78/13/1345607813.db2.gz KQLFDOQURUBWGH-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947967 1345607941 /nfs/dbraw/zinc/60/79/41/1345607941.db2.gz KQLFDOQURUBWGH-KDURUIRLSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045972767 1346808757 /nfs/dbraw/zinc/80/87/57/1346808757.db2.gz ICAYNUSVEAUDIM-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045972767 1346808761 /nfs/dbraw/zinc/80/87/61/1346808761.db2.gz ICAYNUSVEAUDIM-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572203 1347599219 /nfs/dbraw/zinc/59/92/19/1347599219.db2.gz BVOHMTAVXHRWCI-YRPNKDGESA-N 1 3 347.547 3.185 20 30 EGEDHO 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C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099387 1348930966 /nfs/dbraw/zinc/93/09/66/1348930966.db2.gz VXDZZWJNIPJRQA-PKOBYXMFSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099387 1348930971 /nfs/dbraw/zinc/93/09/71/1348930971.db2.gz VXDZZWJNIPJRQA-PKOBYXMFSA-N 1 3 344.503 3.012 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089459686 1360445842 /nfs/dbraw/zinc/44/58/42/1360445842.db2.gz ZMASXBDQFOUEGC-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089459686 1360445846 /nfs/dbraw/zinc/44/58/46/1360445846.db2.gz ZMASXBDQFOUEGC-QGZVFWFLSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493563 1360470638 /nfs/dbraw/zinc/47/06/38/1360470638.db2.gz XUNAKNOKKXWKCB-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493563 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337.552 3.147 20 30 EGEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105564062 1366533311 /nfs/dbraw/zinc/53/33/11/1366533311.db2.gz VSGRBEXPDVWAEO-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001107427001 1366960725 /nfs/dbraw/zinc/96/07/25/1366960725.db2.gz ZFWVYTZKDMRYBN-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001107427001 1366960727 /nfs/dbraw/zinc/96/07/27/1366960727.db2.gz ZFWVYTZKDMRYBN-QKNQBKEWSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109428143 1367116045 /nfs/dbraw/zinc/11/60/45/1367116045.db2.gz OYDWEZFFMZAJLS-XWSJACJDSA-N 1 3 335.536 3.041 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109428143 1367116048 /nfs/dbraw/zinc/11/60/48/1367116048.db2.gz OYDWEZFFMZAJLS-XWSJACJDSA-N 1 3 335.536 3.041 20 30 EGEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968612 1367434050 /nfs/dbraw/zinc/43/40/50/1367434050.db2.gz GJIJKDQJONVROL-QYZOEREBSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227336 1368212980 /nfs/dbraw/zinc/21/29/80/1368212980.db2.gz KAPSLGZWTHJHEX-YLJYHZDGSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227336 1368212984 /nfs/dbraw/zinc/21/29/84/1368212984.db2.gz KAPSLGZWTHJHEX-YLJYHZDGSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396760 1368805633 /nfs/dbraw/zinc/80/56/33/1368805633.db2.gz NCHFPUNMBQBCSM-WOJBJXKFSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396760 1368805638 /nfs/dbraw/zinc/80/56/38/1368805638.db2.gz NCHFPUNMBQBCSM-WOJBJXKFSA-N 1 3 347.547 3.284 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425190 1368841092 /nfs/dbraw/zinc/84/10/92/1368841092.db2.gz AUVYRYBTIYGHQA-ZVDOUQERSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203652391 1370201925 /nfs/dbraw/zinc/20/19/25/1370201925.db2.gz UGYBYHWBSPHNST-ROUUACIJSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791971 1370267373 /nfs/dbraw/zinc/26/73/73/1370267373.db2.gz MMKGHIYWLPIWFW-QZTJIDSGSA-N 1 3 335.536 3.090 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001115535472 1370532134 /nfs/dbraw/zinc/53/21/34/1370532134.db2.gz XIEYLBGYVIZPEI-SFHVURJKSA-N 1 3 335.536 3.234 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457696 1370761664 /nfs/dbraw/zinc/76/16/64/1370761664.db2.gz LNNKWEXBYWCBMF-UHFFFAOYSA-N 1 3 337.552 3.269 20 30 EGEDHO C[C@H]1CCN(Cc2ccc(C#N)cc2Br)CC[C@@H]1C[NH3+] ZINC001205617472 1370812685 /nfs/dbraw/zinc/81/26/85/1370812685.db2.gz KENVZLIQEPEHGC-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120188684 1371502329 /nfs/dbraw/zinc/50/23/29/1371502329.db2.gz BNXJWSGIYKDSFN-HDICACEKSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431143 1371574135 /nfs/dbraw/zinc/57/41/35/1371574135.db2.gz PZMGSINMXICXEJ-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431143 1371574142 /nfs/dbraw/zinc/57/41/42/1371574142.db2.gz PZMGSINMXICXEJ-RTBURBONSA-N 1 3 349.563 3.243 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208448338 1371769868 /nfs/dbraw/zinc/76/98/68/1371769868.db2.gz XXIXFRFNEJOZIL-KRWDZBQOSA-N 1 3 325.541 3.268 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001210180022 1372288898 /nfs/dbraw/zinc/28/88/98/1372288898.db2.gz WLTJBUPVAWINES-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001210180022 1372288901 /nfs/dbraw/zinc/28/89/01/1372288901.db2.gz WLTJBUPVAWINES-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419494 1375365770 /nfs/dbraw/zinc/36/57/70/1375365770.db2.gz CPVKBBCCKFUKJN-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133186663 1375832191 /nfs/dbraw/zinc/83/21/91/1375832191.db2.gz YNCDJLCDIZNWGI-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001230598810 1376095250 /nfs/dbraw/zinc/09/52/50/1376095250.db2.gz ZQGQJIUYSUFZCT-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001230598810 1376095257 /nfs/dbraw/zinc/09/52/57/1376095257.db2.gz ZQGQJIUYSUFZCT-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772498 1376711935 /nfs/dbraw/zinc/71/19/35/1376711935.db2.gz FBORGRBHNIJZGS-IAGOWNOFSA-N 1 3 325.541 3.336 20 30 EGEDHO N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235968626 1376923932 /nfs/dbraw/zinc/92/39/32/1376923932.db2.gz KBIALLVPQDCAHP-OAQYLSRUSA-N 1 3 347.462 3.247 20 30 EGEDHO N#Cc1ccccc1O[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235968566 1376924052 /nfs/dbraw/zinc/92/40/52/1376924052.db2.gz ISKWMSDSXAIRKG-FQEVSTJZSA-N 1 3 333.435 3.205 20 30 EGEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691778 1377185657 /nfs/dbraw/zinc/18/56/57/1377185657.db2.gz ZNAOGJVMEGTHJS-CVEARBPZSA-N 1 3 331.932 3.124 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146585081 1378870938 /nfs/dbraw/zinc/87/09/38/1378870938.db2.gz WPQJNJMNEJSOJE-DLBZAZTESA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090398 1381125109 /nfs/dbraw/zinc/12/51/09/1381125109.db2.gz ZRQIYLFTIOHCPJ-PKOBYXMFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090398 1381125116 /nfs/dbraw/zinc/12/51/16/1381125116.db2.gz ZRQIYLFTIOHCPJ-PKOBYXMFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158486913 1381263922 /nfs/dbraw/zinc/26/39/22/1381263922.db2.gz MMURLDYCGPDAAI-MOPGFXCFSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158486913 1381263927 /nfs/dbraw/zinc/26/39/27/1381263927.db2.gz MMURLDYCGPDAAI-MOPGFXCFSA-N 1 3 337.552 3.386 20 30 EGEDHO COCCC1([NH3+])CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170374033 1384302699 /nfs/dbraw/zinc/30/26/99/1384302699.db2.gz PRVRJYLOAYRWBN-UHFFFAOYSA-N 1 3 341.499 3.220 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177342448 1385921378 /nfs/dbraw/zinc/92/13/78/1385921378.db2.gz NTJFHIZRERWTCU-IBGZPJMESA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC001340199791 1390248093 /nfs/dbraw/zinc/24/80/93/1390248093.db2.gz GLERWXOVWXGJRW-QGZVFWFLSA-N 1 3 347.528 3.166 20 30 EGEDHO C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753793903 1440489378 /nfs/dbraw/zinc/48/93/78/1440489378.db2.gz IIZVLAKYXBKICS-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001755764688 1440915851 /nfs/dbraw/zinc/91/58/51/1440915851.db2.gz XZXRZWNCDSSHAO-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C[C@H](c1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187704656 236280869 /nfs/dbraw/zinc/28/08/69/236280869.db2.gz NSWDYXTUHALXFT-QGZVFWFLSA-N 1 3 327.472 3.196 20 30 EGEDHO Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189962 153178401 /nfs/dbraw/zinc/17/84/01/153178401.db2.gz OKGLUQWIOZYFRJ-QAPCUYQASA-N 1 3 328.485 3.131 20 30 EGEDHO Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189962 153178402 /nfs/dbraw/zinc/17/84/02/153178402.db2.gz OKGLUQWIOZYFRJ-QAPCUYQASA-N 1 3 328.485 3.131 20 30 EGEDHO Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189946 153179422 /nfs/dbraw/zinc/17/94/22/153179422.db2.gz OKGLUQWIOZYFRJ-YJBOKZPZSA-N 1 3 328.485 3.131 20 30 EGEDHO Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189946 153179427 /nfs/dbraw/zinc/17/94/27/153179427.db2.gz OKGLUQWIOZYFRJ-YJBOKZPZSA-N 1 3 328.485 3.131 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433171 163005581 /nfs/dbraw/zinc/00/55/81/163005581.db2.gz CWTDPCGKCOMKRH-JTSKRJEESA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433171 163005582 /nfs/dbraw/zinc/00/55/82/163005582.db2.gz CWTDPCGKCOMKRH-JTSKRJEESA-N 1 3 349.478 3.366 20 30 EGEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000422992838 268076126 /nfs/dbraw/zinc/07/61/26/268076126.db2.gz QOIRGYAPVLEQOO-CQSZACIVSA-N 1 3 340.496 3.304 20 30 EGEDHO C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109877 453965632 /nfs/dbraw/zinc/96/56/32/453965632.db2.gz WJXNXQAAEHWYMM-NRFANRHFSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109877 453965634 /nfs/dbraw/zinc/96/56/34/453965634.db2.gz WJXNXQAAEHWYMM-NRFANRHFSA-N 1 3 349.478 3.391 20 30 EGEDHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000075007454 454673932 /nfs/dbraw/zinc/67/39/32/454673932.db2.gz XDHONDPQUUIEPH-KRWDZBQOSA-N 1 3 329.488 3.442 20 30 EGEDHO N#CCSCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285549804 455867813 /nfs/dbraw/zinc/86/78/13/455867813.db2.gz MDJLNNYOEADPCN-LJQANCHMSA-N 1 3 329.513 3.231 20 30 EGEDHO N#CCSCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285549804 455867816 /nfs/dbraw/zinc/86/78/16/455867816.db2.gz MDJLNNYOEADPCN-LJQANCHMSA-N 1 3 329.513 3.231 20 30 EGEDHO C=CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424528 457285207 /nfs/dbraw/zinc/28/52/07/457285207.db2.gz WJBXMVOYNHGYPZ-NHCUHLMSSA-N 1 3 328.500 3.302 20 30 EGEDHO C=CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424528 457285211 /nfs/dbraw/zinc/28/52/11/457285211.db2.gz WJBXMVOYNHGYPZ-NHCUHLMSSA-N 1 3 328.500 3.302 20 30 EGEDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133355 458013240 /nfs/dbraw/zinc/01/32/40/458013240.db2.gz IUAAJHIXWVFONT-ICSRJNTNSA-N 1 3 327.472 3.285 20 30 EGEDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133355 458013243 /nfs/dbraw/zinc/01/32/43/458013243.db2.gz IUAAJHIXWVFONT-ICSRJNTNSA-N 1 3 327.472 3.285 20 30 EGEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334345 458317427 /nfs/dbraw/zinc/31/74/27/458317427.db2.gz WZRDDHHWLRTQMH-FQEVSTJZSA-N 1 3 343.515 3.218 20 30 EGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422997639 458429453 /nfs/dbraw/zinc/42/94/53/458429453.db2.gz VCJMTHAEOPPJJN-QRVBRYPASA-N 1 3 329.513 3.302 20 30 EGEDHO C=C(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000501888633 459751038 /nfs/dbraw/zinc/75/10/38/459751038.db2.gz PNZTTYVRPWUPNH-UHFFFAOYSA-N 1 3 329.532 3.481 20 30 EGEDHO C=C(C)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000501888633 459751041 /nfs/dbraw/zinc/75/10/41/459751041.db2.gz PNZTTYVRPWUPNH-UHFFFAOYSA-N 1 3 329.532 3.481 20 30 EGEDHO C[C@H](CCC#N)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000602521980 459981409 /nfs/dbraw/zinc/98/14/09/459981409.db2.gz UQNIBQOEWNQVMM-LJQANCHMSA-N 1 3 328.504 3.118 20 30 EGEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700520 459997924 /nfs/dbraw/zinc/99/79/24/459997924.db2.gz OLHQHERIDBPCOM-PXNSSMCTSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700520 459997934 /nfs/dbraw/zinc/99/79/34/459997934.db2.gz OLHQHERIDBPCOM-PXNSSMCTSA-N 1 3 343.515 3.309 20 30 EGEDHO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000152976843 526605538 /nfs/dbraw/zinc/60/55/38/526605538.db2.gz CCAUEEIPXRQWDC-GOSISDBHSA-N 1 3 345.531 3.318 20 30 EGEDHO CN(c1ccccc1CNCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000759803090 1301165740 /nfs/dbraw/zinc/16/57/40/1301165740.db2.gz MVQLNMZNQXLYQR-UHFFFAOYSA-N 1 3 348.494 3.378 20 30 EGEDHO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000775408004 1303959469 /nfs/dbraw/zinc/95/94/69/1303959469.db2.gz IRCIGBHCPLFQHF-IBGZPJMESA-N 1 3 327.472 3.332 20 30 EGEDHO C#CCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000781421611 1304825451 /nfs/dbraw/zinc/82/54/51/1304825451.db2.gz HTCSWFOZKOKMNB-SLFFLAALSA-N 1 3 328.525 3.243 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961380097 1319537522 /nfs/dbraw/zinc/53/75/22/1319537522.db2.gz YWWFANNTYWZSSM-VQTJNVASSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961380097 1319537531 /nfs/dbraw/zinc/53/75/31/1319537531.db2.gz YWWFANNTYWZSSM-VQTJNVASSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630674 1324482994 /nfs/dbraw/zinc/48/29/94/1324482994.db2.gz UUVBCWSSNMQKBE-ROUUACIJSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630674 1324482997 /nfs/dbraw/zinc/48/29/97/1324482997.db2.gz UUVBCWSSNMQKBE-ROUUACIJSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034290207 1342375890 /nfs/dbraw/zinc/37/58/90/1342375890.db2.gz YSCWJMZDRLGQTA-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034290207 1342375892 /nfs/dbraw/zinc/37/58/92/1342375892.db2.gz YSCWJMZDRLGQTA-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153962 1344837480 /nfs/dbraw/zinc/83/74/80/1344837480.db2.gz LWNFVZMZZHEMPW-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153962 1344837485 /nfs/dbraw/zinc/83/74/85/1344837485.db2.gz LWNFVZMZZHEMPW-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039301714 1345004254 /nfs/dbraw/zinc/00/42/54/1345004254.db2.gz NLOYLKLWJVSUPW-RAFMOHDBSA-N 1 3 347.547 3.327 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545600 1345540341 /nfs/dbraw/zinc/54/03/41/1345540341.db2.gz RRZRAYSPZLVQDO-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545600 1345540347 /nfs/dbraw/zinc/54/03/47/1345540347.db2.gz RRZRAYSPZLVQDO-FPOVZHCZSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964618 1346799617 /nfs/dbraw/zinc/79/96/17/1346799617.db2.gz MTPMZRUHYVYXGX-CTNGQTDRSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964618 1346799619 /nfs/dbraw/zinc/79/96/19/1346799619.db2.gz MTPMZRUHYVYXGX-CTNGQTDRSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476984 1347868165 /nfs/dbraw/zinc/86/81/65/1347868165.db2.gz DXPCNSRMIOOWFS-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049476984 1347868169 /nfs/dbraw/zinc/86/81/69/1347868169.db2.gz DXPCNSRMIOOWFS-RTBURBONSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097705623 1363105718 /nfs/dbraw/zinc/10/57/18/1363105718.db2.gz SWZRHAMELSYYEC-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097705623 1363105720 /nfs/dbraw/zinc/10/57/20/1363105720.db2.gz SWZRHAMELSYYEC-ZRNYENFQSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001101027430 1364380838 /nfs/dbraw/zinc/38/08/38/1364380838.db2.gz GSPZLUQEBHJBAA-MUYFXNHWSA-N 1 3 343.515 3.201 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963305 1364792072 /nfs/dbraw/zinc/79/20/72/1364792072.db2.gz UQVRWCCCKIOWAV-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963305 1364792073 /nfs/dbraw/zinc/79/20/73/1364792073.db2.gz UQVRWCCCKIOWAV-VAMGGRTRSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185546394 1387744448 /nfs/dbraw/zinc/74/44/48/1387744448.db2.gz BKYKWKNOHXPGIX-OALUTQOASA-N 1 3 339.568 3.373 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443775 1365563741 /nfs/dbraw/zinc/56/37/41/1365563741.db2.gz LSSZVEZTYVOFAU-QRVBRYPASA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443775 1365563742 /nfs/dbraw/zinc/56/37/42/1365563742.db2.gz LSSZVEZTYVOFAU-QRVBRYPASA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563711 1366533006 /nfs/dbraw/zinc/53/30/06/1366533006.db2.gz RCWARDSWZYJUCO-MOPGFXCFSA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106673370 1366770507 /nfs/dbraw/zinc/77/05/07/1366770507.db2.gz WWRNWTKCHALZPK-FGTMMUONSA-N 1 3 337.552 3.003 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869872 1368517109 /nfs/dbraw/zinc/51/71/09/1368517109.db2.gz OAFQZPRKFMTLNU-NSHGMRRFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869872 1368517112 /nfs/dbraw/zinc/51/71/12/1368517112.db2.gz OAFQZPRKFMTLNU-NSHGMRRFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001197332667 1368790393 /nfs/dbraw/zinc/79/03/93/1368790393.db2.gz YAVIKTAFDMXBRL-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001197332667 1368790398 /nfs/dbraw/zinc/79/03/98/1368790398.db2.gz YAVIKTAFDMXBRL-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001197769782 1368892673 /nfs/dbraw/zinc/89/26/73/1368892673.db2.gz ZCYLVGDHNRDRSW-LJQANCHMSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001197769782 1368892675 /nfs/dbraw/zinc/89/26/75/1368892675.db2.gz ZCYLVGDHNRDRSW-LJQANCHMSA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198221445 1368983302 /nfs/dbraw/zinc/98/33/02/1368983302.db2.gz JPXXJHNULAIOPY-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001198221445 1368983308 /nfs/dbraw/zinc/98/33/08/1368983308.db2.gz JPXXJHNULAIOPY-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186605773 1387985281 /nfs/dbraw/zinc/98/52/81/1387985281.db2.gz UIZOAESBHNRMHD-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186605773 1387985286 /nfs/dbraw/zinc/98/52/86/1387985286.db2.gz UIZOAESBHNRMHD-IBGZPJMESA-N 1 3 349.563 3.245 20 30 EGEDHO CCCCCCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353938 1369747476 /nfs/dbraw/zinc/74/74/76/1369747476.db2.gz VANQJLVZEOTAKH-GOSISDBHSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521567 1370153368 /nfs/dbraw/zinc/15/33/68/1370153368.db2.gz KGALGXVHBCNBGI-ZWKOTPCHSA-N 1 3 335.536 3.092 20 30 EGEDHO C[NH+](C)CCCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204270607 1370427675 /nfs/dbraw/zinc/42/76/75/1370427675.db2.gz WNNOAUSHANEBQJ-LDLYASANSA-N 1 3 327.472 3.284 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648279 1370637128 /nfs/dbraw/zinc/63/71/28/1370637128.db2.gz IFGDSNFJZPGMRG-LJQANCHMSA-N 1 3 347.547 3.236 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952367 1371243110 /nfs/dbraw/zinc/24/31/10/1371243110.db2.gz LWZHGSHQJODEFV-HKUYNNGSSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189660 1371503211 /nfs/dbraw/zinc/50/32/11/1371503211.db2.gz NFNNVPPCCYVOQU-IYBDPMFKSA-N 1 3 341.927 3.020 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189660 1371503214 /nfs/dbraw/zinc/50/32/14/1371503214.db2.gz NFNNVPPCCYVOQU-IYBDPMFKSA-N 1 3 341.927 3.020 20 30 EGEDHO F[C@@H]1CNCC[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217794766 1373501406 /nfs/dbraw/zinc/50/14/06/1373501406.db2.gz NYUACXSYOSZXST-MOPGFXCFSA-N 1 3 332.464 3.440 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132153641 1375172476 /nfs/dbraw/zinc/17/24/76/1375172476.db2.gz RTTLUEIZHBSKIO-QZTJIDSGSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132153641 1375172478 /nfs/dbraw/zinc/17/24/78/1375172478.db2.gz RTTLUEIZHBSKIO-QZTJIDSGSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001227307503 1375418343 /nfs/dbraw/zinc/41/83/43/1375418343.db2.gz CHAYAQRXNFCLCG-LJQANCHMSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133177012 1375824496 /nfs/dbraw/zinc/82/44/96/1375824496.db2.gz CBJKGWRFJOMMKF-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133177013 1375824678 /nfs/dbraw/zinc/82/46/78/1375824678.db2.gz CBJKGWRFJOMMKF-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001158605253 1381316454 /nfs/dbraw/zinc/31/64/54/1381316454.db2.gz RTLJVIGLXUXDBJ-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001158605253 1381316458 /nfs/dbraw/zinc/31/64/58/1381316458.db2.gz RTLJVIGLXUXDBJ-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367685 1382084347 /nfs/dbraw/zinc/08/43/47/1382084347.db2.gz SKIWZRVIRAYHSA-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367685 1382084354 /nfs/dbraw/zinc/08/43/54/1382084354.db2.gz SKIWZRVIRAYHSA-HXUWFJFHSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCCCCCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161442740 1382412004 /nfs/dbraw/zinc/41/20/04/1382412004.db2.gz GERFKUYJHNOWMY-LJQANCHMSA-N 1 3 337.552 3.435 20 30 EGEDHO CN(C)C1(CNc2ccc3cc(C#N)c(C#N)cc3c2)CC[NH+](C)CC1 ZINC001164217579 1383167198 /nfs/dbraw/zinc/16/71/98/1383167198.db2.gz YCMBQKFVKCQDSL-UHFFFAOYSA-N 1 3 347.466 3.021 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617083 1383315458 /nfs/dbraw/zinc/31/54/58/1383315458.db2.gz ICRTYFDAHBWYTQ-SFHVURJKSA-N 1 3 337.552 3.195 20 30 EGEDHO CC1(C)C[C@@H]([NH2+]Cc2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC001171975132 1384700512 /nfs/dbraw/zinc/70/05/12/1384700512.db2.gz LDEYZHAPWWNTSQ-FQEVSTJZSA-N 1 3 334.467 3.486 20 30 EGEDHO COC1CCN(C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC001172312552 1384767128 /nfs/dbraw/zinc/76/71/28/1384767128.db2.gz GTDXWRCLCOJTKX-KRWDZBQOSA-N 1 3 341.499 3.064 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271399 1385236575 /nfs/dbraw/zinc/23/65/75/1385236575.db2.gz BBENBLFOUOSBAW-QZTJIDSGSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350918 1385560135 /nfs/dbraw/zinc/56/01/35/1385560135.db2.gz NBUZRUFUISHMOM-INIZCTEOSA-N 1 3 334.508 3.272 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176953630 1385754031 /nfs/dbraw/zinc/75/40/31/1385754031.db2.gz PIDPRDPFVMIADT-UHFFFAOYSA-N 1 3 333.520 3.428 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177317171 1385911402 /nfs/dbraw/zinc/91/14/02/1385911402.db2.gz PDNNAWGTOWDNKP-FQEVSTJZSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339435 1385919577 /nfs/dbraw/zinc/91/95/77/1385919577.db2.gz FTBANTKNPAMERP-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCCCCC)CC1 ZINC001180360345 1386774035 /nfs/dbraw/zinc/77/40/35/1386774035.db2.gz FIOGIWOYRUBBDN-UHFFFAOYSA-N 1 3 349.563 3.178 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182589481 1387192797 /nfs/dbraw/zinc/19/27/97/1387192797.db2.gz FYHACZAHCFGSQY-GOSISDBHSA-N 1 3 337.552 3.412 20 30 EGEDHO C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001754546582 1440627731 /nfs/dbraw/zinc/62/77/31/1440627731.db2.gz INUHJDGGASGZNL-RAFMOHDBSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001754786544 1440687991 /nfs/dbraw/zinc/68/79/91/1440687991.db2.gz ZMWYBNPQOSQGDR-FQEVSTJZSA-N 1 3 349.563 3.243 20 30 EGEDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285524257 267010052 /nfs/dbraw/zinc/01/00/52/267010052.db2.gz FBWCVIUCLYAKGO-GOSISDBHSA-N 1 3 340.515 3.381 20 30 EGEDHO C[NH+](C)CCCC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000123212300 454615625 /nfs/dbraw/zinc/61/56/25/454615625.db2.gz ACQTVIZPZXYKBT-UHFFFAOYSA-N 1 3 348.516 3.002 20 30 EGEDHO CC1CCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285744466 455908037 /nfs/dbraw/zinc/90/80/37/455908037.db2.gz RGUNWCQHQIDGAO-UHFFFAOYSA-N 1 3 340.515 3.239 20 30 EGEDHO C=CCOc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000195250623 455936865 /nfs/dbraw/zinc/93/68/65/455936865.db2.gz YKLCNQNZPSGTGF-HDICACEKSA-N 1 3 332.488 3.230 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368966869 458067365 /nfs/dbraw/zinc/06/73/65/458067365.db2.gz SGIFNKCIYAHJGE-UHFFFAOYSA-N 1 3 326.488 3.097 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368966869 458067368 /nfs/dbraw/zinc/06/73/68/458067368.db2.gz SGIFNKCIYAHJGE-UHFFFAOYSA-N 1 3 326.488 3.097 20 30 EGEDHO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512668207 458787024 /nfs/dbraw/zinc/78/70/24/458787024.db2.gz TYYWOWVHPQBBTL-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512668207 458787030 /nfs/dbraw/zinc/78/70/30/458787030.db2.gz TYYWOWVHPQBBTL-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512668207 458787033 /nfs/dbraw/zinc/78/70/33/458787033.db2.gz TYYWOWVHPQBBTL-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000442778298 459034083 /nfs/dbraw/zinc/03/40/83/459034083.db2.gz JQXOBLBDQQCJPB-RTBURBONSA-N 1 3 327.472 3.189 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](C)CCC#N)CC2)cc1 ZINC000602535163 459987052 /nfs/dbraw/zinc/98/70/52/459987052.db2.gz YMAGHXPWDDLIOG-KRWDZBQOSA-N 1 3 329.488 3.437 20 30 EGEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303723932 1296846306 /nfs/dbraw/zinc/84/63/06/1296846306.db2.gz ZJMVVDGEZDUPPJ-YPMHNXCESA-N 1 3 343.302 3.443 20 30 EGEDHO N#Cc1ccc([C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000763395158 1301893398 /nfs/dbraw/zinc/89/33/98/1301893398.db2.gz BZFQNKPMOUVWTJ-NRFANRHFSA-N 1 3 341.499 3.180 20 30 EGEDHO C=CCC1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895835785 1309544950 /nfs/dbraw/zinc/54/49/50/1309544950.db2.gz PAADHGFYKCPGER-UHFFFAOYSA-N 1 3 344.499 3.064 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957560319 1317457633 /nfs/dbraw/zinc/45/76/33/1317457633.db2.gz WJGBWLNISWJTIF-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)ccc1OC ZINC000817917382 1319460145 /nfs/dbraw/zinc/46/01/45/1319460145.db2.gz FJKMUGQWGMUIRP-IKGGRYGDSA-N 1 3 331.460 3.126 20 30 EGEDHO C=CCNC(=[NH2+])NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000849096527 1322076139 /nfs/dbraw/zinc/07/61/39/1322076139.db2.gz PHXVKHFMKUKNJF-UHFFFAOYSA-N 1 3 336.483 3.379 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882497 1336078803 /nfs/dbraw/zinc/07/88/03/1336078803.db2.gz PBYJVZMLDWJPPA-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC000968882497 1336078804 /nfs/dbraw/zinc/07/88/04/1336078804.db2.gz PBYJVZMLDWJPPA-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002616 1336115570 /nfs/dbraw/zinc/11/55/70/1336115570.db2.gz YQNPITSHMAOLAJ-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002616 1336115572 /nfs/dbraw/zinc/11/55/72/1336115572.db2.gz YQNPITSHMAOLAJ-VQTJNVASSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835609 1342034535 /nfs/dbraw/zinc/03/45/35/1342034535.db2.gz KCRFXQMMZPMIOZ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835609 1342034539 /nfs/dbraw/zinc/03/45/39/1342034539.db2.gz KCRFXQMMZPMIOZ-UYAOXDASSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034480288 1342537535 /nfs/dbraw/zinc/53/75/35/1342537535.db2.gz HHVNOQIOGVVIHE-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034480288 1342537537 /nfs/dbraw/zinc/53/75/37/1342537537.db2.gz HHVNOQIOGVVIHE-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034480285 1342537734 /nfs/dbraw/zinc/53/77/34/1342537734.db2.gz HHVNOQIOGVVIHE-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034480285 1342537735 /nfs/dbraw/zinc/53/77/35/1342537735.db2.gz HHVNOQIOGVVIHE-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001037848176 1344136007 /nfs/dbraw/zinc/13/60/07/1344136007.db2.gz BBZAOCARBSTXNN-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125202 1345950474 /nfs/dbraw/zinc/95/04/74/1345950474.db2.gz PLVASJILLSJPDG-IEBWSBKVSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125202 1345950475 /nfs/dbraw/zinc/95/04/75/1345950475.db2.gz PLVASJILLSJPDG-IEBWSBKVSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943854 1346779599 /nfs/dbraw/zinc/77/95/99/1346779599.db2.gz PZXULRYQQVNCIB-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943854 1346779601 /nfs/dbraw/zinc/77/96/01/1346779601.db2.gz PZXULRYQQVNCIB-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049834538 1348047725 /nfs/dbraw/zinc/04/77/25/1348047725.db2.gz BNQHLRZOWRCCDR-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049834538 1348047730 /nfs/dbraw/zinc/04/77/30/1348047730.db2.gz BNQHLRZOWRCCDR-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228874 1387282810 /nfs/dbraw/zinc/28/28/10/1387282810.db2.gz ZCHXCVHOAVJBFV-UYAOXDASSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072625 1358383523 /nfs/dbraw/zinc/38/35/23/1358383523.db2.gz LNHLEGSJIUIAJM-AABGKKOBSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072625 1358383525 /nfs/dbraw/zinc/38/35/25/1358383525.db2.gz LNHLEGSJIUIAJM-AABGKKOBSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1C ZINC001088970647 1360119370 /nfs/dbraw/zinc/11/93/70/1360119370.db2.gz JNVQSJNBXRYBNR-QYZOEREBSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1C ZINC001088970647 1360119371 /nfs/dbraw/zinc/11/93/71/1360119371.db2.gz JNVQSJNBXRYBNR-QYZOEREBSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001095533888 1362163821 /nfs/dbraw/zinc/16/38/21/1362163821.db2.gz RSRYNVWUNYVJQK-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001095533888 1362163822 /nfs/dbraw/zinc/16/38/22/1362163822.db2.gz RSRYNVWUNYVJQK-FYQPLNBISA-N 1 3 345.531 3.081 20 30 EGEDHO C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098820095 1363481845 /nfs/dbraw/zinc/48/18/45/1363481845.db2.gz FYLATBUATBHNLG-UYAOXDASSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185168067 1387631529 /nfs/dbraw/zinc/63/15/29/1387631529.db2.gz GAAQDDDTUOXBIV-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168068 1387631645 /nfs/dbraw/zinc/63/16/45/1387631645.db2.gz GAAQDDDTUOXBIV-ROUUACIJSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001099348669 1363764613 /nfs/dbraw/zinc/76/46/13/1363764613.db2.gz JXKHQOBMTLYARQ-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001099348669 1363764615 /nfs/dbraw/zinc/76/46/15/1363764615.db2.gz JXKHQOBMTLYARQ-OALUTQOASA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100383130 1364097457 /nfs/dbraw/zinc/09/74/57/1364097457.db2.gz MXLACIXNFUTLHL-ACBHZAAOSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001101547677 1364611401 /nfs/dbraw/zinc/61/14/01/1364611401.db2.gz LUMMJBRLUWHBIY-IBGZPJMESA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472184 1365074148 /nfs/dbraw/zinc/07/41/48/1365074148.db2.gz MYZXIUOVWNARHI-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCCCCC)[C@H](C)C1 ZINC001102472184 1365074151 /nfs/dbraw/zinc/07/41/51/1365074151.db2.gz MYZXIUOVWNARHI-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676421 1366127377 /nfs/dbraw/zinc/12/73/77/1366127377.db2.gz JEOLAEJZEAFWSU-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704695 1367543941 /nfs/dbraw/zinc/54/39/41/1367543941.db2.gz QIAUOFXEGHJNIW-BJLQDIEVSA-N 1 3 349.563 3.410 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451361 1368310578 /nfs/dbraw/zinc/31/05/78/1368310578.db2.gz ZKHQYUJAPAHVFR-AQNXPRMDSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451361 1368310582 /nfs/dbraw/zinc/31/05/82/1368310582.db2.gz ZKHQYUJAPAHVFR-AQNXPRMDSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203105356 1369985014 /nfs/dbraw/zinc/98/50/14/1369985014.db2.gz XHDHEBYLLQNJTJ-ROUUACIJSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921603 1370150858 /nfs/dbraw/zinc/15/08/58/1370150858.db2.gz PWTQUEJUJDWBCA-VNTMZGSJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921603 1370150862 /nfs/dbraw/zinc/15/08/62/1370150862.db2.gz PWTQUEJUJDWBCA-VNTMZGSJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203902603 1370307874 /nfs/dbraw/zinc/30/78/74/1370307874.db2.gz GZLVVKLLPVYASW-LJQANCHMSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCCCC1 ZINC001115563414 1370562825 /nfs/dbraw/zinc/56/28/25/1370562825.db2.gz UDHLHEBFBRIBMV-GOSISDBHSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCCC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206949005 1371240984 /nfs/dbraw/zinc/24/09/84/1371240984.db2.gz LSAPTYVTKJEJRW-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246707 1371906800 /nfs/dbraw/zinc/90/68/00/1371906800.db2.gz RKYARCQOPPQFOZ-MBEFBZSESA-N 1 3 347.547 3.090 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183037 1372290011 /nfs/dbraw/zinc/29/00/11/1372290011.db2.gz KFJUSJHMJRVHJU-RBUKOAKNSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001132513252 1375434157 /nfs/dbraw/zinc/43/41/57/1375434157.db2.gz QNFBNDQQVZOZJB-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001132513252 1375434161 /nfs/dbraw/zinc/43/41/61/1375434161.db2.gz QNFBNDQQVZOZJB-MJGOQNOKSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001228569349 1375600741 /nfs/dbraw/zinc/60/07/41/1375600741.db2.gz OENBNVIQXQAFIE-UHFFFAOYSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623962 1375619829 /nfs/dbraw/zinc/61/98/29/1375619829.db2.gz OTQPAQMUKQWFFA-RCCFBDPRSA-N 1 3 337.552 3.336 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228925684 1375716071 /nfs/dbraw/zinc/71/60/71/1375716071.db2.gz ZNMFRCHXJSUPIH-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185851 1375829697 /nfs/dbraw/zinc/82/96/97/1375829697.db2.gz JZNHTQSBPWBXFD-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001229463074 1375840280 /nfs/dbraw/zinc/84/02/80/1375840280.db2.gz XSLXWWGFHHZPBN-PKOBYXMFSA-N 1 3 335.536 3.185 20 30 EGEDHO C=CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)nc1 ZINC001232362014 1376450140 /nfs/dbraw/zinc/45/01/40/1376450140.db2.gz IVXSSHPJWSNEJP-UHFFFAOYSA-N 1 3 336.483 3.022 20 30 EGEDHO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)nc1 ZINC001232362014 1376450144 /nfs/dbraw/zinc/45/01/44/1376450144.db2.gz IVXSSHPJWSNEJP-UHFFFAOYSA-N 1 3 336.483 3.022 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001146614578 1378879332 /nfs/dbraw/zinc/87/93/32/1378879332.db2.gz YPJRQGPMEUINLV-MSOLQXFVSA-N 1 3 349.563 3.031 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727912 1380119303 /nfs/dbraw/zinc/11/93/03/1380119303.db2.gz HSLOAIBDPAYVPT-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727912 1380119305 /nfs/dbraw/zinc/11/93/05/1380119305.db2.gz HSLOAIBDPAYVPT-MOPGFXCFSA-N 1 3 337.552 3.434 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823999 1380137244 /nfs/dbraw/zinc/13/72/44/1380137244.db2.gz HEBBVTCXCLECDS-AEFFLSMTSA-N 1 3 325.541 3.124 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823999 1380137242 /nfs/dbraw/zinc/13/72/42/1380137242.db2.gz HEBBVTCXCLECDS-AEFFLSMTSA-N 1 3 325.541 3.124 20 30 EGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930164 1380157206 /nfs/dbraw/zinc/15/72/06/1380157206.db2.gz IDWCKGODHFPWLB-MSOLQXFVSA-N 1 3 325.541 3.146 20 30 EGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930164 1380157208 /nfs/dbraw/zinc/15/72/08/1380157208.db2.gz IDWCKGODHFPWLB-MSOLQXFVSA-N 1 3 325.541 3.146 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367684 1382084484 /nfs/dbraw/zinc/08/44/84/1382084484.db2.gz SKIWZRVIRAYHSA-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367684 1382084494 /nfs/dbraw/zinc/08/44/94/1382084494.db2.gz SKIWZRVIRAYHSA-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479455 1382119142 /nfs/dbraw/zinc/11/91/42/1382119142.db2.gz WTCQTWGUXPRIJZ-LJQANCHMSA-N 1 3 335.536 3.211 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479455 1382119145 /nfs/dbraw/zinc/11/91/45/1382119145.db2.gz WTCQTWGUXPRIJZ-LJQANCHMSA-N 1 3 335.536 3.211 20 30 EGEDHO COCCC[NH+]1CCC(N2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001172254885 1384756629 /nfs/dbraw/zinc/75/66/29/1384756629.db2.gz ZEMHHRVDOCYXJM-UHFFFAOYSA-N 1 3 340.511 3.251 20 30 EGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175297831 1385242733 /nfs/dbraw/zinc/24/27/33/1385242733.db2.gz XYDPSYDQGBTMDW-KRWDZBQOSA-N 1 3 325.541 3.195 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499622 1386499835 /nfs/dbraw/zinc/49/98/35/1386499835.db2.gz YNHNDUMFOXWOAE-QZTJIDSGSA-N 1 3 325.541 3.194 20 30 EGEDHO C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609294 1386530650 /nfs/dbraw/zinc/53/06/50/1386530650.db2.gz NBHAKEMAZCHLKV-SFHVURJKSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749110 1386570735 /nfs/dbraw/zinc/57/07/35/1386570735.db2.gz XWDFLUJNZROANO-QYZOEREBSA-N 1 3 337.552 3.432 20 30 EGEDHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752442673 1440181717 /nfs/dbraw/zinc/18/17/17/1440181717.db2.gz YMEFULDEPIZFLF-ICSRJNTNSA-N 1 3 349.563 3.386 20 30 EGEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001755275986 1440799027 /nfs/dbraw/zinc/79/90/27/1440799027.db2.gz NWWWTJNAOWQQGE-ACBHZAAOSA-N 1 3 335.536 3.185 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000274810017 267289981 /nfs/dbraw/zinc/28/99/81/267289981.db2.gz HOLDGLYGICWUBC-YHYVQYDKSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000274810017 267289984 /nfs/dbraw/zinc/28/99/84/267289984.db2.gz HOLDGLYGICWUBC-YHYVQYDKSA-N 1 3 349.478 3.092 20 30 EGEDHO CCc1cccc(NC(=[NH2+])NCc2ccccc2OCCN(C)C)c1 ZINC000264122922 455192258 /nfs/dbraw/zinc/19/22/58/455192258.db2.gz VOKICLDRISKLHC-UHFFFAOYSA-N 1 3 340.471 3.116 20 30 EGEDHO N#C[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000185786350 455621508 /nfs/dbraw/zinc/62/15/08/455621508.db2.gz NNKHEAOYLLZVOQ-VQTJNVASSA-N 1 3 340.515 3.261 20 30 EGEDHO C[NH+](C)CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000433350362 457818424 /nfs/dbraw/zinc/81/84/24/457818424.db2.gz BSSKEDBQZLWXSC-ROUUACIJSA-N 1 3 329.488 3.242 20 30 EGEDHO C=CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000448836153 458412668 /nfs/dbraw/zinc/41/26/68/458412668.db2.gz OTDFBTZRUCQAOX-UHFFFAOYSA-N 1 3 347.547 3.188 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424141460 458568568 /nfs/dbraw/zinc/56/85/68/458568568.db2.gz XFVZDULFCWJGQG-MAUKXSAKSA-N 1 3 328.460 3.021 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424141460 458568575 /nfs/dbraw/zinc/56/85/75/458568575.db2.gz XFVZDULFCWJGQG-MAUKXSAKSA-N 1 3 328.460 3.021 20 30 EGEDHO C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455901686 458618929 /nfs/dbraw/zinc/61/89/29/458618929.db2.gz GANACDOODABUEL-LJQANCHMSA-N 1 3 342.487 3.007 20 30 EGEDHO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(OCCN(C)C)c1 ZINC000467432418 458974987 /nfs/dbraw/zinc/97/49/87/458974987.db2.gz BNPHBOLSOWBQDF-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000566909054 459019942 /nfs/dbraw/zinc/01/99/42/459019942.db2.gz LFXORJGKGOFCNB-JYPHPWERSA-N 1 3 327.472 3.226 20 30 EGEDHO N#Cc1cccnc1OC1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000575980136 460044496 /nfs/dbraw/zinc/04/44/96/460044496.db2.gz VANZKYQWIHYLEJ-YEYPGUGLSA-N 1 3 348.450 3.378 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602652129 460045505 /nfs/dbraw/zinc/04/55/05/460045505.db2.gz WIFXPKIVIMTXGW-ICSRJNTNSA-N 1 3 341.499 3.197 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652129 460045511 /nfs/dbraw/zinc/04/55/11/460045511.db2.gz WIFXPKIVIMTXGW-ICSRJNTNSA-N 1 3 341.499 3.197 20 30 EGEDHO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OC ZINC000623411156 460534055 /nfs/dbraw/zinc/53/40/55/460534055.db2.gz VEROMWBUKQHDKU-CQSZACIVSA-N 1 3 338.879 3.345 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000247240117 1296385393 /nfs/dbraw/zinc/38/53/93/1296385393.db2.gz ZNZDOTUXJQRLCD-QFBILLFUSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(OC)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000247240117 1296385404 /nfs/dbraw/zinc/38/54/04/1296385404.db2.gz ZNZDOTUXJQRLCD-QFBILLFUSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289251 1324112148 /nfs/dbraw/zinc/11/21/48/1324112148.db2.gz PAGCHMZUSPKWPP-IAGOWNOFSA-N 1 3 344.503 3.109 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289251 1324112153 /nfs/dbraw/zinc/11/21/53/1324112153.db2.gz PAGCHMZUSPKWPP-IAGOWNOFSA-N 1 3 344.503 3.109 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372275 1333498700 /nfs/dbraw/zinc/49/87/00/1333498700.db2.gz BALKWSQJIGIQSU-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372275 1333498703 /nfs/dbraw/zinc/49/87/03/1333498703.db2.gz BALKWSQJIGIQSU-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918290 1340883713 /nfs/dbraw/zinc/88/37/13/1340883713.db2.gz DIGYCROEORECJZ-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918290 1340883714 /nfs/dbraw/zinc/88/37/14/1340883714.db2.gz DIGYCROEORECJZ-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044864471 1346449053 /nfs/dbraw/zinc/44/90/53/1346449053.db2.gz WYBHQSOUPDEFLC-MAUKXSAKSA-N 1 3 349.906 3.083 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945025 1346781017 /nfs/dbraw/zinc/78/10/17/1346781017.db2.gz MTPMZRUHYVYXGX-PZJWPPBQSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945025 1346781019 /nfs/dbraw/zinc/78/10/19/1346781019.db2.gz MTPMZRUHYVYXGX-PZJWPPBQSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049914871 1348109724 /nfs/dbraw/zinc/10/97/24/1348109724.db2.gz RMRFIWSXHDITSX-XUVXKRRUSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049914871 1348109726 /nfs/dbraw/zinc/10/97/26/1348109726.db2.gz RMRFIWSXHDITSX-XUVXKRRUSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099385 1348931271 /nfs/dbraw/zinc/93/12/71/1348931271.db2.gz VXDZZWJNIPJRQA-MJGOQNOKSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099385 1348931273 /nfs/dbraw/zinc/93/12/73/1348931273.db2.gz VXDZZWJNIPJRQA-MJGOQNOKSA-N 1 3 344.503 3.012 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085364375 1358479082 /nfs/dbraw/zinc/47/90/82/1358479082.db2.gz AKKFQCTVZLRSIS-QZTJIDSGSA-N 1 3 349.906 3.131 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379922 1360382865 /nfs/dbraw/zinc/38/28/65/1360382865.db2.gz APBZEJMPJZLMDJ-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089379922 1360382868 /nfs/dbraw/zinc/38/28/68/1360382868.db2.gz APBZEJMPJZLMDJ-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229715 1363703294 /nfs/dbraw/zinc/70/32/94/1363703294.db2.gz MFYXKXYUESRRPX-MSOLQXFVSA-N 1 3 337.552 3.290 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001101596068 1364646701 /nfs/dbraw/zinc/64/67/01/1364646701.db2.gz IEKREBMVLZSFKW-UHFFFAOYSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186081868 1387862816 /nfs/dbraw/zinc/86/28/16/1387862816.db2.gz CDUOKGNUQPLEBA-RTBURBONSA-N 1 3 337.552 3.410 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540399 1368920837 /nfs/dbraw/zinc/92/08/37/1368920837.db2.gz UZQLFGHEEPWUBH-ZVDOUQERSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001198230182 1368985036 /nfs/dbraw/zinc/98/50/36/1368985036.db2.gz XPJHBHOUORRUAL-SFHVURJKSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001198230182 1368985038 /nfs/dbraw/zinc/98/50/38/1368985038.db2.gz XPJHBHOUORRUAL-SFHVURJKSA-N 1 3 343.515 3.251 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285772 1369851182 /nfs/dbraw/zinc/85/11/82/1369851182.db2.gz TVXKLNWNFVMXCT-BWTSREIZSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285772 1369851189 /nfs/dbraw/zinc/85/11/89/1369851189.db2.gz TVXKLNWNFVMXCT-BWTSREIZSA-N 1 3 349.563 3.268 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120189723 1371502827 /nfs/dbraw/zinc/50/28/27/1371502827.db2.gz PVDHUGRWAGYCSS-QZTJIDSGSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431141 1371573787 /nfs/dbraw/zinc/57/37/87/1371573787.db2.gz PZMGSINMXICXEJ-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120431141 1371573788 /nfs/dbraw/zinc/57/37/88/1371573788.db2.gz PZMGSINMXICXEJ-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121799055 1372084753 /nfs/dbraw/zinc/08/47/53/1372084753.db2.gz ZNMBDWSAFJJDAU-WZXTXQKWSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001227307501 1375418438 /nfs/dbraw/zinc/41/84/38/1375418438.db2.gz CHAYAQRXNFCLCG-IBGZPJMESA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337136 1375930050 /nfs/dbraw/zinc/93/00/50/1375930050.db2.gz JFXKADZYKPEVJS-XLIONFOSSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146582171 1378871338 /nfs/dbraw/zinc/87/13/38/1378871338.db2.gz FINLAHAQYNLXOR-IRXDYDNUSA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158026919 1381106343 /nfs/dbraw/zinc/10/63/43/1381106343.db2.gz BUSRMHCOXUWRRC-AZUAARDMSA-N 1 3 335.536 3.223 20 30 EGEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCCN2CCN(C)CC2)cc1 ZINC001161710247 1382486634 /nfs/dbraw/zinc/48/66/34/1382486634.db2.gz AUDIOQPGNAVZET-OAQYLSRUSA-N 1 3 342.531 3.059 20 30 EGEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCCN2CCN(C)CC2)cc1 ZINC001161710247 1382486636 /nfs/dbraw/zinc/48/66/36/1382486636.db2.gz AUDIOQPGNAVZET-OAQYLSRUSA-N 1 3 342.531 3.059 20 30 EGEDHO C=CCCC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302343 1383867235 /nfs/dbraw/zinc/86/72/35/1383867235.db2.gz OTFDKOMSPLGBHC-UHFFFAOYSA-N 1 3 343.515 3.204 20 30 EGEDHO COCCC[NH+]1CCC(N2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001172253743 1384756742 /nfs/dbraw/zinc/75/67/42/1384756742.db2.gz ACXVBELLJMSAAQ-UHFFFAOYSA-N 1 3 341.499 3.239 20 30 EGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262177 1385232280 /nfs/dbraw/zinc/23/22/80/1385232280.db2.gz CPZZEKCYBJOURK-APWZRJJASA-N 1 3 341.515 3.040 20 30 EGEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001700446195 1414022747 /nfs/dbraw/zinc/02/27/47/1414022747.db2.gz KFBBSSCCNQMOBL-MRXNPFEDSA-N 1 3 343.943 3.076 20 30 EGEDHO C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706656 1440202696 /nfs/dbraw/zinc/20/26/96/1440202696.db2.gz IPVQXZMVHIQMSG-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001752706656 1440202697 /nfs/dbraw/zinc/20/26/97/1440202697.db2.gz IPVQXZMVHIQMSG-OALUTQOASA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784218 1440210457 /nfs/dbraw/zinc/21/04/57/1440210457.db2.gz XNZAMIUMPDKIOZ-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784218 1440210458 /nfs/dbraw/zinc/21/04/58/1440210458.db2.gz XNZAMIUMPDKIOZ-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001753557388 1440436308 /nfs/dbraw/zinc/43/63/08/1440436308.db2.gz KLPNIPPGKKDJEP-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001753786547 1440488269 /nfs/dbraw/zinc/48/82/69/1440488269.db2.gz QSCHHYFIANWMKL-IBGZPJMESA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001754351352 1440590871 /nfs/dbraw/zinc/59/08/71/1440590871.db2.gz NQZFSFLQKPXBTD-VQTJNVASSA-N 1 3 343.515 3.203 20 30 EGEDHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001754549739 1440629508 /nfs/dbraw/zinc/62/95/08/1440629508.db2.gz RDRXSCRMJZVEFE-FQEVSTJZSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001754549739 1440629509 /nfs/dbraw/zinc/62/95/09/1440629509.db2.gz RDRXSCRMJZVEFE-FQEVSTJZSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001754567808 1440636277 /nfs/dbraw/zinc/63/62/77/1440636277.db2.gz UEDFRVPEQFMAEH-PZJWPPBQSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001754567808 1440636278 /nfs/dbraw/zinc/63/62/78/1440636278.db2.gz UEDFRVPEQFMAEH-PZJWPPBQSA-N 1 3 349.563 3.223 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001754695754 1440667073 /nfs/dbraw/zinc/66/70/73/1440667073.db2.gz SNZIYFPZXZDAQN-WIYYLYMNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001755028968 1440730400 /nfs/dbraw/zinc/73/04/00/1440730400.db2.gz KIKJRWTUBVGUSB-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001755028968 1440730401 /nfs/dbraw/zinc/73/04/01/1440730401.db2.gz KIKJRWTUBVGUSB-RBUKOAKNSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001755764685 1440915796 /nfs/dbraw/zinc/91/57/96/1440915796.db2.gz XZXRZWNCDSSHAO-MSOLQXFVSA-N 1 3 335.536 3.042 20 30 EGEDHO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000268714358 252164175 /nfs/dbraw/zinc/16/41/75/252164175.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 1 3 349.478 3.046 20 30 EGEDHO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000268714358 252164177 /nfs/dbraw/zinc/16/41/77/252164177.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 1 3 349.478 3.046 20 30 EGEDHO C=CCC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000121024398 454380302 /nfs/dbraw/zinc/38/03/02/454380302.db2.gz ZIQXAFVGAGGVNX-NRFANRHFSA-N 1 3 328.500 3.478 20 30 EGEDHO C=C(C)COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000294720669 455824978 /nfs/dbraw/zinc/82/49/78/455824978.db2.gz CLTDSODLPQYLOY-AYHJJNSGSA-N 1 3 330.472 3.365 20 30 EGEDHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278791613 455848495 /nfs/dbraw/zinc/84/84/95/455848495.db2.gz QLPKJGBHCDYPOK-FUHIMQAGSA-N 1 3 329.488 3.488 20 30 EGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226856 457784617 /nfs/dbraw/zinc/78/46/17/457784617.db2.gz IMZBKPJOFFCGHQ-NSHGMRRFSA-N 1 3 341.499 3.243 20 30 EGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226856 457784626 /nfs/dbraw/zinc/78/46/26/457784626.db2.gz IMZBKPJOFFCGHQ-NSHGMRRFSA-N 1 3 341.499 3.243 20 30 EGEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596705 457785485 /nfs/dbraw/zinc/78/54/85/457785485.db2.gz YOPCCPBKQXFFBZ-LJQANCHMSA-N 1 3 349.563 3.388 20 30 EGEDHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978195 458405509 /nfs/dbraw/zinc/40/55/09/458405509.db2.gz JCJSTUOPFQYWJP-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978195 458405512 /nfs/dbraw/zinc/40/55/12/458405512.db2.gz JCJSTUOPFQYWJP-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978195 458405514 /nfs/dbraw/zinc/40/55/14/458405514.db2.gz JCJSTUOPFQYWJP-SFHVURJKSA-N 1 3 340.515 3.111 20 30 EGEDHO C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422988255 458429563 /nfs/dbraw/zinc/42/95/63/458429563.db2.gz KBSPAGPZOGPXCJ-RXQRSOPUSA-N 1 3 327.472 3.368 20 30 EGEDHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423562980 458458666 /nfs/dbraw/zinc/45/86/66/458458666.db2.gz KKMAZDORZVIKCP-SFHVURJKSA-N 1 3 348.494 3.202 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C#N)c1 ZINC000481173816 459237636 /nfs/dbraw/zinc/23/76/36/459237636.db2.gz GXUSOWIUPQJHLX-PGRDOPGGSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C#N)c1 ZINC000481173816 459237640 /nfs/dbraw/zinc/23/76/40/459237640.db2.gz GXUSOWIUPQJHLX-PGRDOPGGSA-N 1 3 349.478 3.437 20 30 EGEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612860 459962563 /nfs/dbraw/zinc/96/25/63/459962563.db2.gz CFYMXXOGVXPGTP-SJORKVTESA-N 1 3 349.544 3.111 20 30 EGEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612860 459962569 /nfs/dbraw/zinc/96/25/69/459962569.db2.gz CFYMXXOGVXPGTP-SJORKVTESA-N 1 3 349.544 3.111 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440431 460221877 /nfs/dbraw/zinc/22/18/77/460221877.db2.gz CGFBJJYGCQCCAV-LPHOPBHVSA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594440431 460221879 /nfs/dbraw/zinc/22/18/79/460221879.db2.gz CGFBJJYGCQCCAV-LPHOPBHVSA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815549 460983859 /nfs/dbraw/zinc/98/38/59/460983859.db2.gz WVWSFYBHJBYPMZ-OXQOHEQNSA-N 1 3 327.472 3.026 20 30 EGEDHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815549 460983866 /nfs/dbraw/zinc/98/38/66/460983866.db2.gz WVWSFYBHJBYPMZ-OXQOHEQNSA-N 1 3 327.472 3.026 20 30 EGEDHO C=CC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000662721651 461357000 /nfs/dbraw/zinc/35/70/00/461357000.db2.gz SPYJQXHCFXTLHU-UTKZUKDTSA-N 1 3 341.499 3.027 20 30 EGEDHO C=CC[C@@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000662721652 461357212 /nfs/dbraw/zinc/35/72/12/461357212.db2.gz SPYJQXHCFXTLHU-UWJYYQICSA-N 1 3 341.499 3.027 20 30 EGEDHO C=CCOc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543939 461759181 /nfs/dbraw/zinc/75/91/81/461759181.db2.gz UQWBHVLKYKXYDC-RBUKOAKNSA-N 1 3 344.499 3.472 20 30 EGEDHO C=CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656786438 461897219 /nfs/dbraw/zinc/89/72/19/461897219.db2.gz SPWALRHHWNANMW-IBGZPJMESA-N 1 3 344.499 3.472 20 30 EGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000657919101 462317033 /nfs/dbraw/zinc/31/70/33/462317033.db2.gz KBHJDFOIAAHMGS-UYAOXDASSA-N 1 3 343.515 3.203 20 30 EGEDHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000181707275 533918302 /nfs/dbraw/zinc/91/83/02/533918302.db2.gz DDZCDXSHSIVJIQ-KRWDZBQOSA-N 1 3 349.478 3.366 20 30 EGEDHO COc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000742367084 576774249 /nfs/dbraw/zinc/77/42/49/576774249.db2.gz JLHRSTJOVNOSPP-IAGOWNOFSA-N 1 3 329.488 3.415 20 30 EGEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000178035982 1294712091 /nfs/dbraw/zinc/71/20/91/1294712091.db2.gz KWOFJJWEUOOUDL-FHWLQOOXSA-N 1 3 344.499 3.239 20 30 EGEDHO CCc1cccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)c1 ZINC000303911844 1296880523 /nfs/dbraw/zinc/88/05/23/1296880523.db2.gz ZVQKLFOFXKRBLF-UHFFFAOYSA-N 1 3 336.483 3.424 20 30 EGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513729 1298239273 /nfs/dbraw/zinc/23/92/73/1298239273.db2.gz PEQAOCLLSYRKAQ-CRAIPNDOSA-N 1 3 325.481 3.477 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819025074 1319617443 /nfs/dbraw/zinc/61/74/43/1319617443.db2.gz XNJDIEPGKLHYJF-KRWDZBQOSA-N 1 3 342.405 3.369 20 30 EGEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000924693289 1323115691 /nfs/dbraw/zinc/11/56/91/1323115691.db2.gz XFYIGOJHVJAKRZ-SFHVURJKSA-N 1 3 342.531 3.242 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155987 1336165251 /nfs/dbraw/zinc/16/52/51/1336165251.db2.gz GQJNVALKGYZKKD-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155987 1336165252 /nfs/dbraw/zinc/16/52/52/1336165252.db2.gz GQJNVALKGYZKKD-LJQANCHMSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039448116 1345073399 /nfs/dbraw/zinc/07/33/99/1345073399.db2.gz WVYCLQQTKGAFFP-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039448116 1345073403 /nfs/dbraw/zinc/07/34/03/1345073403.db2.gz WVYCLQQTKGAFFP-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207720 1345375890 /nfs/dbraw/zinc/37/58/90/1345375890.db2.gz GYRLUADTMLBOKB-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207720 1345375892 /nfs/dbraw/zinc/37/58/92/1345375892.db2.gz GYRLUADTMLBOKB-NRFANRHFSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918810 1348112151 /nfs/dbraw/zinc/11/21/51/1348112151.db2.gz MRGKCGNIOGPELK-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918810 1348112153 /nfs/dbraw/zinc/11/21/53/1348112153.db2.gz MRGKCGNIOGPELK-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141748 1349153549 /nfs/dbraw/zinc/15/35/49/1349153549.db2.gz ORDPGCSHGPTUQF-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141748 1349153555 /nfs/dbraw/zinc/15/35/55/1349153555.db2.gz ORDPGCSHGPTUQF-TZIWHRDSSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001085352624 1358476537 /nfs/dbraw/zinc/47/65/37/1358476537.db2.gz PQUHKWBOYWRLQW-BRWVUGGUSA-N 1 3 341.927 3.020 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089645941 1360558425 /nfs/dbraw/zinc/55/84/25/1360558425.db2.gz DSUZALCTYQFUSW-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089645941 1360558428 /nfs/dbraw/zinc/55/84/28/1360558428.db2.gz DSUZALCTYQFUSW-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001099348670 1363764480 /nfs/dbraw/zinc/76/44/80/1363764480.db2.gz JXKHQOBMTLYARQ-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001099348670 1363764483 /nfs/dbraw/zinc/76/44/83/1363764483.db2.gz JXKHQOBMTLYARQ-RBUKOAKNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562316 1364163954 /nfs/dbraw/zinc/16/39/54/1364163954.db2.gz ITNCMMFCWYTCHU-UHFFFAOYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101521797 1364596351 /nfs/dbraw/zinc/59/63/51/1364596351.db2.gz BIPMJTXQJKAVMU-MJGOQNOKSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001101586237 1364637051 /nfs/dbraw/zinc/63/70/51/1364637051.db2.gz RAPPCRQBQQNDST-UHFFFAOYSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439446 1365561776 /nfs/dbraw/zinc/56/17/76/1365561776.db2.gz AVHPNGZMRQNOTD-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439446 1365561777 /nfs/dbraw/zinc/56/17/77/1365561777.db2.gz AVHPNGZMRQNOTD-QZTJIDSGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)CCC1 ZINC001105563134 1366532105 /nfs/dbraw/zinc/53/21/05/1366532105.db2.gz FBGWXRWKPLABDK-SFHVURJKSA-N 1 3 347.547 3.045 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578917 1366542704 /nfs/dbraw/zinc/54/27/04/1366542704.db2.gz IANGBAMYEDOCJB-IBGZPJMESA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540463 1368920557 /nfs/dbraw/zinc/92/05/57/1368920557.db2.gz YHRRKQCRKVCDMF-ZJOUEHCJSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921604 1370150750 /nfs/dbraw/zinc/15/07/50/1370150750.db2.gz PWTQUEJUJDWBCA-ZRNYENFQSA-N 1 3 347.547 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921604 1370150756 /nfs/dbraw/zinc/15/07/56/1370150756.db2.gz PWTQUEJUJDWBCA-ZRNYENFQSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203524682 1370155464 /nfs/dbraw/zinc/15/54/64/1370155464.db2.gz YVBGYEAFRDNZSV-MSOLQXFVSA-N 1 3 337.552 3.316 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208373878 1371741603 /nfs/dbraw/zinc/74/16/03/1371741603.db2.gz RJOPLTBLDFYCSK-MSOLQXFVSA-N 1 3 325.541 3.124 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCC2S1 ZINC001208584435 1371827152 /nfs/dbraw/zinc/82/71/52/1371827152.db2.gz FTAJAXXPVISWGD-MOPGFXCFSA-N 1 3 342.508 3.315 20 30 EGEDHO O=C1C=C2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)CCC2S1 ZINC001208584435 1371827158 /nfs/dbraw/zinc/82/71/58/1371827158.db2.gz FTAJAXXPVISWGD-MOPGFXCFSA-N 1 3 342.508 3.315 20 30 EGEDHO C[N@@H+]1CCC[C@@H](CN2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615622 1371840918 /nfs/dbraw/zinc/84/09/18/1371840918.db2.gz IJUWKEFEHSZDRM-OAHLLOKOSA-N 1 3 347.890 3.397 20 30 EGEDHO C[N@H+]1CCC[C@@H](CN2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615622 1371840924 /nfs/dbraw/zinc/84/09/24/1371840924.db2.gz IJUWKEFEHSZDRM-OAHLLOKOSA-N 1 3 347.890 3.397 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919361 1372122961 /nfs/dbraw/zinc/12/29/61/1372122961.db2.gz CKMRTPLIHYQGRZ-RLLQIKCJSA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919361 1372122967 /nfs/dbraw/zinc/12/29/67/1372122967.db2.gz CKMRTPLIHYQGRZ-RLLQIKCJSA-N 1 3 343.515 3.182 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634430 1373093473 /nfs/dbraw/zinc/09/34/73/1373093473.db2.gz NULSTNBYYFSLSN-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215567703 1373213264 /nfs/dbraw/zinc/21/32/64/1373213264.db2.gz FXMRFLREESZWJL-QZTJIDSGSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552951 1373780547 /nfs/dbraw/zinc/78/05/47/1373780547.db2.gz LLFYTMOUWIYQIU-GUDVDZBRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552951 1373780552 /nfs/dbraw/zinc/78/05/52/1373780552.db2.gz LLFYTMOUWIYQIU-GUDVDZBRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001223164314 1375033158 /nfs/dbraw/zinc/03/31/58/1375033158.db2.gz JWVCDFMOCBQJRC-HXUWFJFHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224739564 1375072628 /nfs/dbraw/zinc/07/26/28/1375072628.db2.gz PEUXKTCWEPCGDH-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230287178 1375986071 /nfs/dbraw/zinc/98/60/71/1375986071.db2.gz YOHMWJUALABKTC-AQNXPRMDSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476615 1377110613 /nfs/dbraw/zinc/11/06/13/1377110613.db2.gz LJGKZLNBBUBUDJ-QZTJIDSGSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCCCC[C@H](N)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424465 1382405167 /nfs/dbraw/zinc/40/51/67/1382405167.db2.gz IECUYZJMIZJUDZ-FQEVSTJZSA-N 1 3 343.515 3.231 20 30 EGEDHO CCCCCCC[C@@H](C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161447554 1382413949 /nfs/dbraw/zinc/41/39/49/1382413949.db2.gz XXTOVMZNDYWAQN-MSOLQXFVSA-N 1 3 325.541 3.125 20 30 EGEDHO CC(C)[C@H](C#N)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164212924 1383166540 /nfs/dbraw/zinc/16/65/40/1383166540.db2.gz KLGUSMXNJNXMMH-IBGZPJMESA-N 1 3 328.504 3.388 20 30 EGEDHO N#Cc1ccccc1OCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973086 1383782382 /nfs/dbraw/zinc/78/23/82/1383782382.db2.gz GELZOJNVOSOPTN-IHWFROFDSA-N 1 3 339.483 3.322 20 30 EGEDHO N#Cc1ccccc1OCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973086 1383782384 /nfs/dbraw/zinc/78/23/84/1383782384.db2.gz GELZOJNVOSOPTN-IHWFROFDSA-N 1 3 339.483 3.322 20 30 EGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001171193793 1384465258 /nfs/dbraw/zinc/46/52/58/1384465258.db2.gz CCVUKELQJATUNM-GOSISDBHSA-N 1 3 348.494 3.386 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890223 1385733793 /nfs/dbraw/zinc/73/37/93/1385733793.db2.gz NEMZZVUUBKAESA-UHFFFAOYSA-N 1 3 333.520 3.428 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345217 1385922456 /nfs/dbraw/zinc/92/24/56/1385922456.db2.gz UXGFXAMCRCPNBL-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177378497 1385934850 /nfs/dbraw/zinc/93/48/50/1385934850.db2.gz DBYDFHXZMDYFTE-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415906 1385948533 /nfs/dbraw/zinc/94/85/33/1385948533.db2.gz ODMXRINSCJGJAT-GOSISDBHSA-N 1 3 335.536 3.045 20 30 EGEDHO C[C@@H]1C[C@@H](NCCNc2ncccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001347441825 1391075560 /nfs/dbraw/zinc/07/55/60/1391075560.db2.gz JZPFLNVLFOIYNB-XLIONFOSSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@@H]1C[C@@H](NCCNc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001347441825 1391075563 /nfs/dbraw/zinc/07/55/63/1391075563.db2.gz JZPFLNVLFOIYNB-XLIONFOSSA-N 1 3 349.482 3.008 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784220 1440210323 /nfs/dbraw/zinc/21/03/23/1440210323.db2.gz XNZAMIUMPDKIOZ-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752784220 1440210324 /nfs/dbraw/zinc/21/03/24/1440210324.db2.gz XNZAMIUMPDKIOZ-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001753312493 1440357078 /nfs/dbraw/zinc/35/70/78/1440357078.db2.gz SBUXRABLCSKFOK-ICSRJNTNSA-N 1 3 343.515 3.274 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001754828413 1440693922 /nfs/dbraw/zinc/69/39/22/1440693922.db2.gz KHCZVTBIGMGNRS-FXAWDEMLSA-N 1 3 343.515 3.012 20 30 EGEDHO COc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1C#N ZINC000174346428 533668734 /nfs/dbraw/zinc/66/87/34/533668734.db2.gz DOVPVGSTKIVLOK-FQEVSTJZSA-N 1 3 349.478 3.221 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000274810018 267290129 /nfs/dbraw/zinc/29/01/29/267290129.db2.gz HOLDGLYGICWUBC-ZPMCFJSWSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000274810018 267290132 /nfs/dbraw/zinc/29/01/32/267290132.db2.gz HOLDGLYGICWUBC-ZPMCFJSWSA-N 1 3 349.478 3.092 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000539086294 314295552 /nfs/dbraw/zinc/29/55/52/314295552.db2.gz GFYTUAWUOPRKSK-PGRDOPGGSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000539086294 314295554 /nfs/dbraw/zinc/29/55/54/314295554.db2.gz GFYTUAWUOPRKSK-PGRDOPGGSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CN1CCCCC1 ZINC000069783921 454144920 /nfs/dbraw/zinc/14/49/20/454144920.db2.gz YWAXZGDBBPIEHM-SFHVURJKSA-N 1 3 328.504 3.248 20 30 EGEDHO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185665474 455592407 /nfs/dbraw/zinc/59/24/07/455592407.db2.gz OYJOPXZMRUSGNP-AEFFLSMTSA-N 1 3 327.472 3.180 20 30 EGEDHO Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601533 455764279 /nfs/dbraw/zinc/76/42/79/455764279.db2.gz OKGLUQWIOZYFRJ-CRAIPNDOSA-N 1 3 328.485 3.131 20 30 EGEDHO Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601533 455764283 /nfs/dbraw/zinc/76/42/83/455764283.db2.gz OKGLUQWIOZYFRJ-CRAIPNDOSA-N 1 3 328.485 3.131 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000280875741 456070241 /nfs/dbraw/zinc/07/02/41/456070241.db2.gz OSDKTFREUXCHKJ-KPFFTGBYSA-N 1 3 332.488 3.259 20 30 EGEDHO NCc1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc(C(F)(F)F)c1 ZINC000328588923 456714359 /nfs/dbraw/zinc/71/43/59/456714359.db2.gz YSBUZJYBKWJYQF-IAQYHMDHSA-N 1 3 327.350 3.142 20 30 EGEDHO C=CCc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000369204972 458122247 /nfs/dbraw/zinc/12/22/47/458122247.db2.gz QOLWMLCUPXZPGQ-UHFFFAOYSA-N 1 3 344.499 3.437 20 30 EGEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334348 458317701 /nfs/dbraw/zinc/31/77/01/458317701.db2.gz WZRDDHHWLRTQMH-HXUWFJFHSA-N 1 3 343.515 3.218 20 30 EGEDHO CN(c1ccccc1CNCC(C)(C)CC#N)C1CC[NH+](C)CC1 ZINC000459728873 458459971 /nfs/dbraw/zinc/45/99/71/458459971.db2.gz JMYFISYJWHJKDA-UHFFFAOYSA-N 1 3 328.504 3.246 20 30 EGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000453373788 458525687 /nfs/dbraw/zinc/52/56/87/458525687.db2.gz WUXBCMDMHFHGTR-XNTOXWQXSA-N 1 3 326.484 3.220 20 30 EGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453373787 458526094 /nfs/dbraw/zinc/52/60/94/458526094.db2.gz WUXBCMDMHFHGTR-QSUVIHHLSA-N 1 3 326.484 3.220 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000517756691 458831730 /nfs/dbraw/zinc/83/17/30/458831730.db2.gz KXLSBTMACUTZHP-FQEVSTJZSA-N 1 3 339.483 3.093 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000517756691 458831739 /nfs/dbraw/zinc/83/17/39/458831739.db2.gz KXLSBTMACUTZHP-FQEVSTJZSA-N 1 3 339.483 3.093 20 30 EGEDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611392618 460353762 /nfs/dbraw/zinc/35/37/62/460353762.db2.gz YZAIDWIIXCYCEU-FVJLSDCUSA-N 1 3 341.499 3.415 20 30 EGEDHO C[NH+](C)CCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748792 460430545 /nfs/dbraw/zinc/43/05/45/460430545.db2.gz PAAUEHZBFYCWSZ-UHFFFAOYSA-N 1 3 343.858 3.442 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NCC(C)(C)N2CCCCC2)cc1 ZINC000303779674 1296851468 /nfs/dbraw/zinc/85/14/68/1296851468.db2.gz KUNMGRBSOHUWSD-UHFFFAOYSA-N 1 3 332.492 3.465 20 30 EGEDHO CCN(CC)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CC(C)C ZINC000304508357 1296930663 /nfs/dbraw/zinc/93/06/63/1296930663.db2.gz VTDOJNFQUPRCLM-AEFFLSMTSA-N 1 3 346.519 3.171 20 30 EGEDHO C#Cc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000825227337 1320319780 /nfs/dbraw/zinc/31/97/80/1320319780.db2.gz SLZUBKQODCZOMU-UHFFFAOYSA-N 1 3 334.463 3.432 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945088476 1332496299 /nfs/dbraw/zinc/49/62/99/1332496299.db2.gz BSLMMEKSWKMQML-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945088476 1332496301 /nfs/dbraw/zinc/49/63/01/1332496301.db2.gz BSLMMEKSWKMQML-YLJYHZDGSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056952 1333358514 /nfs/dbraw/zinc/35/85/14/1333358514.db2.gz OOZMSYXUESLCSS-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056952 1333358515 /nfs/dbraw/zinc/35/85/15/1333358515.db2.gz OOZMSYXUESLCSS-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034480289 1342537882 /nfs/dbraw/zinc/53/78/82/1342537882.db2.gz HHVNOQIOGVVIHE-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034480289 1342537885 /nfs/dbraw/zinc/53/78/85/1342537885.db2.gz HHVNOQIOGVVIHE-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716922 1343649592 /nfs/dbraw/zinc/64/95/92/1343649592.db2.gz NQWBVFLZRZSMAE-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036716922 1343649593 /nfs/dbraw/zinc/64/95/93/1343649593.db2.gz NQWBVFLZRZSMAE-RTBURBONSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001037980901 1344218140 /nfs/dbraw/zinc/21/81/40/1344218140.db2.gz BGMSMELPHCNZOU-ICSRJNTNSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037981733 1344218656 /nfs/dbraw/zinc/21/86/56/1344218656.db2.gz GVOLFQCSUUHUFS-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063376 1345933498 /nfs/dbraw/zinc/93/34/98/1345933498.db2.gz VTQDVCDNKUVRMZ-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063376 1345933499 /nfs/dbraw/zinc/93/34/99/1345933499.db2.gz VTQDVCDNKUVRMZ-MOPGFXCFSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045940601 1346776553 /nfs/dbraw/zinc/77/65/53/1346776553.db2.gz BFCRKVDJWAJEBK-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045940601 1346776555 /nfs/dbraw/zinc/77/65/55/1346776555.db2.gz BFCRKVDJWAJEBK-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664479 1347963273 /nfs/dbraw/zinc/96/32/73/1347963273.db2.gz QLEMOFGWESTVGS-XUVXKRRUSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664479 1347963275 /nfs/dbraw/zinc/96/32/75/1347963275.db2.gz QLEMOFGWESTVGS-XUVXKRRUSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664478 1347963317 /nfs/dbraw/zinc/96/33/17/1347963317.db2.gz QLEMOFGWESTVGS-VAMGGRTRSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664478 1347963319 /nfs/dbraw/zinc/96/33/19/1347963319.db2.gz QLEMOFGWESTVGS-VAMGGRTRSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001080317868 1357572482 /nfs/dbraw/zinc/57/24/82/1357572482.db2.gz DKZXAPVJFLCNDS-RLLQIKCJSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001080317868 1357572484 /nfs/dbraw/zinc/57/24/84/1357572484.db2.gz DKZXAPVJFLCNDS-RLLQIKCJSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918990 1358879257 /nfs/dbraw/zinc/87/92/57/1358879257.db2.gz QKQYELVEHPKBIC-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918990 1358879261 /nfs/dbraw/zinc/87/92/61/1358879261.db2.gz QKQYELVEHPKBIC-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457842 1360444839 /nfs/dbraw/zinc/44/48/39/1360444839.db2.gz HBOFJKFBWRVIAC-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457842 1360444841 /nfs/dbraw/zinc/44/48/41/1360444841.db2.gz HBOFJKFBWRVIAC-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509420 1360480916 /nfs/dbraw/zinc/48/09/16/1360480916.db2.gz BRTHLJJZKWKQJF-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509420 1360480918 /nfs/dbraw/zinc/48/09/18/1360480918.db2.gz BRTHLJJZKWKQJF-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510642 1360482205 /nfs/dbraw/zinc/48/22/05/1360482205.db2.gz ZHEZOHXTFDZSTE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089510642 1360482207 /nfs/dbraw/zinc/48/22/07/1360482207.db2.gz ZHEZOHXTFDZSTE-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733968 1360638668 /nfs/dbraw/zinc/63/86/68/1360638668.db2.gz DPBSNDWCJCRSKM-GOSISDBHSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130845 1363642668 /nfs/dbraw/zinc/64/26/68/1363642668.db2.gz SXWZSKDIWRSSHA-QGZVFWFLSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001099130845 1363642672 /nfs/dbraw/zinc/64/26/72/1363642672.db2.gz SXWZSKDIWRSSHA-QGZVFWFLSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001100729990 1364238429 /nfs/dbraw/zinc/23/84/29/1364238429.db2.gz ZCCZDMAMQZIJJL-SOAGJPPSSA-N 1 3 349.563 3.480 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001102599510 1365131397 /nfs/dbraw/zinc/13/13/97/1365131397.db2.gz JEFBNIYUMTYGCL-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001102599510 1365131398 /nfs/dbraw/zinc/13/13/98/1365131398.db2.gz JEFBNIYUMTYGCL-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434320 1365557442 /nfs/dbraw/zinc/55/74/42/1365557442.db2.gz YXDDVGKFVYCPCU-HSALFYBXSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434320 1365557446 /nfs/dbraw/zinc/55/74/46/1365557446.db2.gz YXDDVGKFVYCPCU-HSALFYBXSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436448 1365559003 /nfs/dbraw/zinc/55/90/03/1365559003.db2.gz YRNDPNMDCVPLIB-XUVXKRRUSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436448 1365559004 /nfs/dbraw/zinc/55/90/04/1365559004.db2.gz YRNDPNMDCVPLIB-XUVXKRRUSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438318 1365560990 /nfs/dbraw/zinc/56/09/90/1365560990.db2.gz BATRBYZJEODLAR-CEXWTWQISA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438318 1365560992 /nfs/dbraw/zinc/56/09/92/1365560992.db2.gz BATRBYZJEODLAR-CEXWTWQISA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741699 1387788047 /nfs/dbraw/zinc/78/80/47/1387788047.db2.gz OJCNMWWYNXQZPH-PXNSSMCTSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568476 1366536346 /nfs/dbraw/zinc/53/63/46/1366536346.db2.gz QATIZGFWEPYKAM-LJQANCHMSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407595 1366954700 /nfs/dbraw/zinc/95/47/00/1366954700.db2.gz BYOSXVYAYVMXRV-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407595 1366954701 /nfs/dbraw/zinc/95/47/01/1366954701.db2.gz BYOSXVYAYVMXRV-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001111262495 1368229237 /nfs/dbraw/zinc/22/92/37/1368229237.db2.gz SIYARZYVBAWWNG-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001111262495 1368229244 /nfs/dbraw/zinc/22/92/44/1368229244.db2.gz SIYARZYVBAWWNG-ZRNYENFQSA-N 1 3 347.547 3.329 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215616 1368569174 /nfs/dbraw/zinc/56/91/74/1368569174.db2.gz PQPKXPRASBHKRU-SFHVURJKSA-N 1 3 325.541 3.077 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215616 1368569177 /nfs/dbraw/zinc/56/91/77/1368569177.db2.gz PQPKXPRASBHKRU-SFHVURJKSA-N 1 3 325.541 3.077 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001197332664 1368790016 /nfs/dbraw/zinc/79/00/16/1368790016.db2.gz YAVIKTAFDMXBRL-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001197332664 1368790020 /nfs/dbraw/zinc/79/00/20/1368790020.db2.gz YAVIKTAFDMXBRL-MOPGFXCFSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791967 1370267133 /nfs/dbraw/zinc/26/71/33/1370267133.db2.gz MMKGHIYWLPIWFW-MSOLQXFVSA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCCCCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115592182 1370592944 /nfs/dbraw/zinc/59/29/44/1370592944.db2.gz XNEYPDAHTUICON-GOSISDBHSA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951373 1371243117 /nfs/dbraw/zinc/24/31/17/1371243117.db2.gz NREVTLPLOJEOLA-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208402160 1371755021 /nfs/dbraw/zinc/75/50/21/1371755021.db2.gz WNUPTYMZWVNTSZ-MISYRCLQSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208402160 1371755026 /nfs/dbraw/zinc/75/50/26/1371755026.db2.gz WNUPTYMZWVNTSZ-MISYRCLQSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767544 1372074698 /nfs/dbraw/zinc/07/46/98/1372074698.db2.gz GQHCKEKPBGPLCQ-PMRGXDQWSA-N 1 3 349.563 3.458 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181935 1375827257 /nfs/dbraw/zinc/82/72/57/1375827257.db2.gz LHQFXAJADMEILK-RBUKOAKNSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286113 1375984602 /nfs/dbraw/zinc/98/46/02/1375984602.db2.gz ATBYHPQXWPXEFF-QRVBRYPASA-N 1 3 335.536 3.090 20 30 EGEDHO C=CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235702059 1376884973 /nfs/dbraw/zinc/88/49/73/1376884973.db2.gz IFQHBJSZEARFKK-UHFFFAOYSA-N 1 3 338.451 3.453 20 30 EGEDHO C=CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235702059 1376884981 /nfs/dbraw/zinc/88/49/81/1376884981.db2.gz IFQHBJSZEARFKK-UHFFFAOYSA-N 1 3 338.451 3.453 20 30 EGEDHO N#CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001137120646 1377481578 /nfs/dbraw/zinc/48/15/78/1377481578.db2.gz YTLBJHZYNCWVDE-SFTDATJTSA-N 1 3 347.462 3.153 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585502 1378872161 /nfs/dbraw/zinc/87/21/61/1378872161.db2.gz ZAMPZXIOXHXMGI-IRXDYDNUSA-N 1 3 331.504 3.201 20 30 EGEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148839959 1379280934 /nfs/dbraw/zinc/28/09/34/1379280934.db2.gz WCCXYECNKAFEEI-LJQANCHMSA-N 1 3 349.563 3.366 20 30 EGEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148839959 1379280941 /nfs/dbraw/zinc/28/09/41/1379280941.db2.gz WCCXYECNKAFEEI-LJQANCHMSA-N 1 3 349.563 3.366 20 30 EGEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCCC)CC1 ZINC001157092086 1380774138 /nfs/dbraw/zinc/77/41/38/1380774138.db2.gz JRINXTYWQIAXLA-LJQANCHMSA-N 1 3 349.563 3.129 20 30 EGEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCCCCC)CC1 ZINC001157092086 1380774141 /nfs/dbraw/zinc/77/41/41/1380774141.db2.gz JRINXTYWQIAXLA-LJQANCHMSA-N 1 3 349.563 3.129 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079732 1381122505 /nfs/dbraw/zinc/12/25/05/1381122505.db2.gz OCWHLOSCKLQXGI-UHFFFAOYSA-N 1 3 325.541 3.317 20 30 EGEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913752 1381460655 /nfs/dbraw/zinc/46/06/55/1381460655.db2.gz AVEUSWJFTCCQLL-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913752 1381460659 /nfs/dbraw/zinc/46/06/59/1381460659.db2.gz AVEUSWJFTCCQLL-HXUWFJFHSA-N 1 3 343.515 3.251 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165719056 1383332087 /nfs/dbraw/zinc/33/20/87/1383332087.db2.gz YWQMYMLYEBZWIN-QGZVFWFLSA-N 1 3 325.541 3.173 20 30 EGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001171193794 1384465432 /nfs/dbraw/zinc/46/54/32/1384465432.db2.gz CCVUKELQJATUNM-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737958 1385677430 /nfs/dbraw/zinc/67/74/30/1385677430.db2.gz OAUWSQFJZJETGL-KRWDZBQOSA-N 1 3 331.504 3.203 20 30 EGEDHO CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181896157 1387072121 /nfs/dbraw/zinc/07/21/21/1387072121.db2.gz KPQFSPPIBCGJHY-QWFCFKBJSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623370 1387198069 /nfs/dbraw/zinc/19/80/69/1387198069.db2.gz LIMIYWSBTRZIPP-YLJYHZDGSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752538179 1440194372 /nfs/dbraw/zinc/19/43/72/1440194372.db2.gz FDURBYGZNITUGB-YSTOQKLRSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752538179 1440194373 /nfs/dbraw/zinc/19/43/73/1440194373.db2.gz FDURBYGZNITUGB-YSTOQKLRSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001753562605 1440437170 /nfs/dbraw/zinc/43/71/70/1440437170.db2.gz SYCXHVXFEFBHEO-OALUTQOASA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001753671451 1440462176 /nfs/dbraw/zinc/46/21/76/1440462176.db2.gz ZQHJRZIPSSUMHT-UHFFFAOYSA-N 1 3 343.515 3.347 20 30 EGEDHO C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001754546581 1440627860 /nfs/dbraw/zinc/62/78/60/1440627860.db2.gz INUHJDGGASGZNL-NXEWRWPSSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001754722514 1440674047 /nfs/dbraw/zinc/67/40/47/1440674047.db2.gz ZECKQCZYOMVBPO-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000311203362 154147783 /nfs/dbraw/zinc/14/77/83/154147783.db2.gz LLKCBSOBWOHNQW-LJQANCHMSA-N 1 3 335.451 3.179 20 30 EGEDHO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185704990 267182306 /nfs/dbraw/zinc/18/23/06/267182306.db2.gz XCDUSJDHLRJIGJ-FUHWJXTLSA-N 1 3 327.472 3.180 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000539086293 314295575 /nfs/dbraw/zinc/29/55/75/314295575.db2.gz GFYTUAWUOPRKSK-GCJKJVERSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000539086293 314295577 /nfs/dbraw/zinc/29/55/77/314295577.db2.gz GFYTUAWUOPRKSK-GCJKJVERSA-N 1 3 349.478 3.437 20 30 EGEDHO CC[C@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000564320734 316136083 /nfs/dbraw/zinc/13/60/83/316136083.db2.gz LTNRZISGUSWTCV-BTRQGYIVSA-N 1 3 327.472 3.368 20 30 EGEDHO CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCN1 ZINC000564320734 316136085 /nfs/dbraw/zinc/13/60/85/316136085.db2.gz LTNRZISGUSWTCV-BTRQGYIVSA-N 1 3 327.472 3.368 20 30 EGEDHO CCCC[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433355449 457818023 /nfs/dbraw/zinc/81/80/23/457818023.db2.gz WDFWQDGYEAJHGJ-GOSISDBHSA-N 1 3 327.472 3.140 20 30 EGEDHO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512612486 458785742 /nfs/dbraw/zinc/78/57/42/458785742.db2.gz OSPUQCRPLYJHJD-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512612486 458785746 /nfs/dbraw/zinc/78/57/46/458785746.db2.gz OSPUQCRPLYJHJD-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612486 458785752 /nfs/dbraw/zinc/78/57/52/458785752.db2.gz OSPUQCRPLYJHJD-NJDAHSKKSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512617776 458786721 /nfs/dbraw/zinc/78/67/21/458786721.db2.gz GRXHBZJGMFUGDM-XSDIEEQYSA-N 1 3 328.500 3.061 20 30 EGEDHO C=CCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512668209 458787073 /nfs/dbraw/zinc/78/70/73/458787073.db2.gz TYYWOWVHPQBBTL-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668209 458787077 /nfs/dbraw/zinc/78/70/77/458787077.db2.gz TYYWOWVHPQBBTL-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=CCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668209 458787082 /nfs/dbraw/zinc/78/70/82/458787082.db2.gz TYYWOWVHPQBBTL-PCCBWWKXSA-N 1 3 328.500 3.469 20 30 EGEDHO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(OCCN(C)C)cc1 ZINC000595055258 459229479 /nfs/dbraw/zinc/22/94/79/459229479.db2.gz BSTIFKBSIZWBPY-KRWDZBQOSA-N 1 3 337.467 3.392 20 30 EGEDHO CC1CC[NH+](Cc2ccccc2CNC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598716179 460002918 /nfs/dbraw/zinc/00/29/18/460002918.db2.gz ZFLHEXWUXCOVEF-HXUWFJFHSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598714688 460003781 /nfs/dbraw/zinc/00/37/81/460003781.db2.gz IJVAYAFNEMMWBA-YLJYHZDGSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598714688 460003787 /nfs/dbraw/zinc/00/37/87/460003787.db2.gz IJVAYAFNEMMWBA-YLJYHZDGSA-N 1 3 343.515 3.451 20 30 EGEDHO N#Cc1cccnc1OC1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000575980134 460045474 /nfs/dbraw/zinc/04/54/74/460045474.db2.gz VANZKYQWIHYLEJ-MPIRFRCKSA-N 1 3 348.450 3.378 20 30 EGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000657868256 462303509 /nfs/dbraw/zinc/30/35/09/462303509.db2.gz MUUQUPDSLSMHRJ-AZUAARDMSA-N 1 3 343.515 3.203 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280237316 547371930 /nfs/dbraw/zinc/37/19/30/547371930.db2.gz VTAFDKGGNWCROA-GOSISDBHSA-N 1 3 330.472 3.321 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164772327 1294352631 /nfs/dbraw/zinc/35/26/31/1294352631.db2.gz JQIOASXFAZAKQR-XLIONFOSSA-N 1 3 344.499 3.436 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164772327 1294352637 /nfs/dbraw/zinc/35/26/37/1294352637.db2.gz JQIOASXFAZAKQR-XLIONFOSSA-N 1 3 344.499 3.436 20 30 EGEDHO C=CCc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000246563331 1296360766 /nfs/dbraw/zinc/36/07/66/1296360766.db2.gz LSJQHBFGMQKFHZ-FUHWJXTLSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000246563331 1296360775 /nfs/dbraw/zinc/36/07/75/1296360775.db2.gz LSJQHBFGMQKFHZ-FUHWJXTLSA-N 1 3 330.472 3.045 20 30 EGEDHO C#Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000809619457 1317846829 /nfs/dbraw/zinc/84/68/29/1317846829.db2.gz ZIOBBYVURUNVKW-UHFFFAOYSA-N 1 3 334.463 3.432 20 30 EGEDHO CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817916971 1319459677 /nfs/dbraw/zinc/45/96/77/1319459677.db2.gz BXGNBVRRBWCNRS-KDOFPFPSSA-N 1 3 338.455 3.381 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961403572 1319559694 /nfs/dbraw/zinc/55/96/94/1319559694.db2.gz WQPCDIHTEUTDHK-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961403572 1319559699 /nfs/dbraw/zinc/55/96/99/1319559699.db2.gz WQPCDIHTEUTDHK-WOJBJXKFSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819023344 1319616482 /nfs/dbraw/zinc/61/64/82/1319616482.db2.gz FWALHUCUASRYAF-KRWDZBQOSA-N 1 3 326.843 3.143 20 30 EGEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001026610706 1324932666 /nfs/dbraw/zinc/93/26/66/1324932666.db2.gz SPUQHRXQHIITMN-UHFFFAOYSA-N 1 3 349.906 3.131 20 30 EGEDHO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968856714 1336069833 /nfs/dbraw/zinc/06/98/33/1336069833.db2.gz NCKRQWYMQDFNBW-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC000968856714 1336069834 /nfs/dbraw/zinc/06/98/34/1336069834.db2.gz NCKRQWYMQDFNBW-RTBURBONSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210592 1342320537 /nfs/dbraw/zinc/32/05/37/1342320537.db2.gz IAUYMLUHOWRCIE-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210592 1342320540 /nfs/dbraw/zinc/32/05/40/1342320540.db2.gz IAUYMLUHOWRCIE-RTBURBONSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039448077 1345073028 /nfs/dbraw/zinc/07/30/28/1345073028.db2.gz VZRUTIBTKADCNG-HSALFYBXSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039448077 1345073031 /nfs/dbraw/zinc/07/30/31/1345073031.db2.gz VZRUTIBTKADCNG-HSALFYBXSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049760674 1348005644 /nfs/dbraw/zinc/00/56/44/1348005644.db2.gz AXXJZFKGZIOIBN-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049760674 1348005645 /nfs/dbraw/zinc/00/56/45/1348005645.db2.gz AXXJZFKGZIOIBN-XUVXKRRUSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCN3CC)cc2C1 ZINC001054292355 1349298165 /nfs/dbraw/zinc/29/81/65/1349298165.db2.gz BBKKVMLZJVHAQG-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCN3CC)cc2C1 ZINC001054292355 1349298169 /nfs/dbraw/zinc/29/81/69/1349298169.db2.gz BBKKVMLZJVHAQG-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001085352625 1358476649 /nfs/dbraw/zinc/47/66/49/1358476649.db2.gz PQUHKWBOYWRLQW-GVDBMIGSSA-N 1 3 341.927 3.020 20 30 EGEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560702 1360508462 /nfs/dbraw/zinc/50/84/62/1360508462.db2.gz FFUXFGKMIXOVPI-LJQANCHMSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560702 1360508463 /nfs/dbraw/zinc/50/84/63/1360508463.db2.gz FFUXFGKMIXOVPI-LJQANCHMSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184557439 1387491844 /nfs/dbraw/zinc/49/18/44/1387491844.db2.gz XOOGYTLIGZDUEE-MOPGFXCFSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001098191452 1363250278 /nfs/dbraw/zinc/25/02/78/1363250278.db2.gz GTUSYABYQUZTQD-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001098191452 1363250282 /nfs/dbraw/zinc/25/02/82/1363250282.db2.gz GTUSYABYQUZTQD-YSTOQKLRSA-N 1 3 347.547 3.329 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001101583422 1364635484 /nfs/dbraw/zinc/63/54/84/1364635484.db2.gz XDYBJEURLLDLOD-UHFFFAOYSA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348609 1365982298 /nfs/dbraw/zinc/98/22/98/1365982298.db2.gz KWIPRQRKEUFGOP-GUDVDZBRSA-N 1 3 339.568 3.371 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105560845 1366530540 /nfs/dbraw/zinc/53/05/40/1366530540.db2.gz DIJLYHPTLJTDBH-MOPGFXCFSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578656 1366542069 /nfs/dbraw/zinc/54/20/69/1366542069.db2.gz DCIHCPDSZLWPAL-GOSISDBHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034214 1366861854 /nfs/dbraw/zinc/86/18/54/1366861854.db2.gz PNYRVMVBLHBTBG-IEBWSBKVSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566564 1367047551 /nfs/dbraw/zinc/04/75/51/1367047551.db2.gz AGAZXQKPJKKGOG-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566564 1367047558 /nfs/dbraw/zinc/04/75/58/1367047558.db2.gz AGAZXQKPJKKGOG-SFHLNBCPSA-N 1 3 347.547 3.188 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196009981 1368534277 /nfs/dbraw/zinc/53/42/77/1368534277.db2.gz IJGPCVTYKYZHOU-GOSISDBHSA-N 1 3 343.531 3.171 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196009981 1368534281 /nfs/dbraw/zinc/53/42/81/1368534281.db2.gz IJGPCVTYKYZHOU-GOSISDBHSA-N 1 3 343.531 3.171 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112507106 1368906361 /nfs/dbraw/zinc/90/63/61/1368906361.db2.gz XDJPUAYXGFMJLW-RXVVDRJESA-N 1 3 347.547 3.045 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585604 1368938432 /nfs/dbraw/zinc/93/84/32/1368938432.db2.gz HRUMDCOOMVZVOQ-ZJOUEHCJSA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203652388 1370202140 /nfs/dbraw/zinc/20/21/40/1370202140.db2.gz UGYBYHWBSPHNST-MSOLQXFVSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001115730955 1370714232 /nfs/dbraw/zinc/71/42/32/1370714232.db2.gz VORXKCKANWIOSQ-UHFFFAOYSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490414 1370771006 /nfs/dbraw/zinc/77/10/06/1370771006.db2.gz DWQSRVCMHRDNFB-IBGZPJMESA-N 1 3 337.552 3.147 20 30 EGEDHO C[C@H]1CCN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205627205 1370816198 /nfs/dbraw/zinc/81/61/98/1370816198.db2.gz NVZCKRJHDJOOSK-GXTWGEPZSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@H]1CCN(Cc2cc(C#N)ccc2Br)CC[C@H]1C[NH3+] ZINC001205627206 1370816816 /nfs/dbraw/zinc/81/68/16/1370816816.db2.gz NVZCKRJHDJOOSK-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206002898 1370934769 /nfs/dbraw/zinc/93/47/69/1370934769.db2.gz CJWMWDCLRDNBRX-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO N#Cc1ccc(CCN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001208925779 1371947435 /nfs/dbraw/zinc/94/74/35/1371947435.db2.gz RIRMPBZKSNGGPJ-RTBURBONSA-N 1 3 337.492 3.226 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120904 1375786828 /nfs/dbraw/zinc/78/68/28/1375786828.db2.gz CDWCIIPJRTUJKS-ZWKOTPCHSA-N 1 3 337.552 3.005 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133186664 1375832008 /nfs/dbraw/zinc/83/20/08/1375832008.db2.gz YNCDJLCDIZNWGI-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001229461940 1375840546 /nfs/dbraw/zinc/84/05/46/1375840546.db2.gz GEKSOZZNAFKXDD-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229932935 1375920547 /nfs/dbraw/zinc/92/05/47/1375920547.db2.gz DLOVYYFZXADJDJ-IAGOWNOFSA-N 1 3 332.492 3.024 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347360 1375936184 /nfs/dbraw/zinc/93/61/84/1375936184.db2.gz WDSMRRXNKWKLPW-RTBURBONSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001230334428 1376000137 /nfs/dbraw/zinc/00/01/37/1376000137.db2.gz WFSZAVZXWKKOCF-ROUUACIJSA-N 1 3 337.552 3.410 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266251837 1377249058 /nfs/dbraw/zinc/24/90/58/1377249058.db2.gz HIMLCISSXXNDRD-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266251837 1377249063 /nfs/dbraw/zinc/24/90/63/1377249063.db2.gz HIMLCISSXXNDRD-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO CCN1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]2C1 ZINC001139404443 1377880215 /nfs/dbraw/zinc/88/02/15/1377880215.db2.gz HGUFQFUMPFIYCV-WOJBJXKFSA-N 1 3 332.451 3.004 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458291 1379176047 /nfs/dbraw/zinc/17/60/47/1379176047.db2.gz MFZIOGJWYYSLEJ-IBGZPJMESA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458291 1379176049 /nfs/dbraw/zinc/17/60/49/1379176049.db2.gz MFZIOGJWYYSLEJ-IBGZPJMESA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829137 1380138987 /nfs/dbraw/zinc/13/89/87/1380138987.db2.gz ZRFFYGKCTXRNLX-QGZVFWFLSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829137 1380138991 /nfs/dbraw/zinc/13/89/91/1380138991.db2.gz ZRFFYGKCTXRNLX-QGZVFWFLSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160478840 1382117537 /nfs/dbraw/zinc/11/75/37/1382117537.db2.gz AQACQRASQNHKHF-LJQANCHMSA-N 1 3 337.552 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160478840 1382117539 /nfs/dbraw/zinc/11/75/39/1382117539.db2.gz AQACQRASQNHKHF-LJQANCHMSA-N 1 3 337.552 3.435 20 30 EGEDHO CN(C)/C=[NH+]/c1ccc(N[C@@H]2CNCc3ccsc32)cc1C#N ZINC001163231569 1383001030 /nfs/dbraw/zinc/00/10/30/1383001030.db2.gz WUSYFTCCFVHWLU-MBTVCVBTSA-N 1 3 325.441 3.098 20 30 EGEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165809476 1383348931 /nfs/dbraw/zinc/34/89/31/1383348931.db2.gz GIKKMWONVSKKAU-UHFFFAOYSA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248351 1384478380 /nfs/dbraw/zinc/47/83/80/1384478380.db2.gz SZUIADZIGATEBQ-MJGOQNOKSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177339448 1385919797 /nfs/dbraw/zinc/91/97/97/1385919797.db2.gz GIDDFGKQEHDFLX-FQEVSTJZSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001177484680 1385973963 /nfs/dbraw/zinc/97/39/63/1385973963.db2.gz HQLFXRGMQAWDPG-HDICACEKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C(C)C ZINC001177488427 1385975786 /nfs/dbraw/zinc/97/57/86/1385975786.db2.gz CCUBWLUXPUCYIA-UHFFFAOYSA-N 1 3 343.943 3.078 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001723633040 1424499694 /nfs/dbraw/zinc/49/96/94/1424499694.db2.gz CMWKLUNJCGDXRR-AABGKKOBSA-N 1 3 349.563 3.384 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001723633040 1424499698 /nfs/dbraw/zinc/49/96/98/1424499698.db2.gz CMWKLUNJCGDXRR-AABGKKOBSA-N 1 3 349.563 3.384 20 30 EGEDHO C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001754351350 1440590903 /nfs/dbraw/zinc/59/09/03/1440590903.db2.gz NQZFSFLQKPXBTD-PMACEKPBSA-N 1 3 343.515 3.203 20 30 EGEDHO CCC[NH+]1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000160124216 140953710 /nfs/dbraw/zinc/95/37/10/140953710.db2.gz NBCSSPRIKHPRDR-GOSISDBHSA-N 1 3 344.478 3.130 20 30 EGEDHO C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453367651 269879719 /nfs/dbraw/zinc/87/97/19/269879719.db2.gz DNSLRTRVCCRQKH-HNNXBMFYSA-N 1 3 341.430 3.489 20 30 EGEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954239 267180395 /nfs/dbraw/zinc/18/03/95/267180395.db2.gz PJLMAEOHPAZQGS-VHKYSDTDSA-N 1 3 345.462 3.116 20 30 EGEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190765013 455379405 /nfs/dbraw/zinc/37/94/05/455379405.db2.gz ABZYJEKJMXVTMX-KRWDZBQOSA-N 1 3 336.483 3.418 20 30 EGEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190765013 455379410 /nfs/dbraw/zinc/37/94/10/455379410.db2.gz ABZYJEKJMXVTMX-KRWDZBQOSA-N 1 3 336.483 3.418 20 30 EGEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028761 454264475 /nfs/dbraw/zinc/26/44/75/454264475.db2.gz ODCJFKYWDRHJJJ-ROUUACIJSA-N 1 3 343.515 3.203 20 30 EGEDHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000105458107 454639213 /nfs/dbraw/zinc/63/92/13/454639213.db2.gz IOFQGKAODJBUFZ-LJQANCHMSA-N 1 3 328.504 3.246 20 30 EGEDHO C=CCN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272700887 456044439 /nfs/dbraw/zinc/04/44/39/456044439.db2.gz YOXNPDGKLOUXLL-UYAOXDASSA-N 1 3 327.516 3.137 20 30 EGEDHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000343544219 456696789 /nfs/dbraw/zinc/69/67/89/456696789.db2.gz XMOPJXKGGYVVNA-ROUUACIJSA-N 1 3 341.499 3.074 20 30 EGEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433226857 457783452 /nfs/dbraw/zinc/78/34/52/457783452.db2.gz IMZBKPJOFFCGHQ-QWFCFKBJSA-N 1 3 341.499 3.243 20 30 EGEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000423336830 458430659 /nfs/dbraw/zinc/43/06/59/458430659.db2.gz JVOLUVNKJIKKDL-APWZRJJASA-N 1 3 329.488 3.135 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000442778293 459034427 /nfs/dbraw/zinc/03/44/27/459034427.db2.gz JQXOBLBDQQCJPB-MOPGFXCFSA-N 1 3 327.472 3.189 20 30 EGEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754709 460432009 /nfs/dbraw/zinc/43/20/09/460432009.db2.gz ISSKOGGCSAZNGG-BEFAXECRSA-N 1 3 349.906 3.438 20 30 EGEDHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000191439160 528070679 /nfs/dbraw/zinc/07/06/79/528070679.db2.gz FSNSKQXWRWCVSN-UHFFFAOYSA-N 1 3 342.531 3.186 20 30 EGEDHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000191439160 528070680 /nfs/dbraw/zinc/07/06/80/528070680.db2.gz FSNSKQXWRWCVSN-UHFFFAOYSA-N 1 3 342.531 3.186 20 30 EGEDHO C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262452609 1296633112 /nfs/dbraw/zinc/63/31/12/1296633112.db2.gz KCLNWPDLHAFTJR-ZDUSSCGKSA-N 1 3 340.924 3.037 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647587 1317519399 /nfs/dbraw/zinc/51/93/99/1317519399.db2.gz ODIXWSQAIXFCSG-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377062 1319532265 /nfs/dbraw/zinc/53/22/65/1319532265.db2.gz WQPCDIHTEUTDHK-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377062 1319532272 /nfs/dbraw/zinc/53/22/72/1319532272.db2.gz WQPCDIHTEUTDHK-UXHICEINSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023695617 1319821406 /nfs/dbraw/zinc/82/14/06/1319821406.db2.gz COOZPYMZVWICML-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001023695617 1319821415 /nfs/dbraw/zinc/82/14/15/1319821415.db2.gz COOZPYMZVWICML-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO CCCCCCCOc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000841108378 1321219639 /nfs/dbraw/zinc/21/96/39/1321219639.db2.gz XTOJXLLMTJYZFK-UHFFFAOYSA-N 1 3 334.504 3.321 20 30 EGEDHO C=C(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849077816 1322069159 /nfs/dbraw/zinc/06/91/59/1322069159.db2.gz NVYTTZYHBQFLSS-UHFFFAOYSA-N 1 3 348.494 3.478 20 30 EGEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440559 1323401502 /nfs/dbraw/zinc/40/15/02/1323401502.db2.gz RHWXKRHJNVPNIB-AZUAARDMSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440559 1323401509 /nfs/dbraw/zinc/40/15/09/1323401509.db2.gz RHWXKRHJNVPNIB-AZUAARDMSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440682 1323402358 /nfs/dbraw/zinc/40/23/58/1323402358.db2.gz RHWXKRHJNVPNIB-QUCCMNQESA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440682 1323402366 /nfs/dbraw/zinc/40/23/66/1323402366.db2.gz RHWXKRHJNVPNIB-QUCCMNQESA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000964015567 1325475680 /nfs/dbraw/zinc/47/56/80/1325475680.db2.gz VFXGJJFXBLIBLZ-CTWPCTMYSA-N 1 3 335.536 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056951 1333358485 /nfs/dbraw/zinc/35/84/85/1333358485.db2.gz OOZMSYXUESLCSS-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056951 1333358486 /nfs/dbraw/zinc/35/84/86/1333358486.db2.gz OOZMSYXUESLCSS-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948373329 1333499313 /nfs/dbraw/zinc/49/93/13/1333499313.db2.gz MNQXKSPHKUYIKN-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948373329 1333499316 /nfs/dbraw/zinc/49/93/16/1333499316.db2.gz MNQXKSPHKUYIKN-GOSISDBHSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928453 1336092804 /nfs/dbraw/zinc/09/28/04/1336092804.db2.gz LFBBNKSZLULRRH-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928453 1336092806 /nfs/dbraw/zinc/09/28/06/1336092806.db2.gz LFBBNKSZLULRRH-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153693 1336164439 /nfs/dbraw/zinc/16/44/39/1336164439.db2.gz NBTODIUQPLJSMU-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153693 1336164442 /nfs/dbraw/zinc/16/44/42/1336164442.db2.gz NBTODIUQPLJSMU-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862259 1338751313 /nfs/dbraw/zinc/75/13/13/1338751313.db2.gz UYPQNFACVAENFX-RTBURBONSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918291 1340883677 /nfs/dbraw/zinc/88/36/77/1340883677.db2.gz DIGYCROEORECJZ-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001028918291 1340883679 /nfs/dbraw/zinc/88/36/79/1340883679.db2.gz DIGYCROEORECJZ-RTBURBONSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918288 1340883703 /nfs/dbraw/zinc/88/37/03/1340883703.db2.gz DIGYCROEORECJZ-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001028918288 1340883704 /nfs/dbraw/zinc/88/37/04/1340883704.db2.gz DIGYCROEORECJZ-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001040874738 1345591993 /nfs/dbraw/zinc/59/19/93/1345591993.db2.gz KMIKOVXHUVSZBD-IBGZPJMESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875168 1345592726 /nfs/dbraw/zinc/59/27/26/1345592726.db2.gz UQRFKHGFAKHBHL-IBGZPJMESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099487 1355129277 /nfs/dbraw/zinc/12/92/77/1355129277.db2.gz RKMPXUHXRFYODN-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099487 1355129278 /nfs/dbraw/zinc/12/92/78/1355129278.db2.gz RKMPXUHXRFYODN-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049662 1358378522 /nfs/dbraw/zinc/37/85/22/1358378522.db2.gz QSXBDAWFNIJBIN-AQNXPRMDSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049662 1358378525 /nfs/dbraw/zinc/37/85/25/1358378525.db2.gz QSXBDAWFNIJBIN-AQNXPRMDSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085433150 1358498045 /nfs/dbraw/zinc/49/80/45/1358498045.db2.gz ZFWBVMQUCDGYQG-QZTJIDSGSA-N 1 3 349.906 3.131 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089384251 1360386422 /nfs/dbraw/zinc/38/64/22/1360386422.db2.gz BMZVTRNFZOMPTD-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089384251 1360386428 /nfs/dbraw/zinc/38/64/28/1360386428.db2.gz BMZVTRNFZOMPTD-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662289 1360572540 /nfs/dbraw/zinc/57/25/40/1360572540.db2.gz AXVLVYNOPDLHFW-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662289 1360572542 /nfs/dbraw/zinc/57/25/42/1360572542.db2.gz AXVLVYNOPDLHFW-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684028 1360589961 /nfs/dbraw/zinc/58/99/61/1360589961.db2.gz MSPPLXCLFQPKQT-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684028 1360589963 /nfs/dbraw/zinc/58/99/63/1360589963.db2.gz MSPPLXCLFQPKQT-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164702 1363665173 /nfs/dbraw/zinc/66/51/73/1363665173.db2.gz GQVGWZQYPPRUSM-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164702 1363665176 /nfs/dbraw/zinc/66/51/76/1363665176.db2.gz GQVGWZQYPPRUSM-GOSISDBHSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100383137 1364097446 /nfs/dbraw/zinc/09/74/46/1364097446.db2.gz NCBNUDSUCZHRCG-CTWPCTMYSA-N 1 3 337.552 3.316 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663867 1365711866 /nfs/dbraw/zinc/71/18/66/1365711866.db2.gz YJKRHVXSBNRQQZ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663867 1365711867 /nfs/dbraw/zinc/71/18/67/1365711867.db2.gz YJKRHVXSBNRQQZ-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362747 1365988328 /nfs/dbraw/zinc/98/83/28/1365988328.db2.gz HRUZKLAXBNGFFW-KZNAEPCWSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566654 1366534814 /nfs/dbraw/zinc/53/48/14/1366534814.db2.gz RHYUSTCVSIFSRO-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281789 1366643052 /nfs/dbraw/zinc/64/30/52/1366643052.db2.gz CPWQXKMMTKSTST-QRVBRYPASA-N 1 3 339.568 3.227 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001110660391 1367903097 /nfs/dbraw/zinc/90/30/97/1367903097.db2.gz CMLHJRJBFXLXMV-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001110660391 1367903098 /nfs/dbraw/zinc/90/30/98/1367903098.db2.gz CMLHJRJBFXLXMV-YSTOQKLRSA-N 1 3 345.531 3.081 20 30 EGEDHO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266243 1368219410 /nfs/dbraw/zinc/21/94/10/1368219410.db2.gz MULWSJOLNNPMHY-RBUKOAKNSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266243 1368219414 /nfs/dbraw/zinc/21/94/14/1368219414.db2.gz MULWSJOLNNPMHY-RBUKOAKNSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641716 1368654592 /nfs/dbraw/zinc/65/45/92/1368654592.db2.gz MWARZAXOUPUYFV-FQEVSTJZSA-N 1 3 349.563 3.366 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027793 1369960074 /nfs/dbraw/zinc/96/00/74/1369960074.db2.gz IIXQJFCUGFEFHL-ROUUACIJSA-N 1 3 349.563 3.458 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205493172 1370771764 /nfs/dbraw/zinc/77/17/64/1370771764.db2.gz UAZLRKFHLYDGLB-IBGZPJMESA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205562419 1370792038 /nfs/dbraw/zinc/79/20/38/1370792038.db2.gz VYMIWUPLDASFJX-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206175860 1370980961 /nfs/dbraw/zinc/98/09/61/1370980961.db2.gz DWQSRVCMHRDNFB-LJQANCHMSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001206614416 1371109224 /nfs/dbraw/zinc/10/92/24/1371109224.db2.gz DXOAJRKDRQKLAX-UHFFFAOYSA-N 1 3 343.943 3.079 20 30 EGEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001206621744 1371110523 /nfs/dbraw/zinc/11/05/23/1371110523.db2.gz FSNWLPNKZURMCG-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859043 1371521751 /nfs/dbraw/zinc/52/17/51/1371521751.db2.gz GOKISAIEOQBWHT-QZTJIDSGSA-N 1 3 335.536 3.022 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859043 1371521754 /nfs/dbraw/zinc/52/17/54/1371521754.db2.gz GOKISAIEOQBWHT-QZTJIDSGSA-N 1 3 335.536 3.022 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208049068 1371580206 /nfs/dbraw/zinc/58/02/06/1371580206.db2.gz MDVIQAXBWMZMME-QZTJIDSGSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCCCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001209441762 1372107387 /nfs/dbraw/zinc/10/73/87/1372107387.db2.gz LSMBDIRGQNNACD-UHFFFAOYSA-N 1 3 335.536 3.189 20 30 EGEDHO C=CCCCCCCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001209441762 1372107391 /nfs/dbraw/zinc/10/73/91/1372107391.db2.gz LSMBDIRGQNNACD-UHFFFAOYSA-N 1 3 335.536 3.189 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241679 1372510321 /nfs/dbraw/zinc/51/03/21/1372510321.db2.gz WJDIMWAVPRNHGO-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256805 1372513252 /nfs/dbraw/zinc/51/32/52/1372513252.db2.gz NMBQNXOIUZLCPR-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211256806 1372513324 /nfs/dbraw/zinc/51/33/24/1372513324.db2.gz NMBQNXOIUZLCPR-OALUTQOASA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476613 1377110812 /nfs/dbraw/zinc/11/08/12/1377110812.db2.gz LJGKZLNBBUBUDJ-MSOLQXFVSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135690242 1377184288 /nfs/dbraw/zinc/18/42/88/1377184288.db2.gz GJKHGXWZJBXVDP-MSOLQXFVSA-N 1 3 325.541 3.338 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001146614579 1378879018 /nfs/dbraw/zinc/87/90/18/1378879018.db2.gz YPJRQGPMEUINLV-QZTJIDSGSA-N 1 3 349.563 3.031 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165627467 1383317066 /nfs/dbraw/zinc/31/70/66/1383317066.db2.gz KCEIVUCYZGKADU-SFHVURJKSA-N 1 3 339.568 3.419 20 30 EGEDHO N#Cc1cccc(O[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387555 1383891312 /nfs/dbraw/zinc/89/13/12/1383891312.db2.gz KCUFAZKZLNOREJ-NRFANRHFSA-N 1 3 339.483 3.276 20 30 EGEDHO N#Cc1cccc(O[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387555 1383891316 /nfs/dbraw/zinc/89/13/16/1383891316.db2.gz KCUFAZKZLNOREJ-NRFANRHFSA-N 1 3 339.483 3.276 20 30 EGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001171222663 1384472501 /nfs/dbraw/zinc/47/25/01/1384472501.db2.gz ILKYXZLSEKSNGD-INIZCTEOSA-N 1 3 329.463 3.388 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175572799 1385335352 /nfs/dbraw/zinc/33/53/52/1385335352.db2.gz MGJVKDWQYNQEJL-IAGOWNOFSA-N 1 3 343.943 3.266 20 30 EGEDHO C=CCCCCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890026 1385734370 /nfs/dbraw/zinc/73/43/70/1385734370.db2.gz JVJFUWCGVCVOSR-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(CC)CC ZINC001177445248 1385959422 /nfs/dbraw/zinc/95/94/22/1385959422.db2.gz FJTCQMUSGMTNDR-UHFFFAOYSA-N 1 3 337.552 3.293 20 30 EGEDHO C=CCCC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592480 1386526921 /nfs/dbraw/zinc/52/69/21/1386526921.db2.gz CXRHRPQUHKSWEL-UHFFFAOYSA-N 1 3 325.541 3.197 20 30 EGEDHO C=CCCC[NH+]1CCC(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001753594758 1440444236 /nfs/dbraw/zinc/44/42/36/1440444236.db2.gz JZFPDICULDKEMU-UHFFFAOYSA-N 1 3 349.563 3.435 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001754567807 1440636365 /nfs/dbraw/zinc/63/63/65/1440636365.db2.gz UEDFRVPEQFMAEH-FPOVZHCZSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001754567807 1440636366 /nfs/dbraw/zinc/63/63/66/1440636366.db2.gz UEDFRVPEQFMAEH-FPOVZHCZSA-N 1 3 349.563 3.223 20 30 EGEDHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754712790 1440670610 /nfs/dbraw/zinc/67/06/10/1440670610.db2.gz NJTSODDCOUHZCK-OAQYLSRUSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001755763316 1440915410 /nfs/dbraw/zinc/91/54/10/1440915410.db2.gz DSSNWBMSMOZEJU-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO N#Cc1ccc(OCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055350 /nfs/dbraw/zinc/05/53/50/270055350.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 1 3 347.462 3.001 20 30 EGEDHO N#Cc1ccc(OCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055352 /nfs/dbraw/zinc/05/53/52/270055352.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 1 3 347.462 3.001 20 30 EGEDHO CC[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000564320735 316136117 /nfs/dbraw/zinc/13/61/17/316136117.db2.gz LTNRZISGUSWTCV-GMNCBBECSA-N 1 3 327.472 3.368 20 30 EGEDHO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCN1 ZINC000564320735 316136121 /nfs/dbraw/zinc/13/61/21/316136121.db2.gz LTNRZISGUSWTCV-GMNCBBECSA-N 1 3 327.472 3.368 20 30 EGEDHO C[N@H+](CCOc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110297 453965172 /nfs/dbraw/zinc/96/51/72/453965172.db2.gz GUWURJDVDYCUDO-NRFANRHFSA-N 1 3 349.478 3.391 20 30 EGEDHO C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110297 453965174 /nfs/dbraw/zinc/96/51/74/453965174.db2.gz GUWURJDVDYCUDO-NRFANRHFSA-N 1 3 349.478 3.391 20 30 EGEDHO CCc1cccc(NC(=[NH2+])NCc2ccc(OCCN(C)C)cc2)c1 ZINC000264137435 455192535 /nfs/dbraw/zinc/19/25/35/455192535.db2.gz VMRVBGZAIHVVRL-UHFFFAOYSA-N 1 3 340.471 3.116 20 30 EGEDHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000342271513 457203179 /nfs/dbraw/zinc/20/31/79/457203179.db2.gz CUTOYOMOEVKREA-UHFFFAOYSA-N 1 3 328.504 3.248 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000357813253 457699747 /nfs/dbraw/zinc/69/97/47/457699747.db2.gz AAXGQZUXCKFVNC-UHFFFAOYSA-N 1 3 341.499 3.051 20 30 EGEDHO C=CCN1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000357813253 457699751 /nfs/dbraw/zinc/69/97/51/457699751.db2.gz AAXGQZUXCKFVNC-UHFFFAOYSA-N 1 3 341.499 3.051 20 30 EGEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928224 458226006 /nfs/dbraw/zinc/22/60/06/458226006.db2.gz OVDURZDKTIMNEJ-RTBURBONSA-N 1 3 327.472 3.140 20 30 EGEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000435928224 458226014 /nfs/dbraw/zinc/22/60/14/458226014.db2.gz OVDURZDKTIMNEJ-RTBURBONSA-N 1 3 327.472 3.140 20 30 EGEDHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000423580907 458459010 /nfs/dbraw/zinc/45/90/10/458459010.db2.gz YMOMPEOZFXIGFF-GOSISDBHSA-N 1 3 348.494 3.202 20 30 EGEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000377885203 458562448 /nfs/dbraw/zinc/56/24/48/458562448.db2.gz RQWJAOVTTOHTAB-VQIMIIECSA-N 1 3 327.472 3.141 20 30 EGEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000377885203 458562450 /nfs/dbraw/zinc/56/24/50/458562450.db2.gz RQWJAOVTTOHTAB-VQIMIIECSA-N 1 3 327.472 3.141 20 30 EGEDHO C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424141477 458569277 /nfs/dbraw/zinc/56/92/77/458569277.db2.gz UFOZNGRBHBSGSQ-SFHVURJKSA-N 1 3 342.487 3.411 20 30 EGEDHO C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424141477 458569283 /nfs/dbraw/zinc/56/92/83/458569283.db2.gz UFOZNGRBHBSGSQ-SFHVURJKSA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@H+](C)Cc1ccccc1 ZINC000602511763 459976095 /nfs/dbraw/zinc/97/60/95/459976095.db2.gz KMSICBAYLJSHDI-SFHVURJKSA-N 1 3 329.488 3.197 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000602511763 459976101 /nfs/dbraw/zinc/97/61/01/459976101.db2.gz KMSICBAYLJSHDI-SFHVURJKSA-N 1 3 329.488 3.197 20 30 EGEDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545873 459992396 /nfs/dbraw/zinc/99/23/96/459992396.db2.gz RBVYKSQZSDPTNN-KRWDZBQOSA-N 1 3 329.488 3.327 20 30 EGEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545873 459992398 /nfs/dbraw/zinc/99/23/98/459992398.db2.gz RBVYKSQZSDPTNN-KRWDZBQOSA-N 1 3 329.488 3.327 20 30 EGEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754710 460432609 /nfs/dbraw/zinc/43/26/09/460432609.db2.gz ISSKOGGCSAZNGG-DNVCBOLYSA-N 1 3 349.906 3.438 20 30 EGEDHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815547 460983548 /nfs/dbraw/zinc/98/35/48/460983548.db2.gz WVWSFYBHJBYPMZ-JXFKEZNVSA-N 1 3 327.472 3.026 20 30 EGEDHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815547 460983550 /nfs/dbraw/zinc/98/35/50/460983550.db2.gz WVWSFYBHJBYPMZ-JXFKEZNVSA-N 1 3 327.472 3.026 20 30 EGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000657969050 462332387 /nfs/dbraw/zinc/33/23/87/462332387.db2.gz IMKPJTOXKPYGSJ-QMMLZNLJSA-N 1 3 328.500 3.478 20 30 EGEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303873918 1296863513 /nfs/dbraw/zinc/86/35/13/1296863513.db2.gz GZKFYXGKUCHIJK-HNNXBMFYSA-N 1 3 348.491 3.085 20 30 EGEDHO CC(C)(C)NC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304755316 1296941587 /nfs/dbraw/zinc/94/15/87/1296941587.db2.gz MONGBTNTCFEIDD-UHFFFAOYSA-N 1 3 336.911 3.255 20 30 EGEDHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000902889344 1317627708 /nfs/dbraw/zinc/62/77/08/1317627708.db2.gz HTTNKMGJTUCYSQ-IBGZPJMESA-N 1 3 338.455 3.135 20 30 EGEDHO C#CCOc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850361924 1322234774 /nfs/dbraw/zinc/23/47/74/1322234774.db2.gz GJUCQKKRLZYPHX-UHFFFAOYSA-N 1 3 349.478 3.095 20 30 EGEDHO C[C@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162838 1327900590 /nfs/dbraw/zinc/90/05/90/1327900590.db2.gz BACRWKSOQQQEOH-FXAWDEMLSA-N 1 3 349.482 3.008 20 30 EGEDHO C[C@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162838 1327900606 /nfs/dbraw/zinc/90/06/06/1327900606.db2.gz BACRWKSOQQQEOH-FXAWDEMLSA-N 1 3 349.482 3.008 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829294 1333701142 /nfs/dbraw/zinc/70/11/42/1333701142.db2.gz JEBWMZOFICGJTD-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829294 1333701144 /nfs/dbraw/zinc/70/11/44/1333701144.db2.gz JEBWMZOFICGJTD-RBUKOAKNSA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829813 1333701934 /nfs/dbraw/zinc/70/19/34/1333701934.db2.gz WXTLRDBEPUEIMX-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829813 1333701937 /nfs/dbraw/zinc/70/19/37/1333701937.db2.gz WXTLRDBEPUEIMX-OALUTQOASA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681416 1336008845 /nfs/dbraw/zinc/00/88/45/1336008845.db2.gz JJOGTIMIQWGGNJ-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681416 1336008846 /nfs/dbraw/zinc/00/88/46/1336008846.db2.gz JJOGTIMIQWGGNJ-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001008273771 1336811523 /nfs/dbraw/zinc/81/15/23/1336811523.db2.gz AHFLJEMJXHULDM-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001008273771 1336811524 /nfs/dbraw/zinc/81/15/24/1336811524.db2.gz AHFLJEMJXHULDM-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009165184 1336979724 /nfs/dbraw/zinc/97/97/24/1336979724.db2.gz BWGPMEWEYGNWND-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009165184 1336979726 /nfs/dbraw/zinc/97/97/26/1336979726.db2.gz BWGPMEWEYGNWND-MOPGFXCFSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034290209 1342376106 /nfs/dbraw/zinc/37/61/06/1342376106.db2.gz YSCWJMZDRLGQTA-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034290209 1342376112 /nfs/dbraw/zinc/37/61/12/1342376112.db2.gz YSCWJMZDRLGQTA-RTBURBONSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039448117 1345073062 /nfs/dbraw/zinc/07/30/62/1345073062.db2.gz WVYCLQQTKGAFFP-ZCNNSNEGSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039448117 1345073064 /nfs/dbraw/zinc/07/30/64/1345073064.db2.gz WVYCLQQTKGAFFP-ZCNNSNEGSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526539 1347892793 /nfs/dbraw/zinc/89/27/93/1347892793.db2.gz VQQDXNAVRNXZNO-XUVXKRRUSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526539 1347892794 /nfs/dbraw/zinc/89/27/94/1347892794.db2.gz VQQDXNAVRNXZNO-XUVXKRRUSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906797 1348105016 /nfs/dbraw/zinc/10/50/16/1348105016.db2.gz AHZFOEPNYMEYFK-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906797 1348105018 /nfs/dbraw/zinc/10/50/18/1348105018.db2.gz AHZFOEPNYMEYFK-UXHICEINSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001050686788 1348327015 /nfs/dbraw/zinc/32/70/15/1348327015.db2.gz AXLPDPFIIRGTRI-IBGZPJMESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699530 1359599075 /nfs/dbraw/zinc/59/90/75/1359599075.db2.gz ZYDZAXRIJCMJDX-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699530 1359599078 /nfs/dbraw/zinc/59/90/78/1359599078.db2.gz ZYDZAXRIJCMJDX-ZCNNSNEGSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184413375 1387454214 /nfs/dbraw/zinc/45/42/14/1387454214.db2.gz YPCHKMCJJZDRTR-RBUKOAKNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493562 1360470623 /nfs/dbraw/zinc/47/06/23/1360470623.db2.gz XUNAKNOKKXWKCB-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493562 1360470625 /nfs/dbraw/zinc/47/06/25/1360470625.db2.gz XUNAKNOKKXWKCB-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511281 1360482556 /nfs/dbraw/zinc/48/25/56/1360482556.db2.gz PNFDMMRDLIQGGI-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511281 1360482559 /nfs/dbraw/zinc/48/25/59/1360482559.db2.gz PNFDMMRDLIQGGI-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001098827356 1363484152 /nfs/dbraw/zinc/48/41/52/1363484152.db2.gz UYHOAFGSMGCCDS-ICSRJNTNSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153005 1363658746 /nfs/dbraw/zinc/65/87/46/1363658746.db2.gz CUVRIBOPSWZKDN-KRWDZBQOSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099252674 1363714933 /nfs/dbraw/zinc/71/49/33/1363714933.db2.gz YZGNSAGZNKXQGE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001099252674 1363714936 /nfs/dbraw/zinc/71/49/36/1363714936.db2.gz YZGNSAGZNKXQGE-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100383131 1364097486 /nfs/dbraw/zinc/09/74/86/1364097486.db2.gz MXLACIXNFUTLHL-CTWPCTMYSA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001101551367 1364613930 /nfs/dbraw/zinc/61/39/30/1364613930.db2.gz HILAKPGMMHVOQV-UHFFFAOYSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974948 1364795356 /nfs/dbraw/zinc/79/53/56/1364795356.db2.gz YIRZMUSZQOKQCH-CEXWTWQISA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974948 1364795360 /nfs/dbraw/zinc/79/53/60/1364795360.db2.gz YIRZMUSZQOKQCH-CEXWTWQISA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084065 1365371602 /nfs/dbraw/zinc/37/16/02/1365371602.db2.gz WUQXMCUQZWGWEW-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084065 1365371607 /nfs/dbraw/zinc/37/16/07/1365371607.db2.gz WUQXMCUQZWGWEW-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185750681 1387789845 /nfs/dbraw/zinc/78/98/45/1387789845.db2.gz LUGZHUZMYOITKZ-MOPGFXCFSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579692 1366543108 /nfs/dbraw/zinc/54/31/08/1366543108.db2.gz SWJDYUHYOZFRNK-SFHVURJKSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246571 1366632657 /nfs/dbraw/zinc/63/26/57/1366632657.db2.gz OVEMRUAPASCYGF-QZTJIDSGSA-N 1 3 337.552 3.125 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633779 1366761465 /nfs/dbraw/zinc/76/14/65/1366761465.db2.gz UWMPZPFCHWEELB-GUDVDZBRSA-N 1 3 337.552 3.003 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495097 1366994034 /nfs/dbraw/zinc/99/40/34/1366994034.db2.gz JOCPANGIBATDLR-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495097 1366994040 /nfs/dbraw/zinc/99/40/40/1366994040.db2.gz JOCPANGIBATDLR-WIYYLYMNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227333 1368212579 /nfs/dbraw/zinc/21/25/79/1368212579.db2.gz KAPSLGZWTHJHEX-PXNSSMCTSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194227333 1368212584 /nfs/dbraw/zinc/21/25/84/1368212584.db2.gz KAPSLGZWTHJHEX-PXNSSMCTSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266770 1368219568 /nfs/dbraw/zinc/21/95/68/1368219568.db2.gz ZYAXHTBLCVDVLD-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266770 1368219573 /nfs/dbraw/zinc/21/95/73/1368219573.db2.gz ZYAXHTBLCVDVLD-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353350 1368784759 /nfs/dbraw/zinc/78/47/59/1368784759.db2.gz CWRSTJVNQZDVMT-ZVDOUQERSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201814286 1369627888 /nfs/dbraw/zinc/62/78/88/1369627888.db2.gz NHMCUJAEZMYVPC-UHFFFAOYSA-N 1 3 347.547 3.171 20 30 EGEDHO CCCCCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201814286 1369627890 /nfs/dbraw/zinc/62/78/90/1369627890.db2.gz NHMCUJAEZMYVPC-UHFFFAOYSA-N 1 3 347.547 3.171 20 30 EGEDHO C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030212 1369960462 /nfs/dbraw/zinc/96/04/62/1369960462.db2.gz XJKAMEMIFBXNLE-ROUUACIJSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2CCCC)CCCCC1 ZINC001119990429 1371445320 /nfs/dbraw/zinc/44/53/20/1371445320.db2.gz YTCWIWIQWHYDEW-GOSISDBHSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCCC1 ZINC001120208394 1371505453 /nfs/dbraw/zinc/50/54/53/1371505453.db2.gz YJFLKORBJFLBQJ-LJQANCHMSA-N 1 3 349.563 3.482 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933338 1371952057 /nfs/dbraw/zinc/95/20/57/1371952057.db2.gz DOVBNVCJLXGFJO-MJGOQNOKSA-N 1 3 342.508 3.173 20 30 EGEDHO O=C1C=C2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCC2S1 ZINC001208933338 1371952059 /nfs/dbraw/zinc/95/20/59/1371952059.db2.gz DOVBNVCJLXGFJO-MJGOQNOKSA-N 1 3 342.508 3.173 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211256971 1372513567 /nfs/dbraw/zinc/51/35/67/1372513567.db2.gz NMBQNXOIUZLCPR-RTBURBONSA-N 1 3 335.536 3.188 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336744 1372534062 /nfs/dbraw/zinc/53/40/62/1372534062.db2.gz CVMRMTXQNVLPDZ-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336744 1372534068 /nfs/dbraw/zinc/53/40/68/1372534068.db2.gz CVMRMTXQNVLPDZ-FUHIMQAGSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132153640 1375173123 /nfs/dbraw/zinc/17/31/23/1375173123.db2.gz RTTLUEIZHBSKIO-MSOLQXFVSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132153640 1375173127 /nfs/dbraw/zinc/17/31/27/1375173127.db2.gz RTTLUEIZHBSKIO-MSOLQXFVSA-N 1 3 337.552 3.432 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226267582 1375230115 /nfs/dbraw/zinc/23/01/15/1375230115.db2.gz MVKKVYYJVMRARW-QZTJIDSGSA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185853 1375829212 /nfs/dbraw/zinc/82/92/12/1375829212.db2.gz JZNHTQSBPWBXFD-RBUKOAKNSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001230591843 1376090719 /nfs/dbraw/zinc/09/07/19/1376090719.db2.gz LKIBSRINCADCBG-VQTJNVASSA-N 1 3 349.563 3.242 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001230591843 1376090725 /nfs/dbraw/zinc/09/07/25/1376090725.db2.gz LKIBSRINCADCBG-VQTJNVASSA-N 1 3 349.563 3.242 20 30 EGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135690244 1377184342 /nfs/dbraw/zinc/18/43/42/1377184342.db2.gz GJKHGXWZJBXVDP-ROUUACIJSA-N 1 3 325.541 3.338 20 30 EGEDHO CCN1CCN(c2ccc(C[N@H+](C)Cc3cccc(C#N)c3)cc2)CC1 ZINC001140309328 1378044422 /nfs/dbraw/zinc/04/44/22/1378044422.db2.gz BLBSWYHUBHVWSY-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO CCN1CCN(c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2)CC1 ZINC001140309328 1378044423 /nfs/dbraw/zinc/04/44/23/1378044423.db2.gz BLBSWYHUBHVWSY-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCCC)CC1 ZINC001146612589 1378878173 /nfs/dbraw/zinc/87/81/73/1378878173.db2.gz QHWFQMWJMRNJNL-RTBURBONSA-N 1 3 349.563 3.175 20 30 EGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306606 1380555045 /nfs/dbraw/zinc/55/50/45/1380555045.db2.gz QZPAWBBHCSEXBU-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306606 1380555046 /nfs/dbraw/zinc/55/50/46/1380555046.db2.gz QZPAWBBHCSEXBU-RTBURBONSA-N 1 3 337.552 3.434 20 30 EGEDHO CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534194 1381285215 /nfs/dbraw/zinc/28/52/15/1381285215.db2.gz QUCMUHRRLNXNPC-GOSISDBHSA-N 1 3 334.508 3.236 20 30 EGEDHO CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534194 1381285219 /nfs/dbraw/zinc/28/52/19/1381285219.db2.gz QUCMUHRRLNXNPC-GOSISDBHSA-N 1 3 334.508 3.236 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335412 1383875817 /nfs/dbraw/zinc/87/58/17/1383875817.db2.gz IACISLCKOLQXKL-QZTJIDSGSA-N 1 3 335.536 3.092 20 30 EGEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175572801 1385335678 /nfs/dbraw/zinc/33/56/78/1385335678.db2.gz MGJVKDWQYNQEJL-SJORKVTESA-N 1 3 343.943 3.266 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350920 1385560105 /nfs/dbraw/zinc/56/01/05/1385560105.db2.gz NBUZRUFUISHMOM-MRXNPFEDSA-N 1 3 334.508 3.272 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177339449 1385919808 /nfs/dbraw/zinc/91/98/08/1385919808.db2.gz GIDDFGKQEHDFLX-HXUWFJFHSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)N(C)C ZINC001177415588 1385948941 /nfs/dbraw/zinc/94/89/41/1385948941.db2.gz DVHPMPJXNHPFPJ-IBGZPJMESA-N 1 3 337.552 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179745604 1386569978 /nfs/dbraw/zinc/56/99/78/1386569978.db2.gz DLDGYKYOSABCHF-IBGZPJMESA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(Cl)CNCC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001715102835 1419844125 /nfs/dbraw/zinc/84/41/25/1419844125.db2.gz IZFYQWSGRWKXFB-UHFFFAOYSA-N 1 3 349.906 3.133 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001754567806 1440636320 /nfs/dbraw/zinc/63/63/20/1440636320.db2.gz UEDFRVPEQFMAEH-CTNGQTDRSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001754567806 1440636321 /nfs/dbraw/zinc/63/63/21/1440636321.db2.gz UEDFRVPEQFMAEH-CTNGQTDRSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001754567809 1440636460 /nfs/dbraw/zinc/63/64/60/1440636460.db2.gz UEDFRVPEQFMAEH-TZIWHRDSSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001754567809 1440636461 /nfs/dbraw/zinc/63/64/61/1440636461.db2.gz UEDFRVPEQFMAEH-TZIWHRDSSA-N 1 3 349.563 3.223 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001754951727 1440715197 /nfs/dbraw/zinc/71/51/97/1440715197.db2.gz DFMZRSWHZPBVLC-IYARVYRRSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139296 1440759551 /nfs/dbraw/zinc/75/95/51/1440759551.db2.gz VKCKNBMJHWIFBK-SJORKVTESA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001755139296 1440759552 /nfs/dbraw/zinc/75/95/52/1440759552.db2.gz VKCKNBMJHWIFBK-SJORKVTESA-N 1 3 335.536 3.042 20 30 EGEDHO COc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000192919913 153267141 /nfs/dbraw/zinc/26/71/41/153267141.db2.gz HDOXWFZYVMKUIR-LJQANCHMSA-N 1 3 335.451 3.179 20 30 EGEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544711 266155318 /nfs/dbraw/zinc/15/53/18/266155318.db2.gz YYCYGVBJSHESLK-ZFWWWQNUSA-N 1 3 334.489 3.402 20 30 EGEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544711 266155320 /nfs/dbraw/zinc/15/53/20/266155320.db2.gz YYCYGVBJSHESLK-ZFWWWQNUSA-N 1 3 334.489 3.402 20 30 EGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271974214 267181531 /nfs/dbraw/zinc/18/15/31/267181531.db2.gz VFXIFHMFAWBOOJ-XHSDSOJGSA-N 1 3 333.451 3.237 20 30 EGEDHO Cc1ccc(NC(=[NH2+])NCc2ccccc2OCCN(C)C)cc1C ZINC000264067086 455189565 /nfs/dbraw/zinc/18/95/65/455189565.db2.gz BPRRZQXNAPILLC-UHFFFAOYSA-N 1 3 340.471 3.171 20 30 EGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271974209 455809881 /nfs/dbraw/zinc/80/98/81/455809881.db2.gz VFXIFHMFAWBOOJ-OWCLPIDISA-N 1 3 333.451 3.237 20 30 EGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292117416 456859503 /nfs/dbraw/zinc/85/95/03/456859503.db2.gz KPTSIXSXVJMUHG-INIZCTEOSA-N 1 3 329.488 3.080 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000357126760 457336492 /nfs/dbraw/zinc/33/64/92/457336492.db2.gz SVRGNUMOGMAEMB-LJQANCHMSA-N 1 3 327.472 3.141 20 30 EGEDHO C[NH+](C)CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000433350364 457818242 /nfs/dbraw/zinc/81/82/42/457818242.db2.gz BSSKEDBQZLWXSC-ZWKOTPCHSA-N 1 3 329.488 3.242 20 30 EGEDHO CCN1CCN(c2ccccc2C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000441332274 458920615 /nfs/dbraw/zinc/92/06/15/458920615.db2.gz QOVOHHUOKLQGGU-UHFFFAOYSA-N 1 3 340.515 3.248 20 30 EGEDHO N#CCCCC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000594441923 460220939 /nfs/dbraw/zinc/22/09/39/460220939.db2.gz YOHKLZYPPPRWEI-SFHVURJKSA-N 1 3 328.460 3.022 20 30 EGEDHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807462 460468128 /nfs/dbraw/zinc/46/81/28/460468128.db2.gz MFJULNQREALRON-HTAPYJJXSA-N 1 3 349.478 3.333 20 30 EGEDHO CCCN(CC)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160715959 1294275836 /nfs/dbraw/zinc/27/58/36/1294275836.db2.gz FJDKEEKLUBSPQJ-UHFFFAOYSA-N 1 3 332.370 3.044 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164772207 1294352664 /nfs/dbraw/zinc/35/26/64/1294352664.db2.gz JQIOASXFAZAKQR-YLJYHZDGSA-N 1 3 344.499 3.436 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164772207 1294352669 /nfs/dbraw/zinc/35/26/69/1294352669.db2.gz JQIOASXFAZAKQR-YLJYHZDGSA-N 1 3 344.499 3.436 20 30 EGEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303723929 1296846055 /nfs/dbraw/zinc/84/60/55/1296846055.db2.gz ZJMVVDGEZDUPPJ-AAEUAGOBSA-N 1 3 343.302 3.443 20 30 EGEDHO C=C(C[NH+](C)C)C(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000764474438 1302068264 /nfs/dbraw/zinc/06/82/64/1302068264.db2.gz ZTVHEGRYMRLAPA-FQEVSTJZSA-N 1 3 343.515 3.007 20 30 EGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471267 1303120014 /nfs/dbraw/zinc/12/00/14/1303120014.db2.gz RQBBJLGVBINOTD-FXAWDEMLSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471267 1303120016 /nfs/dbraw/zinc/12/00/16/1303120016.db2.gz RQBBJLGVBINOTD-FXAWDEMLSA-N 1 3 328.504 3.341 20 30 EGEDHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000902808274 1317619638 /nfs/dbraw/zinc/61/96/38/1317619638.db2.gz HNGGKPFSUOUYFH-XLIONFOSSA-N 1 3 327.472 3.100 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377061 1319533320 /nfs/dbraw/zinc/53/33/20/1319533320.db2.gz WQPCDIHTEUTDHK-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377061 1319533329 /nfs/dbraw/zinc/53/33/29/1319533329.db2.gz WQPCDIHTEUTDHK-PMACEKPBSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231147 1324017279 /nfs/dbraw/zinc/01/72/79/1324017279.db2.gz GNYVEIFETYGJHM-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001025231147 1324017286 /nfs/dbraw/zinc/01/72/86/1324017286.db2.gz GNYVEIFETYGJHM-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001026571658 1324904730 /nfs/dbraw/zinc/90/47/30/1324904730.db2.gz GOPCDJLMSIZHAU-OFLPRAFFSA-N 1 3 341.927 3.019 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947309564 1333084125 /nfs/dbraw/zinc/08/41/25/1333084125.db2.gz FMAMCBHKJRYHRM-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC000947309564 1333084127 /nfs/dbraw/zinc/08/41/27/1333084127.db2.gz FMAMCBHKJRYHRM-ZWKOTPCHSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002615 1336115363 /nfs/dbraw/zinc/11/53/63/1336115363.db2.gz YQNPITSHMAOLAJ-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002615 1336115365 /nfs/dbraw/zinc/11/53/65/1336115365.db2.gz YQNPITSHMAOLAJ-UXHICEINSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153705 1336164713 /nfs/dbraw/zinc/16/47/13/1336164713.db2.gz NJQMDVTUXAEKPC-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153705 1336164715 /nfs/dbraw/zinc/16/47/15/1336164715.db2.gz NJQMDVTUXAEKPC-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028093048 1340421144 /nfs/dbraw/zinc/42/11/44/1340421144.db2.gz GMAOLQKOUKTGCO-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028093048 1340421147 /nfs/dbraw/zinc/42/11/47/1340421147.db2.gz GMAOLQKOUKTGCO-WOJBJXKFSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034437565 1342500052 /nfs/dbraw/zinc/50/00/52/1342500052.db2.gz HJOKZYBVJPSMLJ-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034437565 1342500055 /nfs/dbraw/zinc/50/00/55/1342500055.db2.gz HJOKZYBVJPSMLJ-RBUKOAKNSA-N 1 3 335.536 3.188 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837109 1343220477 /nfs/dbraw/zinc/22/04/77/1343220477.db2.gz HAUVUBFAJPQKKS-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837109 1343220479 /nfs/dbraw/zinc/22/04/79/1343220479.db2.gz HAUVUBFAJPQKKS-LJQANCHMSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040431415 1345494658 /nfs/dbraw/zinc/49/46/58/1345494658.db2.gz IBBSFSJCDVEOLY-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040431415 1345494660 /nfs/dbraw/zinc/49/46/60/1345494660.db2.gz IBBSFSJCDVEOLY-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918812 1348112232 /nfs/dbraw/zinc/11/22/32/1348112232.db2.gz MRGKCGNIOGPELK-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049918812 1348112235 /nfs/dbraw/zinc/11/22/35/1348112235.db2.gz MRGKCGNIOGPELK-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921410 1348114060 /nfs/dbraw/zinc/11/40/60/1348114060.db2.gz WGMZXHFJFLBHBS-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049921410 1348114062 /nfs/dbraw/zinc/11/40/62/1348114062.db2.gz WGMZXHFJFLBHBS-VQTJNVASSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)cc2C1 ZINC001054267124 1349264123 /nfs/dbraw/zinc/26/41/23/1349264123.db2.gz ARIBYSSYSIGXHN-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267124 1349264125 /nfs/dbraw/zinc/26/41/25/1349264125.db2.gz ARIBYSSYSIGXHN-FQEVSTJZSA-N 1 3 341.499 3.069 20 30 EGEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001183510262 1387315457 /nfs/dbraw/zinc/31/54/57/1387315457.db2.gz RJADXYUYKGOERQ-DYESRHJHSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638905 1360552340 /nfs/dbraw/zinc/55/23/40/1360552340.db2.gz IYURUBUGJOBEDE-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638905 1360552343 /nfs/dbraw/zinc/55/23/43/1360552343.db2.gz IYURUBUGJOBEDE-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184557440 1387491962 /nfs/dbraw/zinc/49/19/62/1387491962.db2.gz XOOGYTLIGZDUEE-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185546393 1387744201 /nfs/dbraw/zinc/74/42/01/1387744201.db2.gz BKYKWKNOHXPGIX-MOPGFXCFSA-N 1 3 339.568 3.373 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434321 1365557680 /nfs/dbraw/zinc/55/76/80/1365557680.db2.gz YXDDVGKFVYCPCU-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434321 1365557684 /nfs/dbraw/zinc/55/76/84/1365557684.db2.gz YXDDVGKFVYCPCU-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753370 1365764837 /nfs/dbraw/zinc/76/48/37/1365764837.db2.gz FJNOTINMEAAFGW-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753370 1365764842 /nfs/dbraw/zinc/76/48/42/1365764842.db2.gz FJNOTINMEAAFGW-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185760486 1387791917 /nfs/dbraw/zinc/79/19/17/1387791917.db2.gz AHXKXLBUQLFREN-RTBURBONSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939368 1366232007 /nfs/dbraw/zinc/23/20/07/1366232007.db2.gz NHDCXBXEACMEQO-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565991 1366534170 /nfs/dbraw/zinc/53/41/70/1366534170.db2.gz CZCAKEVWWVTQLG-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134276 1366613820 /nfs/dbraw/zinc/61/38/20/1366613820.db2.gz XXEYRDFPVUMZSS-CEXWTWQISA-N 1 3 349.563 3.290 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110158092 1367530911 /nfs/dbraw/zinc/53/09/11/1367530911.db2.gz HDNQPRHCUKYGGA-FYQPLNBISA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110158092 1367530916 /nfs/dbraw/zinc/53/09/16/1367530916.db2.gz HDNQPRHCUKYGGA-FYQPLNBISA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780458 1367592501 /nfs/dbraw/zinc/59/25/01/1367592501.db2.gz BPYSXTZRRRHECJ-OTWHNJEPSA-N 1 3 335.536 3.044 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802569 1367604741 /nfs/dbraw/zinc/60/47/41/1367604741.db2.gz GBDBDRTYVZJGSE-OTWHNJEPSA-N 1 3 337.552 3.268 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905297 1367901178 /nfs/dbraw/zinc/90/11/78/1367901178.db2.gz DOFMUGXFPLCILA-MOPGFXCFSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001192905297 1367901182 /nfs/dbraw/zinc/90/11/82/1367901182.db2.gz DOFMUGXFPLCILA-MOPGFXCFSA-N 1 3 337.552 3.386 20 30 EGEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246002 1368216715 /nfs/dbraw/zinc/21/67/15/1368216715.db2.gz IROFOXOYIHRRHN-HKUYNNGSSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246002 1368216717 /nfs/dbraw/zinc/21/67/17/1368216717.db2.gz IROFOXOYIHRRHN-HKUYNNGSSA-N 1 3 343.515 3.249 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467362 1368311491 /nfs/dbraw/zinc/31/14/91/1368311491.db2.gz GULQVZGEMGJLHY-YSTOQKLRSA-N 1 3 347.547 3.185 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467362 1368311496 /nfs/dbraw/zinc/31/14/96/1368311496.db2.gz GULQVZGEMGJLHY-YSTOQKLRSA-N 1 3 347.547 3.185 20 30 EGEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 ZINC001112547502 1368922943 /nfs/dbraw/zinc/92/29/43/1368922943.db2.gz VWVXJAIBVQUSKX-FPOVZHCZSA-N 1 3 349.563 3.293 20 30 EGEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156642 1369233025 /nfs/dbraw/zinc/23/30/25/1369233025.db2.gz PQPNGOGKEZEGFL-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156642 1369233027 /nfs/dbraw/zinc/23/30/27/1369233027.db2.gz PQPNGOGKEZEGFL-SFHVURJKSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@H](C)N1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528975 1369479823 /nfs/dbraw/zinc/47/98/23/1369479823.db2.gz YPSHUKHSGOPUTM-IBGZPJMESA-N 1 3 337.552 3.388 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114920866 1370150482 /nfs/dbraw/zinc/15/04/82/1370150482.db2.gz BYCIDRVICCROTO-VNTMZGSJSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114920866 1370150483 /nfs/dbraw/zinc/15/04/83/1370150483.db2.gz BYCIDRVICCROTO-VNTMZGSJSA-N 1 3 349.563 3.268 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469427 1370764818 /nfs/dbraw/zinc/76/48/18/1370764818.db2.gz CZQPQUWZGUSYLU-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(C#N)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206024879 1370942091 /nfs/dbraw/zinc/94/20/91/1370942091.db2.gz LOGDQSIILOYGQZ-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C#N)c(Br)c2)CC1 ZINC001206327864 1371024891 /nfs/dbraw/zinc/02/48/91/1371024891.db2.gz ZGGLXDNPDZAOMF-INIZCTEOSA-N 1 3 336.277 3.272 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001207343424 1371365639 /nfs/dbraw/zinc/36/56/39/1371365639.db2.gz IQTGNJFWMJGWGY-GUDVDZBRSA-N 1 3 337.552 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001207343424 1371365644 /nfs/dbraw/zinc/36/56/44/1371365644.db2.gz IQTGNJFWMJGWGY-GUDVDZBRSA-N 1 3 337.552 3.268 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208114611 1371599994 /nfs/dbraw/zinc/59/99/94/1371599994.db2.gz QJVIYMOYADDWLO-RLLQIKCJSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208114611 1371599997 /nfs/dbraw/zinc/59/99/97/1371599997.db2.gz QJVIYMOYADDWLO-RLLQIKCJSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208448339 1371769920 /nfs/dbraw/zinc/76/99/20/1371769920.db2.gz XXIXFRFNEJOZIL-QGZVFWFLSA-N 1 3 325.541 3.268 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001121778990 1372078817 /nfs/dbraw/zinc/07/88/17/1372078817.db2.gz HQPLRCWPVLKRLG-KZYAKZRFSA-N 1 3 347.547 3.090 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791084 1372081829 /nfs/dbraw/zinc/08/18/29/1372081829.db2.gz FBWGTEURMFVCOY-KZYAKZRFSA-N 1 3 349.563 3.336 20 30 EGEDHO C=CCN1C(=O)CC[C@]12CCCN(CCC[NH+]1CCCCC1)[C@@H]2CC ZINC001209451693 1372109763 /nfs/dbraw/zinc/10/97/63/1372109763.db2.gz NZIQGMGKSGJNLR-CTNGQTDRSA-N 1 3 347.547 3.284 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611158 1373089342 /nfs/dbraw/zinc/08/93/42/1373089342.db2.gz RLIXBUPJSAJRSU-QRVBRYPASA-N 1 3 337.552 3.266 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206236 1375209385 /nfs/dbraw/zinc/20/93/85/1375209385.db2.gz GSMKUDFYVKLQHV-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206236 1375209389 /nfs/dbraw/zinc/20/93/89/1375209389.db2.gz GSMKUDFYVKLQHV-ROUUACIJSA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228444504 1375573647 /nfs/dbraw/zinc/57/36/47/1375573647.db2.gz AVMCQWSZNYFUOW-GUDVDZBRSA-N 1 3 337.552 3.336 20 30 EGEDHO CCCCCCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001228568778 1375599290 /nfs/dbraw/zinc/59/92/90/1375599290.db2.gz AFVPIOAWYMRYAK-UHFFFAOYSA-N 1 3 337.552 3.412 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133177010 1375825331 /nfs/dbraw/zinc/82/53/31/1375825331.db2.gz CBJKGWRFJOMMKF-MOPGFXCFSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334041 1375998863 /nfs/dbraw/zinc/99/88/63/1375998863.db2.gz DOXVEPBLJGLMED-HDICACEKSA-N 1 3 335.536 3.186 20 30 EGEDHO CCN1CCN(c2ccc(C[N@H+](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001140305215 1378042885 /nfs/dbraw/zinc/04/28/85/1378042885.db2.gz QNJXKXFBKQRKDI-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO CCN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001140305215 1378042886 /nfs/dbraw/zinc/04/28/86/1378042886.db2.gz QNJXKXFBKQRKDI-UHFFFAOYSA-N 1 3 348.494 3.332 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473648 1381256792 /nfs/dbraw/zinc/25/67/92/1381256792.db2.gz OPKACGONRUOCAA-VQTJNVASSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473648 1381256794 /nfs/dbraw/zinc/25/67/94/1381256794.db2.gz OPKACGONRUOCAA-VQTJNVASSA-N 1 3 349.563 3.388 20 30 EGEDHO N#Cc1c2c(sc1N=C1CCC([NH+]3CCCC3)CC1)CNCC2 ZINC001159159307 1381680852 /nfs/dbraw/zinc/68/08/52/1381680852.db2.gz GEQCMYQXMALFRN-CQSZACIVSA-N 1 3 328.485 3.210 20 30 EGEDHO CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627931 1381852785 /nfs/dbraw/zinc/85/27/85/1381852785.db2.gz CNVDNVUPCAJVLN-LJQANCHMSA-N 1 3 335.536 3.189 20 30 EGEDHO CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627931 1381852787 /nfs/dbraw/zinc/85/27/87/1381852787.db2.gz CNVDNVUPCAJVLN-LJQANCHMSA-N 1 3 335.536 3.189 20 30 EGEDHO CN(C)C1(CNc2ccc(-c3ccc(C#N)o3)cc2)CC[NH+](C)CC1 ZINC001164212767 1383166787 /nfs/dbraw/zinc/16/67/87/1383166787.db2.gz BTHYXQYQWKETGJ-UHFFFAOYSA-N 1 3 338.455 3.256 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248349 1384478077 /nfs/dbraw/zinc/47/80/77/1384478077.db2.gz SZUIADZIGATEBQ-HKUYNNGSSA-N 1 3 337.552 3.338 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171585663 1384572609 /nfs/dbraw/zinc/57/26/09/1384572609.db2.gz ADFATMSXYDTUPD-SJORKVTESA-N 1 3 325.541 3.336 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262174 1385232615 /nfs/dbraw/zinc/23/26/15/1385232615.db2.gz COZVZMLJNWFCLV-OALUTQOASA-N 1 3 337.552 3.339 20 30 EGEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001182917593 1387246221 /nfs/dbraw/zinc/24/62/21/1387246221.db2.gz RQUMTWGLRYPGOV-UYAOXDASSA-N 1 3 337.552 3.149 20 30 EGEDHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001753794628 1440489475 /nfs/dbraw/zinc/48/94/75/1440489475.db2.gz PPWZVIVJHCLWFX-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)c1ccc2ccccc2c1 ZINC001754644606 1440649792 /nfs/dbraw/zinc/64/97/92/1440649792.db2.gz VFGUUDZOKDFHER-HXUWFJFHSA-N 1 3 339.483 3.113 20 30 EGEDHO C=C(C)CC[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001755870216 1440938925 /nfs/dbraw/zinc/93/89/25/1440938925.db2.gz YUMDZGPNEBDALF-UHFFFAOYSA-N 1 3 349.563 3.291 20 30 EGEDHO N#Cc1cccc(OCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284539 /nfs/dbraw/zinc/28/45/39/268284539.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 1 3 347.462 3.001 20 30 EGEDHO N#Cc1cccc(OCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284541 /nfs/dbraw/zinc/28/45/41/268284541.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 1 3 347.462 3.001 20 30 EGEDHO C[NH+](C)CCCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177695996 323344882 /nfs/dbraw/zinc/34/48/82/323344882.db2.gz GVGTWLYLTYHPRW-UHFFFAOYSA-N 1 3 329.469 3.240 20 30 EGEDHO COCC[NH+]1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091412343 454433596 /nfs/dbraw/zinc/43/35/96/454433596.db2.gz NTEDCGOIWOGRTA-UHFFFAOYSA-N 1 3 349.478 3.426 20 30 EGEDHO C=C(C)CN(CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125951116 454858494 /nfs/dbraw/zinc/85/84/94/454858494.db2.gz AOCMJICWUXDIAH-SFHVURJKSA-N 1 3 343.515 3.054 20 30 EGEDHO Cc1ccc(NC(=[NH2+])NCc2cccc(OCCN(C)C)c2)cc1C ZINC000264058032 455188511 /nfs/dbraw/zinc/18/85/11/455188511.db2.gz BTLBWKXDDUPXRU-UHFFFAOYSA-N 1 3 340.471 3.171 20 30 EGEDHO CC1CCN(C(=[NH2+])NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000264094884 455190352 /nfs/dbraw/zinc/19/03/52/455190352.db2.gz MELBYRZRSCFFHQ-MRXNPFEDSA-N 1 3 334.533 3.007 20 30 EGEDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181616122 455363231 /nfs/dbraw/zinc/36/32/31/455363231.db2.gz ICVYFENZFSOZGS-BZSNNMDCSA-N 1 3 345.487 3.129 20 30 EGEDHO CC(C)[NH+]1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000160191258 455436702 /nfs/dbraw/zinc/43/67/02/455436702.db2.gz LCJJKDGRYXZUMI-SFHVURJKSA-N 1 3 344.478 3.129 20 30 EGEDHO COc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1C#N ZINC000281579926 456269544 /nfs/dbraw/zinc/26/95/44/456269544.db2.gz DFIDUKSSTFMEQT-HXUWFJFHSA-N 1 3 349.478 3.221 20 30 EGEDHO C=C(C)CN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338539727 456837349 /nfs/dbraw/zinc/83/73/49/456837349.db2.gz KQFXBBKVZSRMKJ-UHFFFAOYSA-N 1 3 341.499 3.053 20 30 EGEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305649 457803945 /nfs/dbraw/zinc/80/39/45/457803945.db2.gz OIFQIIHMANRXLI-AJYBTWMASA-N 1 3 341.499 3.242 20 30 EGEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305649 457803956 /nfs/dbraw/zinc/80/39/56/457803956.db2.gz OIFQIIHMANRXLI-AJYBTWMASA-N 1 3 341.499 3.242 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000433364577 457821715 /nfs/dbraw/zinc/82/17/15/457821715.db2.gz NRTXVQVJIVBANK-UXHICEINSA-N 1 3 339.483 3.093 20 30 EGEDHO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512612489 458786007 /nfs/dbraw/zinc/78/60/07/458786007.db2.gz OSPUQCRPLYJHJD-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612489 458786013 /nfs/dbraw/zinc/78/60/13/458786013.db2.gz OSPUQCRPLYJHJD-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612489 458786020 /nfs/dbraw/zinc/78/60/20/458786020.db2.gz OSPUQCRPLYJHJD-QHAWAJNXSA-N 1 3 328.500 3.469 20 30 EGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C#N)c1 ZINC000481173805 459237510 /nfs/dbraw/zinc/23/75/10/459237510.db2.gz GXUSOWIUPQJHLX-AVRDEDQJSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C#N)c1 ZINC000481173805 459237517 /nfs/dbraw/zinc/23/75/17/459237517.db2.gz GXUSOWIUPQJHLX-AVRDEDQJSA-N 1 3 349.478 3.437 20 30 EGEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560546045 459371228 /nfs/dbraw/zinc/37/12/28/459371228.db2.gz SKBUTMHPGMPCKV-LNRXMEIDSA-N 1 3 342.527 3.451 20 30 EGEDHO N#CCCC1CCN(CCOCC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000564916594 459779844 /nfs/dbraw/zinc/77/98/44/459779844.db2.gz POAINJZCENHLLN-UHFFFAOYSA-N 1 3 346.519 3.035 20 30 EGEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612859 459963079 /nfs/dbraw/zinc/96/30/79/459963079.db2.gz CFYMXXOGVXPGTP-IRXDYDNUSA-N 1 3 349.544 3.111 20 30 EGEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612859 459963088 /nfs/dbraw/zinc/96/30/88/459963088.db2.gz CFYMXXOGVXPGTP-IRXDYDNUSA-N 1 3 349.544 3.111 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701402 459999311 /nfs/dbraw/zinc/99/93/11/459999311.db2.gz USVYKEDLDYQLJJ-YLJYHZDGSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701402 459999319 /nfs/dbraw/zinc/99/93/19/459999319.db2.gz USVYKEDLDYQLJJ-YLJYHZDGSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440433 460221312 /nfs/dbraw/zinc/22/13/12/460221312.db2.gz CGFBJJYGCQCCAV-VQIMIIECSA-N 1 3 342.487 3.411 20 30 EGEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594440433 460221316 /nfs/dbraw/zinc/22/13/16/460221316.db2.gz CGFBJJYGCQCCAV-VQIMIIECSA-N 1 3 342.487 3.411 20 30 EGEDHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccccc1OC(F)(F)F ZINC000160659829 1294274272 /nfs/dbraw/zinc/27/42/72/1294274272.db2.gz KURFTNNCQDFJEG-UHFFFAOYSA-N 1 3 344.381 3.188 20 30 EGEDHO C[N@H+](CCCCNCc1cc(C#N)ccc1Br)C1CC1 ZINC000922172917 1322471809 /nfs/dbraw/zinc/47/18/09/1322471809.db2.gz YXLFHSNFGXBRRI-UHFFFAOYSA-N 1 3 336.277 3.285 20 30 EGEDHO C[N@@H+](CCCCNCc1cc(C#N)ccc1Br)C1CC1 ZINC000922172917 1322471811 /nfs/dbraw/zinc/47/18/11/1322471811.db2.gz YXLFHSNFGXBRRI-UHFFFAOYSA-N 1 3 336.277 3.285 20 30 EGEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303873920 1296864009 /nfs/dbraw/zinc/86/40/09/1296864009.db2.gz GZKFYXGKUCHIJK-OAHLLOKOSA-N 1 3 348.491 3.085 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000303891286 1296870357 /nfs/dbraw/zinc/87/03/57/1296870357.db2.gz MYXKNDBMFQXSLS-CVEARBPZSA-N 1 3 332.492 3.463 20 30 EGEDHO C=C(C)CNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304759387 1296941189 /nfs/dbraw/zinc/94/11/89/1296941189.db2.gz RCIGIQOEXAGHGJ-UHFFFAOYSA-N 1 3 334.895 3.032 20 30 EGEDHO C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OC ZINC000774239046 1303789404 /nfs/dbraw/zinc/78/94/04/1303789404.db2.gz HOSSMGMSAQLFGO-AYHJJNSGSA-N 1 3 330.472 3.147 20 30 EGEDHO CC(C)(C)CC[C@@H](N)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000904376331 1317839394 /nfs/dbraw/zinc/83/93/94/1317839394.db2.gz OXWNFSPCFGVJIE-LJQANCHMSA-N 1 3 342.531 3.266 20 30 EGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819025129 1319618530 /nfs/dbraw/zinc/61/85/30/1319618530.db2.gz YWNUKSKIZZZBDU-KRWDZBQOSA-N 1 3 342.405 3.369 20 30 EGEDHO CC(C)(CCC#N)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849077828 1322069317 /nfs/dbraw/zinc/06/93/17/1322069317.db2.gz PTRSYVCDFDNURN-UHFFFAOYSA-N 1 3 341.503 3.095 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814191 1323718507 /nfs/dbraw/zinc/71/85/07/1323718507.db2.gz PEYMYXALRTUPCD-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814191 1323718513 /nfs/dbraw/zinc/71/85/13/1323718513.db2.gz PEYMYXALRTUPCD-IBGZPJMESA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153704 1336164660 /nfs/dbraw/zinc/16/46/60/1336164660.db2.gz NJQMDVTUXAEKPC-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153704 1336164662 /nfs/dbraw/zinc/16/46/62/1336164662.db2.gz NJQMDVTUXAEKPC-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153961 1344837987 /nfs/dbraw/zinc/83/79/87/1344837987.db2.gz LWNFVZMZZHEMPW-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153961 1344837991 /nfs/dbraw/zinc/83/79/91/1344837991.db2.gz LWNFVZMZZHEMPW-VQTJNVASSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045941017 1346777416 /nfs/dbraw/zinc/77/74/16/1346777416.db2.gz HHXANNNVIUNGHO-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045941017 1346777419 /nfs/dbraw/zinc/77/74/19/1346777419.db2.gz HHXANNNVIUNGHO-PZJWPPBQSA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088654 1348914462 /nfs/dbraw/zinc/91/44/62/1348914462.db2.gz YTPKRGGCTZWFSJ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088654 1348914464 /nfs/dbraw/zinc/91/44/64/1348914464.db2.gz YTPKRGGCTZWFSJ-QUCCMNQESA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749324 1359626381 /nfs/dbraw/zinc/62/63/81/1359626381.db2.gz GAIMLIYSMNNSQR-GBESFXJTSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1CC ZINC001087749324 1359626383 /nfs/dbraw/zinc/62/63/83/1359626383.db2.gz GAIMLIYSMNNSQR-GBESFXJTSA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087839650 1359673885 /nfs/dbraw/zinc/67/38/85/1359673885.db2.gz MYKATXZQIPEBFE-VQTJNVASSA-N 1 3 343.515 3.297 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087839650 1359673888 /nfs/dbraw/zinc/67/38/88/1359673888.db2.gz MYKATXZQIPEBFE-VQTJNVASSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509550 1360480673 /nfs/dbraw/zinc/48/06/73/1360480673.db2.gz JEFWDHYGRHIXRS-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509550 1360480675 /nfs/dbraw/zinc/48/06/75/1360480675.db2.gz JEFWDHYGRHIXRS-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509321 1360480707 /nfs/dbraw/zinc/48/07/07/1360480707.db2.gz ASOKMGRPTCFCHD-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509321 1360480710 /nfs/dbraw/zinc/48/07/10/1360480710.db2.gz ASOKMGRPTCFCHD-RTBURBONSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511282 1360483009 /nfs/dbraw/zinc/48/30/09/1360483009.db2.gz PNFDMMRDLIQGGI-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511282 1360483011 /nfs/dbraw/zinc/48/30/11/1360483011.db2.gz PNFDMMRDLIQGGI-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639540 1360553157 /nfs/dbraw/zinc/55/31/57/1360553157.db2.gz XGHZUIZSVSUUMA-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639540 1360553159 /nfs/dbraw/zinc/55/31/59/1360553159.db2.gz XGHZUIZSVSUUMA-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001089706355 1360609058 /nfs/dbraw/zinc/60/90/58/1360609058.db2.gz RIJPQESOEZYPEU-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001089706355 1360609059 /nfs/dbraw/zinc/60/90/59/1360609059.db2.gz RIJPQESOEZYPEU-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001098827354 1363484341 /nfs/dbraw/zinc/48/43/41/1363484341.db2.gz UYHOAFGSMGCCDS-AZUAARDMSA-N 1 3 349.563 3.290 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185731065 1387785827 /nfs/dbraw/zinc/78/58/27/1387785827.db2.gz LJEFRIDYDUKPLS-QGZVFWFLSA-N 1 3 325.541 3.125 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185750682 1387789573 /nfs/dbraw/zinc/78/95/73/1387789573.db2.gz LUGZHUZMYOITKZ-OALUTQOASA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107035832 1366862086 /nfs/dbraw/zinc/86/20/86/1366862086.db2.gz AHIABYVMWMLPRU-VAMGGRTRSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646548 1367091863 /nfs/dbraw/zinc/09/18/63/1367091863.db2.gz JYTXYIINWMDOOC-TZIWHRDSSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646548 1367091873 /nfs/dbraw/zinc/09/18/73/1367091873.db2.gz JYTXYIINWMDOOC-TZIWHRDSSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108687961 1367533200 /nfs/dbraw/zinc/53/32/00/1367533200.db2.gz MMOPLIICGRVXKR-OTWHNJEPSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994117 1368137511 /nfs/dbraw/zinc/13/75/11/1368137511.db2.gz OYDWEZFFMZAJLS-AKHDSKFASA-N 1 3 335.536 3.041 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994117 1368137516 /nfs/dbraw/zinc/13/75/16/1368137516.db2.gz OYDWEZFFMZAJLS-AKHDSKFASA-N 1 3 335.536 3.041 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266241 1368219644 /nfs/dbraw/zinc/21/96/44/1368219644.db2.gz MULWSJOLNNPMHY-MOPGFXCFSA-N 1 3 337.552 3.364 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266241 1368219646 /nfs/dbraw/zinc/21/96/46/1368219646.db2.gz MULWSJOLNNPMHY-MOPGFXCFSA-N 1 3 337.552 3.364 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221440 1368983778 /nfs/dbraw/zinc/98/37/78/1368983778.db2.gz JPXXJHNULAIOPY-KDURUIRLSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221440 1368983781 /nfs/dbraw/zinc/98/37/81/1368983781.db2.gz JPXXJHNULAIOPY-KDURUIRLSA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202928329 1369928651 /nfs/dbraw/zinc/92/86/51/1369928651.db2.gz FCQDPLGJWLDNGB-ZWKOTPCHSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206302423 1371015688 /nfs/dbraw/zinc/01/56/88/1371015688.db2.gz YNRZJLDGGHKNTL-KRWDZBQOSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207795943 1371505970 /nfs/dbraw/zinc/50/59/70/1371505970.db2.gz PHRZINNFOLNKPT-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207795943 1371505974 /nfs/dbraw/zinc/50/59/74/1371505974.db2.gz PHRZINNFOLNKPT-AQNXPRMDSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393923 1371561491 /nfs/dbraw/zinc/56/14/91/1371561491.db2.gz YYBXRUBWNAKUPZ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001120393923 1371561497 /nfs/dbraw/zinc/56/14/97/1371561497.db2.gz YYBXRUBWNAKUPZ-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208014402 1371568606 /nfs/dbraw/zinc/56/86/06/1371568606.db2.gz QBYXTBXTSMXDEJ-OALUTQOASA-N 1 3 337.552 3.410 20 30 EGEDHO CCC#C[C@@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160288 1375400331 /nfs/dbraw/zinc/40/03/31/1375400331.db2.gz FIJJFXJRASBGNB-QGZVFWFLSA-N 1 3 345.531 3.052 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001132523884 1375439233 /nfs/dbraw/zinc/43/92/33/1375439233.db2.gz BLDKOYGCIGALHI-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001132523884 1375439235 /nfs/dbraw/zinc/43/92/35/1375439235.db2.gz BLDKOYGCIGALHI-PXNSSMCTSA-N 1 3 343.515 3.297 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229212831 1375788291 /nfs/dbraw/zinc/78/82/91/1375788291.db2.gz DBQZOELNSGIVQR-QZTJIDSGSA-N 1 3 325.541 3.316 20 30 EGEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001229615488 1375865417 /nfs/dbraw/zinc/86/54/17/1375865417.db2.gz LXANJHGDWQTELS-QRVBRYPASA-N 1 3 335.536 3.234 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341147 1375931485 /nfs/dbraw/zinc/93/14/85/1375931485.db2.gz BAADBOYHBVRCNI-MJGOQNOKSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265650 1376795192 /nfs/dbraw/zinc/79/51/92/1376795192.db2.gz KFTGESBTMROMIP-RTBURBONSA-N 1 3 337.552 3.362 20 30 EGEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265650 1376795197 /nfs/dbraw/zinc/79/51/97/1376795197.db2.gz KFTGESBTMROMIP-RTBURBONSA-N 1 3 337.552 3.362 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085147 1380405171 /nfs/dbraw/zinc/40/51/71/1380405171.db2.gz JDNHTMWQWMSSBD-QZTJIDSGSA-N 1 3 327.557 3.370 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085147 1380405172 /nfs/dbraw/zinc/40/51/72/1380405172.db2.gz JDNHTMWQWMSSBD-QZTJIDSGSA-N 1 3 327.557 3.370 20 30 EGEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161220202 1382347113 /nfs/dbraw/zinc/34/71/13/1382347113.db2.gz YQJRYIJFLHWGHO-LJQANCHMSA-N 1 3 347.547 3.213 20 30 EGEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161220202 1382347115 /nfs/dbraw/zinc/34/71/15/1382347115.db2.gz YQJRYIJFLHWGHO-LJQANCHMSA-N 1 3 347.547 3.213 20 30 EGEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385793 1383618880 /nfs/dbraw/zinc/61/88/80/1383618880.db2.gz UBDAJYAOXMSVQQ-SFHVURJKSA-N 1 3 335.536 3.092 20 30 EGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172299620 1384763219 /nfs/dbraw/zinc/76/32/19/1384763219.db2.gz MVHAQXUGHYHAJY-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271398 1385236113 /nfs/dbraw/zinc/23/61/13/1385236113.db2.gz BBENBLFOUOSBAW-MSOLQXFVSA-N 1 3 337.552 3.338 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177409154 1385946345 /nfs/dbraw/zinc/94/63/45/1385946345.db2.gz NTJFHIZRERWTCU-LJQANCHMSA-N 1 3 337.552 3.147 20 30 EGEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746489 1386570705 /nfs/dbraw/zinc/57/07/05/1386570705.db2.gz VNWZBVIMCGKDQP-QGZVFWFLSA-N 1 3 343.943 3.268 20 30 EGEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001752536490 1440194315 /nfs/dbraw/zinc/19/43/15/1440194315.db2.gz XGAZWXJGVFVRDN-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001752536490 1440194316 /nfs/dbraw/zinc/19/43/16/1440194316.db2.gz XGAZWXJGVFVRDN-AQNXPRMDSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752969497 1440254636 /nfs/dbraw/zinc/25/46/36/1440254636.db2.gz SASJCFHKIOMLSI-ROUUACIJSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001753282097 1440347752 /nfs/dbraw/zinc/34/77/52/1440347752.db2.gz ACFLBDZAQXIAOI-PKOBYXMFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755411321 1440846497 /nfs/dbraw/zinc/84/64/97/1440846497.db2.gz BTSIFKYAVPJJOY-SFHVURJKSA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755411321 1440846498 /nfs/dbraw/zinc/84/64/98/1440846498.db2.gz BTSIFKYAVPJJOY-SFHVURJKSA-N 1 3 347.547 3.188 20 30 EGEDHO C[NH+]1CCC(Oc2ccc(CNCc3cc(C#N)cs3)cc2)CC1 ZINC000341282749 155228644 /nfs/dbraw/zinc/22/86/44/155228644.db2.gz XYUSCFZMTNVXFY-UHFFFAOYSA-N 1 3 341.480 3.383 20 30 EGEDHO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000118396841 287130918 /nfs/dbraw/zinc/13/09/18/287130918.db2.gz OTRVKWYMIJPGOA-KSZLIROESA-N 1 3 341.499 3.440 20 30 EGEDHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271975686 267185262 /nfs/dbraw/zinc/18/52/62/267185262.db2.gz XQPUHESQCNXUME-HNNXBMFYSA-N 1 3 341.430 3.489 20 30 EGEDHO N#Cc1ccc([C@@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121721288 454469752 /nfs/dbraw/zinc/46/97/52/454469752.db2.gz RHSSBDZKBIYAEH-NRFANRHFSA-N 1 3 341.499 3.180 20 30 EGEDHO CCCC[N@H+](C)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000052209492 454661166 /nfs/dbraw/zinc/66/11/66/454661166.db2.gz NFADGWFTCNQYEM-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO CCCC[N@@H+](C)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000052209492 454661170 /nfs/dbraw/zinc/66/11/70/454661170.db2.gz NFADGWFTCNQYEM-UHFFFAOYSA-N 1 3 329.488 3.381 20 30 EGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271974198 455809674 /nfs/dbraw/zinc/80/96/74/455809674.db2.gz VFXIFHMFAWBOOJ-BZUAXINKSA-N 1 3 333.451 3.237 20 30 EGEDHO CN(C)Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000340173381 456290414 /nfs/dbraw/zinc/29/04/14/456290414.db2.gz GWXPFYDXJURNJB-UHFFFAOYSA-N 1 3 348.494 3.378 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000357126756 457336548 /nfs/dbraw/zinc/33/65/48/457336548.db2.gz SVRGNUMOGMAEMB-IBGZPJMESA-N 1 3 327.472 3.141 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358141406 457811051 /nfs/dbraw/zinc/81/10/51/457811051.db2.gz OWRJGFPPNABCMO-NUVZVAJJSA-N 1 3 339.483 3.465 20 30 EGEDHO CN(C)CCOc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449128612 458420825 /nfs/dbraw/zinc/42/08/25/458420825.db2.gz STEWYQNBRKQBEK-UHFFFAOYSA-N 1 3 329.488 3.232 20 30 EGEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000594967969 459199495 /nfs/dbraw/zinc/19/94/95/459199495.db2.gz BLPVUXYRSKKUIG-UHFFFAOYSA-N 1 3 338.430 3.094 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000591572115 459404208 /nfs/dbraw/zinc/40/42/08/459404208.db2.gz SXIVGYLUIOBSPZ-GWFLUQINSA-N 1 3 327.472 3.355 20 30 EGEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000591572120 459404446 /nfs/dbraw/zinc/40/44/46/459404446.db2.gz SXIVGYLUIOBSPZ-RXQRSOPUSA-N 1 3 327.472 3.355 20 30 EGEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000583989312 459629950 /nfs/dbraw/zinc/62/99/50/459629950.db2.gz VUDLAXGLIIXELZ-LJQANCHMSA-N 1 3 346.515 3.007 20 30 EGEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000602593805 460013781 /nfs/dbraw/zinc/01/37/81/460013781.db2.gz PBIYFPFGQWPCTE-SFHVURJKSA-N 1 3 341.499 3.471 20 30 EGEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000192724905 1295793560 /nfs/dbraw/zinc/79/35/60/1295793560.db2.gz WSEKQSFAISZZNI-QFIPXVFZSA-N 1 3 339.527 3.025 20 30 EGEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000192724905 1295793564 /nfs/dbraw/zinc/79/35/64/1295793564.db2.gz WSEKQSFAISZZNI-QFIPXVFZSA-N 1 3 339.527 3.025 20 30 EGEDHO Cc1ccccc1C[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763231617 1301852620 /nfs/dbraw/zinc/85/26/20/1301852620.db2.gz OLYUQQCOEMEADF-QFIPXVFZSA-N 1 3 349.478 3.154 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811302 1323713640 /nfs/dbraw/zinc/71/36/40/1323713640.db2.gz PJCGHLQFMPAERD-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811302 1323713642 /nfs/dbraw/zinc/71/36/42/1323713642.db2.gz PJCGHLQFMPAERD-FQEVSTJZSA-N 1 3 343.515 3.299 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928451 1336093013 /nfs/dbraw/zinc/09/30/13/1336093013.db2.gz LFBBNKSZLULRRH-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928451 1336093014 /nfs/dbraw/zinc/09/30/14/1336093014.db2.gz LFBBNKSZLULRRH-OALUTQOASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928450 1336093388 /nfs/dbraw/zinc/09/33/88/1336093388.db2.gz LFBBNKSZLULRRH-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928450 1336093391 /nfs/dbraw/zinc/09/33/91/1336093391.db2.gz LFBBNKSZLULRRH-MOPGFXCFSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001006083667 1336449183 /nfs/dbraw/zinc/44/91/83/1336449183.db2.gz LPHXPFQVSRHDPL-LJQANCHMSA-N 1 3 335.536 3.138 20 30 EGEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537656 1342594773 /nfs/dbraw/zinc/59/47/73/1342594773.db2.gz NASNUIPROMORLM-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537656 1342594775 /nfs/dbraw/zinc/59/47/75/1342594775.db2.gz NASNUIPROMORLM-HXUWFJFHSA-N 1 3 343.515 3.299 20 30 EGEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037981731 1344218351 /nfs/dbraw/zinc/21/83/51/1344218351.db2.gz GVOLFQCSUUHUFS-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040431416 1345494875 /nfs/dbraw/zinc/49/48/75/1345494875.db2.gz IBBSFSJCDVEOLY-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040431416 1345494876 /nfs/dbraw/zinc/49/48/76/1345494876.db2.gz IBBSFSJCDVEOLY-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040433591 1345496595 /nfs/dbraw/zinc/49/65/95/1345496595.db2.gz XVRWWODEIDTVFW-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040433591 1345496596 /nfs/dbraw/zinc/49/65/96/1345496596.db2.gz XVRWWODEIDTVFW-PZJWPPBQSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048530732 1347580188 /nfs/dbraw/zinc/58/01/88/1347580188.db2.gz AATRVKXCAYBTHQ-IYWMVGAKSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048530732 1347580191 /nfs/dbraw/zinc/58/01/91/1347580191.db2.gz AATRVKXCAYBTHQ-IYWMVGAKSA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052762741 1348668434 /nfs/dbraw/zinc/66/84/34/1348668434.db2.gz BKRJKCPDEVSZAE-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001052762741 1348668435 /nfs/dbraw/zinc/66/84/35/1348668435.db2.gz BKRJKCPDEVSZAE-OALUTQOASA-N 1 3 335.536 3.186 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386285 1360387113 /nfs/dbraw/zinc/38/71/13/1360387113.db2.gz OBBOAXHFWZDSGT-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386285 1360387116 /nfs/dbraw/zinc/38/71/16/1360387116.db2.gz OBBOAXHFWZDSGT-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001098827360 1363484292 /nfs/dbraw/zinc/48/42/92/1363484292.db2.gz UYHOAFGSMGCCDS-UYAOXDASSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106278 1363625563 /nfs/dbraw/zinc/62/55/63/1363625563.db2.gz CPFANEPYGQXDDF-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106278 1363625566 /nfs/dbraw/zinc/62/55/66/1363625566.db2.gz CPFANEPYGQXDDF-QZTJIDSGSA-N 1 3 335.536 3.042 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335023 1364082728 /nfs/dbraw/zinc/08/27/28/1364082728.db2.gz GTRUWIINZARQSW-UHFFFAOYSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001101575076 1364628914 /nfs/dbraw/zinc/62/89/14/1364628914.db2.gz RUZILZQHKGHJLV-GOSISDBHSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001101574834 1364628941 /nfs/dbraw/zinc/62/89/41/1364628941.db2.gz GELLHHVGIQTIJA-UHFFFAOYSA-N 1 3 337.552 3.005 20 30 EGEDHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(C#N)cc1 ZINC001324924226 1387826072 /nfs/dbraw/zinc/82/60/72/1387826072.db2.gz MQTKCIQGUTYBQR-GOSISDBHSA-N 1 3 348.494 3.156 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406108 1367775411 /nfs/dbraw/zinc/77/54/11/1367775411.db2.gz BFFTXCBHSKTIRC-GOSISDBHSA-N 1 3 339.568 3.467 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406108 1367775414 /nfs/dbraw/zinc/77/54/14/1367775414.db2.gz BFFTXCBHSKTIRC-GOSISDBHSA-N 1 3 339.568 3.467 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738407 1367955481 /nfs/dbraw/zinc/95/54/81/1367955481.db2.gz CQJDJJXGWSDYRW-KURKYZTESA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110738407 1367955488 /nfs/dbraw/zinc/95/54/88/1367955488.db2.gz CQJDJJXGWSDYRW-KURKYZTESA-N 1 3 335.536 3.185 20 30 EGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202540049 1369802980 /nfs/dbraw/zinc/80/29/80/1369802980.db2.gz TUEWIKMRBUYFIV-UHFFFAOYSA-N 1 3 337.552 3.291 20 30 EGEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930490 1369929028 /nfs/dbraw/zinc/92/90/28/1369929028.db2.gz VURUIHCTPYDCLK-MSOLQXFVSA-N 1 3 347.547 3.234 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203652392 1370201835 /nfs/dbraw/zinc/20/18/35/1370201835.db2.gz UGYBYHWBSPHNST-ZWKOTPCHSA-N 1 3 337.552 3.316 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115533859 1370531263 /nfs/dbraw/zinc/53/12/63/1370531263.db2.gz VPIJMJIDMWYCFH-INIZCTEOSA-N 1 3 341.927 3.020 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533859 1370531265 /nfs/dbraw/zinc/53/12/65/1370531265.db2.gz VPIJMJIDMWYCFH-INIZCTEOSA-N 1 3 341.927 3.020 20 30 EGEDHO C=CCC[NH2+]C1(CNC(=O)CN(C)CCCCCC)CCCCC1 ZINC001115776101 1370759592 /nfs/dbraw/zinc/75/95/92/1370759592.db2.gz IWFQLZZQJMEDKH-UHFFFAOYSA-N 1 3 337.552 3.483 20 30 EGEDHO C[C@@H]1CCN(Cc2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205654490 1370829958 /nfs/dbraw/zinc/82/99/58/1370829958.db2.gz XALKCAWJTGSFLK-TZMCWYRMSA-N 1 3 336.277 3.128 20 30 EGEDHO C[C@@H]1CN(Cc2ccc(Br)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206011477 1370937835 /nfs/dbraw/zinc/93/78/35/1370937835.db2.gz CPYZQCCTXWAWPV-OCCSQVGLSA-N 1 3 336.277 3.128 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169913 1370978967 /nfs/dbraw/zinc/97/89/67/1370978967.db2.gz UAZLRKFHLYDGLB-LJQANCHMSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209439310 1372107078 /nfs/dbraw/zinc/10/70/78/1372107078.db2.gz MGGSPSYQZDNTPC-AABGKKOBSA-N 1 3 345.535 3.199 20 30 EGEDHO C=CCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209439310 1372107080 /nfs/dbraw/zinc/10/70/80/1372107080.db2.gz MGGSPSYQZDNTPC-AABGKKOBSA-N 1 3 345.535 3.199 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226941436 1375362832 /nfs/dbraw/zinc/36/28/32/1375362832.db2.gz AVMCQWSZNYFUOW-QRVBRYPASA-N 1 3 337.552 3.336 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133343481 1375933644 /nfs/dbraw/zinc/93/36/44/1375933644.db2.gz YCOUYZMBMHJZHI-HKUYNNGSSA-N 1 3 343.515 3.012 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346745 1375934881 /nfs/dbraw/zinc/93/48/81/1375934881.db2.gz ONUZNEDQRQJOKQ-RTBURBONSA-N 1 3 339.568 3.371 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854671 1380144326 /nfs/dbraw/zinc/14/43/26/1380144326.db2.gz PFQYRBWATXZXOJ-QGZVFWFLSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854671 1380144327 /nfs/dbraw/zinc/14/43/27/1380144327.db2.gz PFQYRBWATXZXOJ-QGZVFWFLSA-N 1 3 325.541 3.268 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232479 1383570661 /nfs/dbraw/zinc/57/06/61/1383570661.db2.gz DMJMBMRHFSMRGM-SFHVURJKSA-N 1 3 337.552 3.175 20 30 EGEDHO CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167635232 1383693817 /nfs/dbraw/zinc/69/38/17/1383693817.db2.gz LUMFOBCIAMOANK-GOSISDBHSA-N 1 3 325.541 3.316 20 30 EGEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177484685 1385974338 /nfs/dbraw/zinc/97/43/38/1385974338.db2.gz HQLFXRGMQAWDPG-ROUUACIJSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179589822 1386525266 /nfs/dbraw/zinc/52/52/66/1386525266.db2.gz CDKHBAFWGWFKCX-IBGZPJMESA-N 1 3 341.515 3.041 20 30 EGEDHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC001320641176 1386676048 /nfs/dbraw/zinc/67/60/48/1386676048.db2.gz ZGUIMCJOMTWCRM-SFHVURJKSA-N 1 3 348.494 3.156 20 30 EGEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC001182806532 1387227527 /nfs/dbraw/zinc/22/75/27/1387227527.db2.gz IYAODBQYGKOIIZ-SFHLNBCPSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001481536937 1394396368 /nfs/dbraw/zinc/39/63/68/1394396368.db2.gz XHOZYHQCFHSLTC-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001481536937 1394396373 /nfs/dbraw/zinc/39/63/73/1394396373.db2.gz XHOZYHQCFHSLTC-AZUAARDMSA-N 1 3 347.547 3.330 20 30 EGEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001753421909 1440395654 /nfs/dbraw/zinc/39/56/54/1440395654.db2.gz BKGXMEVRJNYJJH-OALUTQOASA-N 1 3 347.547 3.118 20 30 EGEDHO C=CCC[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001753577630 1440439577 /nfs/dbraw/zinc/43/95/77/1440439577.db2.gz KFQWTAFNALRSKI-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001753669537 1440461497 /nfs/dbraw/zinc/46/14/97/1440461497.db2.gz VZCYKAYNAFEUGR-GOSISDBHSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001755763313 1440915426 /nfs/dbraw/zinc/91/54/26/1440915426.db2.gz DSSNWBMSMOZEJU-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](C)N3CCCCCC3)CC2)CC1 ZINC001755870238 1440938880 /nfs/dbraw/zinc/93/88/80/1440938880.db2.gz ZDVYHMUDKMSUSX-SFHVURJKSA-N 1 3 347.547 3.188 20 30 EGEDHO CN(C)Cc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000285608985 266505939 /nfs/dbraw/zinc/50/59/39/266505939.db2.gz KCVLKEBVOGWZTQ-UHFFFAOYSA-N 1 3 348.494 3.378 20 30 EGEDHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(C#N)cc3)cc2)CC1 ZINC000284195431 266584919 /nfs/dbraw/zinc/58/49/19/266584919.db2.gz YNHFXPZSXOVFQO-UHFFFAOYSA-N 1 3 335.451 3.321 20 30 EGEDHO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCN(CC)C2)ccc1OC ZINC000057970078 454158601 /nfs/dbraw/zinc/15/86/01/454158601.db2.gz SQQOGVDBWNPPLO-GOSISDBHSA-N 1 3 332.488 3.472 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000093660106 454726780 /nfs/dbraw/zinc/72/67/80/454726780.db2.gz WKRSMPRZLQAXAH-IBGZPJMESA-N 1 3 328.504 3.343 20 30 EGEDHO CN(CCC#N)c1ccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000093660106 454726782 /nfs/dbraw/zinc/72/67/82/454726782.db2.gz WKRSMPRZLQAXAH-IBGZPJMESA-N 1 3 328.504 3.343 20 30 EGEDHO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185705007 455600368 /nfs/dbraw/zinc/60/03/68/455600368.db2.gz XCDUSJDHLRJIGJ-SJLPKXTDSA-N 1 3 327.472 3.180 20 30 EGEDHO C=CCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1O ZINC000289768774 456141237 /nfs/dbraw/zinc/14/12/37/456141237.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 1 3 330.472 3.186 20 30 EGEDHO C=CCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1O ZINC000289768774 456141243 /nfs/dbraw/zinc/14/12/43/456141243.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 1 3 330.472 3.186 20 30 EGEDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545875 459992057 /nfs/dbraw/zinc/99/20/57/459992057.db2.gz RBVYKSQZSDPTNN-QGZVFWFLSA-N 1 3 329.488 3.327 20 30 EGEDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545875 459992062 /nfs/dbraw/zinc/99/20/62/459992062.db2.gz RBVYKSQZSDPTNN-QGZVFWFLSA-N 1 3 329.488 3.327 20 30 EGEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700514 459998156 /nfs/dbraw/zinc/99/81/56/459998156.db2.gz OLHQHERIDBPCOM-FXAWDEMLSA-N 1 3 343.515 3.309 20 30 EGEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700514 459998162 /nfs/dbraw/zinc/99/81/62/459998162.db2.gz OLHQHERIDBPCOM-FXAWDEMLSA-N 1 3 343.515 3.309 20 30 EGEDHO CC(C)CNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304764116 1296942940 /nfs/dbraw/zinc/94/29/40/1296942940.db2.gz XPYCXJQWIMFFLW-UHFFFAOYSA-N 1 3 336.911 3.112 20 30 EGEDHO CC(C)N1CCN(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)CC1 ZINC000930130587 1328793456 /nfs/dbraw/zinc/79/34/56/1328793456.db2.gz QBPGPWHHSVYWCY-UHFFFAOYSA-N 1 3 346.563 3.341 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257645 1324064334 /nfs/dbraw/zinc/06/43/34/1324064334.db2.gz FMNXYNYZIBCPEB-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257645 1324064341 /nfs/dbraw/zinc/06/43/41/1324064341.db2.gz FMNXYNYZIBCPEB-MOPGFXCFSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627614 1324478837 /nfs/dbraw/zinc/47/88/37/1324478837.db2.gz ADHQUIRQZWDUPZ-MSOLQXFVSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627614 1324478844 /nfs/dbraw/zinc/47/88/44/1324478844.db2.gz ADHQUIRQZWDUPZ-MSOLQXFVSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC000970719498 1336335561 /nfs/dbraw/zinc/33/55/61/1336335561.db2.gz RZWIPMZNMJSLTP-MJGOQNOKSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040433589 1345496186 /nfs/dbraw/zinc/49/61/86/1345496186.db2.gz XVRWWODEIDTVFW-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040433589 1345496188 /nfs/dbraw/zinc/49/61/88/1345496188.db2.gz XVRWWODEIDTVFW-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938168 1346774140 /nfs/dbraw/zinc/77/41/40/1346774140.db2.gz TYYBOIRUXSYDQF-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938168 1346774141 /nfs/dbraw/zinc/77/41/41/1346774141.db2.gz TYYBOIRUXSYDQF-CTNGQTDRSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563657 1347911860 /nfs/dbraw/zinc/91/18/60/1347911860.db2.gz GNNOXOUOLQJFMC-MOPGFXCFSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563657 1347911863 /nfs/dbraw/zinc/91/18/63/1347911863.db2.gz GNNOXOUOLQJFMC-MOPGFXCFSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906810 1348104677 /nfs/dbraw/zinc/10/46/77/1348104677.db2.gz AHZFOEPNYMEYFK-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049906810 1348104678 /nfs/dbraw/zinc/10/46/78/1348104678.db2.gz AHZFOEPNYMEYFK-WOJBJXKFSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049914870 1348109609 /nfs/dbraw/zinc/10/96/09/1348109609.db2.gz RMRFIWSXHDITSX-VAMGGRTRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049914870 1348109613 /nfs/dbraw/zinc/10/96/13/1348109613.db2.gz RMRFIWSXHDITSX-VAMGGRTRSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209241 1349210779 /nfs/dbraw/zinc/21/07/79/1349210779.db2.gz MAXOZVKFFFMAOI-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209241 1349210780 /nfs/dbraw/zinc/21/07/80/1349210780.db2.gz MAXOZVKFFFMAOI-TZIWHRDSSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457843 1360444905 /nfs/dbraw/zinc/44/49/05/1360444905.db2.gz HBOFJKFBWRVIAC-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457843 1360444906 /nfs/dbraw/zinc/44/49/06/1360444906.db2.gz HBOFJKFBWRVIAC-SFHVURJKSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001099228918 1363701759 /nfs/dbraw/zinc/70/17/59/1363701759.db2.gz CZKAITHZDYTDFL-MSOLQXFVSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001099228918 1363701762 /nfs/dbraw/zinc/70/17/62/1363701762.db2.gz CZKAITHZDYTDFL-MSOLQXFVSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368613 1364530554 /nfs/dbraw/zinc/53/05/54/1364530554.db2.gz DLCCIUKQBLIYIR-OPYAIIAOSA-N 1 3 349.563 3.099 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368613 1364530557 /nfs/dbraw/zinc/53/05/57/1364530557.db2.gz DLCCIUKQBLIYIR-OPYAIIAOSA-N 1 3 349.563 3.099 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001101547479 1364611287 /nfs/dbraw/zinc/61/12/87/1364611287.db2.gz CDKQNJMHSUYRAG-UHFFFAOYSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001101547778 1364612011 /nfs/dbraw/zinc/61/20/11/1364612011.db2.gz PEJDLYLSFNVCIT-IBGZPJMESA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087400 1365373991 /nfs/dbraw/zinc/37/39/91/1365373991.db2.gz GHZUTVMJCBBQQC-MISYRCLQSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087400 1365373994 /nfs/dbraw/zinc/37/39/94/1365373994.db2.gz GHZUTVMJCBBQQC-MISYRCLQSA-N 1 3 349.563 3.147 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185549683 1387745837 /nfs/dbraw/zinc/74/58/37/1387745837.db2.gz RHBIXAAUYZMJBJ-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294197 1365978528 /nfs/dbraw/zinc/97/85/28/1365978528.db2.gz CAESUQYZWKIQOS-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741357 1387787720 /nfs/dbraw/zinc/78/77/20/1387787720.db2.gz JWILPRWXVNEKSZ-YLJYHZDGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542056 1366520226 /nfs/dbraw/zinc/52/02/26/1366520226.db2.gz OBYFDYZEUAEEST-IBGZPJMESA-N 1 3 347.547 3.188 20 30 EGEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196060534 1368542644 /nfs/dbraw/zinc/54/26/44/1368542644.db2.gz YZBZGLOYNTVGNK-IBGZPJMESA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC001196060534 1368542646 /nfs/dbraw/zinc/54/26/46/1368542646.db2.gz YZBZGLOYNTVGNK-IBGZPJMESA-N 1 3 335.536 3.142 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353634 1368784814 /nfs/dbraw/zinc/78/48/14/1368784814.db2.gz SLZUTNDWWXXYGR-ZJOUEHCJSA-N 1 3 347.547 3.044 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027791 1369959874 /nfs/dbraw/zinc/95/98/74/1369959874.db2.gz IIXQJFCUGFEFHL-QZTJIDSGSA-N 1 3 349.563 3.458 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114920867 1370150218 /nfs/dbraw/zinc/15/02/18/1370150218.db2.gz BYCIDRVICCROTO-ZRNYENFQSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114920867 1370150223 /nfs/dbraw/zinc/15/02/23/1370150223.db2.gz BYCIDRVICCROTO-ZRNYENFQSA-N 1 3 349.563 3.268 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791694 1370266935 /nfs/dbraw/zinc/26/69/35/1370266935.db2.gz KDQHBWQXXWKLNB-ZWKOTPCHSA-N 1 3 337.552 3.314 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205519176 1370778782 /nfs/dbraw/zinc/77/87/82/1370778782.db2.gz YHWPLFJDWKXUHS-GOSISDBHSA-N 1 3 325.541 3.125 20 30 EGEDHO C[C@H]1CN(Cc2ccc(C#N)cc2Br)CCC[C@H]1C[NH3+] ZINC001205995468 1370933022 /nfs/dbraw/zinc/93/30/22/1370933022.db2.gz OILSHKWXQQYXHI-JSGCOSHPSA-N 1 3 336.277 3.128 20 30 EGEDHO C=CCCC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951329 1371242916 /nfs/dbraw/zinc/24/29/16/1371242916.db2.gz LAYFDRKSTHPUTI-UHFFFAOYSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336745 1372534218 /nfs/dbraw/zinc/53/42/18/1372534218.db2.gz CVMRMTXQNVLPDZ-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336745 1372534223 /nfs/dbraw/zinc/53/42/23/1372534223.db2.gz CVMRMTXQNVLPDZ-MBOZVWFJSA-N 1 3 343.515 3.153 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150316 1375397824 /nfs/dbraw/zinc/39/78/24/1375397824.db2.gz OBWSFAUGSVUSMS-QZTJIDSGSA-N 1 3 337.552 3.480 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133177011 1375824560 /nfs/dbraw/zinc/82/45/60/1375824560.db2.gz CBJKGWRFJOMMKF-OALUTQOASA-N 1 3 337.552 3.149 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346744 1375935111 /nfs/dbraw/zinc/93/51/11/1375935111.db2.gz ONUZNEDQRQJOKQ-RBUKOAKNSA-N 1 3 339.568 3.371 20 30 EGEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611104 1376100652 /nfs/dbraw/zinc/10/06/52/1376100652.db2.gz LZIOIIGANJDSQY-FQEVSTJZSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611104 1376100656 /nfs/dbraw/zinc/10/06/56/1376100656.db2.gz LZIOIIGANJDSQY-FQEVSTJZSA-N 1 3 349.563 3.388 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585501 1378871764 /nfs/dbraw/zinc/87/17/64/1378871764.db2.gz ZAMPZXIOXHXMGI-IAGOWNOFSA-N 1 3 331.504 3.201 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147552645 1379041528 /nfs/dbraw/zinc/04/15/28/1379041528.db2.gz NWALBWQFVMIRRG-GOSISDBHSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147552645 1379041529 /nfs/dbraw/zinc/04/15/29/1379041529.db2.gz NWALBWQFVMIRRG-GOSISDBHSA-N 1 3 347.547 3.140 20 30 EGEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148839958 1379280699 /nfs/dbraw/zinc/28/06/99/1379280699.db2.gz WCCXYECNKAFEEI-IBGZPJMESA-N 1 3 349.563 3.366 20 30 EGEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148839958 1379280702 /nfs/dbraw/zinc/28/07/02/1379280702.db2.gz WCCXYECNKAFEEI-IBGZPJMESA-N 1 3 349.563 3.366 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133899 1382313569 /nfs/dbraw/zinc/31/35/69/1382313569.db2.gz SRBKSNFTPLRHOS-IEBWSBKVSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161133899 1382313574 /nfs/dbraw/zinc/31/35/74/1382313574.db2.gz SRBKSNFTPLRHOS-IEBWSBKVSA-N 1 3 335.536 3.066 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220083 1382347133 /nfs/dbraw/zinc/34/71/33/1382347133.db2.gz SWJFHJLPGNELTN-GOSISDBHSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220083 1382347136 /nfs/dbraw/zinc/34/71/36/1382347136.db2.gz SWJFHJLPGNELTN-GOSISDBHSA-N 1 3 347.547 3.211 20 30 EGEDHO C=CCC[N@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161497103 1382423673 /nfs/dbraw/zinc/42/36/73/1382423673.db2.gz SGQDDSCNVDDNDY-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161497103 1382423676 /nfs/dbraw/zinc/42/36/76/1382423676.db2.gz SGQDDSCNVDDNDY-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCN1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161678189 1382477736 /nfs/dbraw/zinc/47/77/36/1382477736.db2.gz BEDJIGYGQJLQTF-UHFFFAOYSA-N 1 3 335.536 3.213 20 30 EGEDHO C=CCC[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180366032 1386775456 /nfs/dbraw/zinc/77/54/56/1386775456.db2.gz VDZHSZKORDLKBD-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001690487583 1404602160 /nfs/dbraw/zinc/60/21/60/1404602160.db2.gz YPQKIERGZMEPDO-SFHVURJKSA-N 1 3 349.906 3.085 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001754956398 1440716594 /nfs/dbraw/zinc/71/65/94/1440716594.db2.gz PIEZLPSVTZWWSP-FHWLQOOXSA-N 1 3 335.536 3.092 20 30 EGEDHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001755175950 1440770805 /nfs/dbraw/zinc/77/08/05/1440770805.db2.gz NVWRDDNVVLSGFQ-LJQANCHMSA-N 1 3 349.563 3.388 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755412638 1440846959 /nfs/dbraw/zinc/84/69/59/1440846959.db2.gz OYTWZXMTXJMPPH-GOSISDBHSA-N 1 3 349.563 3.412 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001755412638 1440846960 /nfs/dbraw/zinc/84/69/60/1440846960.db2.gz OYTWZXMTXJMPPH-GOSISDBHSA-N 1 3 349.563 3.412 20 30 EGEDHO C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001755865569 1440937827 /nfs/dbraw/zinc/93/78/27/1440937827.db2.gz IWHWCIQIOSNWHA-DZIBYMRMSA-N 1 3 343.515 3.296 20 30 EGEDHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000278760374 266406516 /nfs/dbraw/zinc/40/65/16/266406516.db2.gz OOBOBLZGTSVLJF-PXNSSMCTSA-N 1 3 327.472 3.100 20 30 EGEDHO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185705027 267181462 /nfs/dbraw/zinc/18/14/62/267181462.db2.gz XCDUSJDHLRJIGJ-WMZOPIPTSA-N 1 3 327.472 3.180 20 30 EGEDHO N#Cc1csc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177696059 323344271 /nfs/dbraw/zinc/34/42/71/323344271.db2.gz QVYDMCOCEMTLEQ-KRWDZBQOSA-N 1 3 325.481 3.274 20 30 EGEDHO COc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1OCCCC#N ZINC000093089243 454680385 /nfs/dbraw/zinc/68/03/85/454680385.db2.gz MOQUUEJRXZFJRH-UHFFFAOYSA-N 1 3 345.487 3.151 20 30 EGEDHO COc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1OCCCC#N ZINC000093089243 454680388 /nfs/dbraw/zinc/68/03/88/454680388.db2.gz MOQUUEJRXZFJRH-UHFFFAOYSA-N 1 3 345.487 3.151 20 30 EGEDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186316136 455740988 /nfs/dbraw/zinc/74/09/88/455740988.db2.gz ODANCMFMOYAUQV-UHFFFAOYSA-N 1 3 343.515 3.437 20 30 EGEDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186316136 455740990 /nfs/dbraw/zinc/74/09/90/455740990.db2.gz ODANCMFMOYAUQV-UHFFFAOYSA-N 1 3 343.515 3.437 20 30 EGEDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000278639270 455842795 /nfs/dbraw/zinc/84/27/95/455842795.db2.gz HKEJBUCRVTYPBO-FCHUYYIVSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000278639270 455842801 /nfs/dbraw/zinc/84/28/01/455842801.db2.gz HKEJBUCRVTYPBO-FCHUYYIVSA-N 1 3 349.478 3.366 20 30 EGEDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278791614 455848521 /nfs/dbraw/zinc/84/85/21/455848521.db2.gz QLPKJGBHCDYPOK-HLIPFELVSA-N 1 3 329.488 3.488 20 30 EGEDHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868670 457394309 /nfs/dbraw/zinc/39/43/09/457394309.db2.gz AFMKSWHIABQMRX-DYESRHJHSA-N 1 3 341.499 3.416 20 30 EGEDHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868670 457394316 /nfs/dbraw/zinc/39/43/16/457394316.db2.gz AFMKSWHIABQMRX-DYESRHJHSA-N 1 3 341.499 3.416 20 30 EGEDHO N#CC(CCc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000433364579 457820949 /nfs/dbraw/zinc/82/09/49/457820949.db2.gz NRTXVQVJIVBANK-WOJBJXKFSA-N 1 3 339.483 3.093 20 30 EGEDHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000442718311 459025097 /nfs/dbraw/zinc/02/50/97/459025097.db2.gz LGDSOEJQNBUENF-FUHWJXTLSA-N 1 3 345.487 3.198 20 30 EGEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000486789867 459521166 /nfs/dbraw/zinc/52/11/66/459521166.db2.gz DDZKHTIYFCTGTH-LJQANCHMSA-N 1 3 343.515 3.420 20 30 EGEDHO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN(C)C ZINC000491542389 459636338 /nfs/dbraw/zinc/63/63/38/459636338.db2.gz DBYIDXBJZWPDPQ-QGZVFWFLSA-N 1 3 337.467 3.425 20 30 EGEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612858 459963359 /nfs/dbraw/zinc/96/33/59/459963359.db2.gz CFYMXXOGVXPGTP-IAGOWNOFSA-N 1 3 349.544 3.111 20 30 EGEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612858 459963363 /nfs/dbraw/zinc/96/33/63/459963363.db2.gz CFYMXXOGVXPGTP-IAGOWNOFSA-N 1 3 349.544 3.111 20 30 EGEDHO N#Cc1cccnc1OC1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000575980135 460044753 /nfs/dbraw/zinc/04/47/53/460044753.db2.gz VANZKYQWIHYLEJ-PNGKTBNWSA-N 1 3 348.450 3.378 20 30 EGEDHO COc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000742367085 576774208 /nfs/dbraw/zinc/77/42/08/576774208.db2.gz JLHRSTJOVNOSPP-IRXDYDNUSA-N 1 3 329.488 3.415 20 30 EGEDHO C=CCc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000246257616 1296344219 /nfs/dbraw/zinc/34/42/19/1296344219.db2.gz GYXJSECJEFNLHI-WMZOPIPTSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000246257616 1296344236 /nfs/dbraw/zinc/34/42/36/1296344236.db2.gz GYXJSECJEFNLHI-WMZOPIPTSA-N 1 3 330.472 3.045 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246980779 1296379290 /nfs/dbraw/zinc/37/92/90/1296379290.db2.gz JQIOASXFAZAKQR-PXNSSMCTSA-N 1 3 344.499 3.436 20 30 EGEDHO C=CCc1cc(OCC)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246980779 1296379306 /nfs/dbraw/zinc/37/93/06/1296379306.db2.gz JQIOASXFAZAKQR-PXNSSMCTSA-N 1 3 344.499 3.436 20 30 EGEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000303891287 1296870094 /nfs/dbraw/zinc/87/00/94/1296870094.db2.gz MYXKNDBMFQXSLS-HOTGVXAUSA-N 1 3 332.492 3.463 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257647 1324065105 /nfs/dbraw/zinc/06/51/05/1324065105.db2.gz FMNXYNYZIBCPEB-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025257647 1324065107 /nfs/dbraw/zinc/06/51/07/1324065107.db2.gz FMNXYNYZIBCPEB-RBUKOAKNSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289252 1324112912 /nfs/dbraw/zinc/11/29/12/1324112912.db2.gz PAGCHMZUSPKWPP-IRXDYDNUSA-N 1 3 344.503 3.109 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289252 1324112916 /nfs/dbraw/zinc/11/29/16/1324112916.db2.gz PAGCHMZUSPKWPP-IRXDYDNUSA-N 1 3 344.503 3.109 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031332 1332481938 /nfs/dbraw/zinc/48/19/38/1332481938.db2.gz ZVKAMCITCVZWSK-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031332 1332481939 /nfs/dbraw/zinc/48/19/39/1332481939.db2.gz ZVKAMCITCVZWSK-FXAWDEMLSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC001006444023 1336507496 /nfs/dbraw/zinc/50/74/96/1336507496.db2.gz PKNUGBJIQDHVPO-UHFFFAOYSA-N 1 3 343.515 3.251 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016862322 1338751550 /nfs/dbraw/zinc/75/15/50/1338751550.db2.gz WCVQHPZXKZYWLH-RBUKOAKNSA-N 1 3 347.547 3.188 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037981732 1344218435 /nfs/dbraw/zinc/21/84/35/1344218435.db2.gz GVOLFQCSUUHUFS-PXNSSMCTSA-N 1 3 343.515 3.155 20 30 EGEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664477 1347963641 /nfs/dbraw/zinc/96/36/41/1347963641.db2.gz QLEMOFGWESTVGS-AQNXPRMDSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664477 1347963643 /nfs/dbraw/zinc/96/36/43/1347963643.db2.gz QLEMOFGWESTVGS-AQNXPRMDSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049765849 1348009195 /nfs/dbraw/zinc/00/91/95/1348009195.db2.gz IGUPLQHGABPSAG-ZCNNSNEGSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049765849 1348009197 /nfs/dbraw/zinc/00/91/97/1348009197.db2.gz IGUPLQHGABPSAG-ZCNNSNEGSA-N 1 3 347.547 3.281 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781901 1358756901 /nfs/dbraw/zinc/75/69/01/1358756901.db2.gz HWILRNMKRXXKRD-UXHICEINSA-N 1 3 347.547 3.282 20 30 EGEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781901 1358756903 /nfs/dbraw/zinc/75/69/03/1358756903.db2.gz HWILRNMKRXXKRD-UXHICEINSA-N 1 3 347.547 3.282 20 30 EGEDHO C=CCCCCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681539 1364216614 /nfs/dbraw/zinc/21/66/14/1364216614.db2.gz MRKRCBYXTIIALN-UHFFFAOYSA-N 1 3 337.552 3.195 20 30 EGEDHO CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364421 1364528769 /nfs/dbraw/zinc/52/87/69/1364528769.db2.gz SUUXQFHOZJHCAI-ZVDOUQERSA-N 1 3 349.563 3.079 20 30 EGEDHO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364421 1364528773 /nfs/dbraw/zinc/52/87/73/1364528773.db2.gz SUUXQFHOZJHCAI-ZVDOUQERSA-N 1 3 349.563 3.079 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001101551617 1364614480 /nfs/dbraw/zinc/61/44/80/1364614480.db2.gz SVKONLKMROZJIT-UHFFFAOYSA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001101574996 1364628863 /nfs/dbraw/zinc/62/88/63/1364628863.db2.gz OTLWBLHKMLJVRK-UHFFFAOYSA-N 1 3 349.563 3.149 20 30 EGEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185749218 1387788948 /nfs/dbraw/zinc/78/89/48/1387788948.db2.gz AWVLLHZWAPFINA-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809546 1366183425 /nfs/dbraw/zinc/18/34/25/1366183425.db2.gz KPJTZFWJYCIVJT-RTBURBONSA-N 1 3 337.552 3.149 20 30 EGEDHO C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105578514 1366542237 /nfs/dbraw/zinc/54/22/37/1366542237.db2.gz BUYSXBAIVBXBQY-IBGZPJMESA-N 1 3 349.563 3.434 20 30 EGEDHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(C#N)cc1 ZINC001324924227 1387826052 /nfs/dbraw/zinc/82/60/52/1387826052.db2.gz MQTKCIQGUTYBQR-SFHVURJKSA-N 1 3 348.494 3.156 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552889 1367039752 /nfs/dbraw/zinc/03/97/52/1367039752.db2.gz WFRCKOHUSAZBRX-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552889 1367039762 /nfs/dbraw/zinc/03/97/62/1367039762.db2.gz WFRCKOHUSAZBRX-WIYYLYMNSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001109957847 1367426400 /nfs/dbraw/zinc/42/64/00/1367426400.db2.gz SIYARZYVBAWWNG-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001109957847 1367426405 /nfs/dbraw/zinc/42/64/05/1367426405.db2.gz SIYARZYVBAWWNG-FUMNGEBKSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001109957848 1367426660 /nfs/dbraw/zinc/42/66/60/1367426660.db2.gz SIYARZYVBAWWNG-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001109957848 1367426662 /nfs/dbraw/zinc/42/66/62/1367426662.db2.gz SIYARZYVBAWWNG-FYQPLNBISA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108688132 1367533972 /nfs/dbraw/zinc/53/39/72/1367533972.db2.gz RMRSMONDJLTHGS-FHWLQOOXSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830718 1367624748 /nfs/dbraw/zinc/62/47/48/1367624748.db2.gz VJOGABFMRAHCIL-FHWLQOOXSA-N 1 3 337.552 3.266 20 30 EGEDHO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192196236 1367712758 /nfs/dbraw/zinc/71/27/58/1367712758.db2.gz HYCKLYFJKASTRE-QZTJIDSGSA-N 1 3 325.541 3.076 20 30 EGEDHO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192196236 1367712762 /nfs/dbraw/zinc/71/27/62/1367712762.db2.gz HYCKLYFJKASTRE-QZTJIDSGSA-N 1 3 325.541 3.076 20 30 EGEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268878 1368235818 /nfs/dbraw/zinc/23/58/18/1368235818.db2.gz GJIJKDQJONVROL-QRVBRYPASA-N 1 3 335.536 3.186 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388069 1368603784 /nfs/dbraw/zinc/60/37/84/1368603784.db2.gz ASOYPYJFJMGPBD-HXUWFJFHSA-N 1 3 349.563 3.388 20 30 EGEDHO C=CCCCCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388069 1368603787 /nfs/dbraw/zinc/60/37/87/1368603787.db2.gz ASOYPYJFJMGPBD-HXUWFJFHSA-N 1 3 349.563 3.388 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186606000 1387985652 /nfs/dbraw/zinc/98/56/52/1387985652.db2.gz YOIUUWLFFJOLCE-LJQANCHMSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001186606000 1387985656 /nfs/dbraw/zinc/98/56/56/1387985656.db2.gz YOIUUWLFFJOLCE-LJQANCHMSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563120 1370563244 /nfs/dbraw/zinc/56/32/44/1370563244.db2.gz QDPWGPXPJZXWKK-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563120 1370563248 /nfs/dbraw/zinc/56/32/48/1370563248.db2.gz QDPWGPXPJZXWKK-INIZCTEOSA-N 1 3 341.927 3.022 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469729 1370765169 /nfs/dbraw/zinc/76/51/69/1370765169.db2.gz VLCNJMZQXVGUKN-UHFFFAOYSA-N 1 3 337.552 3.269 20 30 EGEDHO C=CCC[C@@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001120733455 1371732569 /nfs/dbraw/zinc/73/25/69/1371732569.db2.gz ODDKTHPJPIAALP-HXUWFJFHSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCCCCC)C2)C1 ZINC001121919613 1372122945 /nfs/dbraw/zinc/12/29/45/1372122945.db2.gz XGCAJBHAWOHHMK-UHFFFAOYSA-N 1 3 349.563 3.482 20 30 EGEDHO C#C[C@@H](CCC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160709 1375400144 /nfs/dbraw/zinc/40/01/44/1375400144.db2.gz LBXGVWHTFZKPMQ-FQEVSTJZSA-N 1 3 345.531 3.052 20 30 EGEDHO C=CCn1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139771816 1377949084 /nfs/dbraw/zinc/94/90/84/1377949084.db2.gz QABYORHXXNORGZ-UHFFFAOYSA-N 1 3 340.471 3.150 20 30 EGEDHO C=CCn1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139771816 1377949089 /nfs/dbraw/zinc/94/90/89/1377949089.db2.gz QABYORHXXNORGZ-UHFFFAOYSA-N 1 3 340.471 3.150 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219686 1382347092 /nfs/dbraw/zinc/34/70/92/1382347092.db2.gz KTRZBGONODJGBT-SFHVURJKSA-N 1 3 349.563 3.457 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001161219686 1382347096 /nfs/dbraw/zinc/34/70/96/1382347096.db2.gz KTRZBGONODJGBT-SFHVURJKSA-N 1 3 349.563 3.457 20 30 EGEDHO CCCCCCC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464609 1383299039 /nfs/dbraw/zinc/29/90/39/1383299039.db2.gz HZIXKCUVVLIHLV-UHFFFAOYSA-N 1 3 337.552 3.317 20 30 EGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769964 1384382921 /nfs/dbraw/zinc/38/29/21/1384382921.db2.gz RABXCPYBAUJEDW-GOSISDBHSA-N 1 3 337.552 3.482 20 30 EGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001171194200 1384465247 /nfs/dbraw/zinc/46/52/47/1384465247.db2.gz HMEPFYHNMCSAST-SFHVURJKSA-N 1 3 348.494 3.386 20 30 EGEDHO COc1ccc(C2([NH3+])CCN(C3CCC(CC#N)CC3)CC2)cc1 ZINC001173334751 1384960955 /nfs/dbraw/zinc/96/09/55/1384960955.db2.gz WTICJQMNKLXCHI-UHFFFAOYSA-N 1 3 327.472 3.417 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175318240 1385251622 /nfs/dbraw/zinc/25/16/22/1385251622.db2.gz XKCOBJFTYXZEAB-ROUUACIJSA-N 1 3 325.541 3.338 20 30 EGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179589823 1386525336 /nfs/dbraw/zinc/52/53/36/1386525336.db2.gz CDKHBAFWGWFKCX-LJQANCHMSA-N 1 3 341.515 3.041 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749109 1386571154 /nfs/dbraw/zinc/57/11/54/1386571154.db2.gz XWDFLUJNZROANO-FHWLQOOXSA-N 1 3 337.552 3.432 20 30 EGEDHO CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001752432305 1440178830 /nfs/dbraw/zinc/17/88/30/1440178830.db2.gz SVGPNIJKKWGUMY-SFHVURJKSA-N 1 3 346.519 3.202 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001752542624 1440194697 /nfs/dbraw/zinc/19/46/97/1440194697.db2.gz NYXPDFDRGIUFLA-ZGXWSNOMSA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752542624 1440194698 /nfs/dbraw/zinc/19/46/98/1440194698.db2.gz NYXPDFDRGIUFLA-ZGXWSNOMSA-N 1 3 347.547 3.138 20 30 EGEDHO C=C(Cl)CNCC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001753509495 1440425407 /nfs/dbraw/zinc/42/54/07/1440425407.db2.gz WSQCIOLKPOIIJI-MRXNPFEDSA-N 1 3 341.927 3.022 20 30 EGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000539086295 314295274 /nfs/dbraw/zinc/29/52/74/314295274.db2.gz GFYTUAWUOPRKSK-XMSQKQJNSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000539086295 314295277 /nfs/dbraw/zinc/29/52/77/314295277.db2.gz GFYTUAWUOPRKSK-XMSQKQJNSA-N 1 3 349.478 3.437 20 30 EGEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000566909053 316543764 /nfs/dbraw/zinc/54/37/64/316543764.db2.gz LFXORJGKGOFCNB-HJZRJOMTSA-N 1 3 327.472 3.226 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249591 455471923 /nfs/dbraw/zinc/47/19/23/455471923.db2.gz CWTDPCGKCOMKRH-VGOFRKELSA-N 1 3 349.478 3.366 20 30 EGEDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249591 455471928 /nfs/dbraw/zinc/47/19/28/455471928.db2.gz CWTDPCGKCOMKRH-VGOFRKELSA-N 1 3 349.478 3.366 20 30 EGEDHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OCCCC#N ZINC000294985175 455834363 /nfs/dbraw/zinc/83/43/63/455834363.db2.gz KDZCARIUXBTYJM-AYHJJNSGSA-N 1 3 343.471 3.093 20 30 EGEDHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000278760382 455847438 /nfs/dbraw/zinc/84/74/38/455847438.db2.gz OOBOBLZGTSVLJF-YLJYHZDGSA-N 1 3 327.472 3.100 20 30 EGEDHO CC(C)(C)[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331196652 457145712 /nfs/dbraw/zinc/14/57/12/457145712.db2.gz NUPBKXUXQVSRBA-KRWDZBQOSA-N 1 3 327.472 3.138 20 30 EGEDHO CCC[NH+]1CCC(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433305826 457806204 /nfs/dbraw/zinc/80/62/04/457806204.db2.gz QKVMJBWDUIBSAV-SFHVURJKSA-N 1 3 327.472 3.092 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000436289611 458284806 /nfs/dbraw/zinc/28/48/06/458284806.db2.gz XSMPSKYKVYMBJO-BDHVOXNPSA-N 1 3 340.511 3.468 20 30 EGEDHO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCNC1 ZINC000562960621 459680700 /nfs/dbraw/zinc/68/07/00/459680700.db2.gz RQKMHFQDACJCLX-XMZVIZOASA-N 1 3 327.472 3.226 20 30 EGEDHO CN(c1ccccc1CN1CCC[C@H](CC#N)C1)C1CC[NH+](C)CC1 ZINC000597172702 459861962 /nfs/dbraw/zinc/86/19/62/459861962.db2.gz DCENOOYZDGADNH-GOSISDBHSA-N 1 3 340.515 3.343 20 30 EGEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701398 459999895 /nfs/dbraw/zinc/99/98/95/459999895.db2.gz USVYKEDLDYQLJJ-PXNSSMCTSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701398 459999904 /nfs/dbraw/zinc/99/99/04/459999904.db2.gz USVYKEDLDYQLJJ-PXNSSMCTSA-N 1 3 343.515 3.451 20 30 EGEDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000181541556 533916736 /nfs/dbraw/zinc/91/67/36/533916736.db2.gz KLPOXWAUVNTBLW-SFHVURJKSA-N 1 3 348.494 3.156 20 30 EGEDHO C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262452606 1296633350 /nfs/dbraw/zinc/63/33/50/1296633350.db2.gz KCLNWPDLHAFTJR-CYBMUJFWSA-N 1 3 340.924 3.037 20 30 EGEDHO [NH2+]=C(NCC1CCC1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304749102 1296939003 /nfs/dbraw/zinc/93/90/03/1296939003.db2.gz HMSNICJNOPVIQE-UHFFFAOYSA-N 1 3 348.922 3.256 20 30 EGEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC(C)(C)C ZINC000304826840 1296946462 /nfs/dbraw/zinc/94/64/62/1296946462.db2.gz HNUQBBLBIOZTSD-QGZVFWFLSA-N 1 3 346.519 3.061 20 30 EGEDHO C=CCc1cc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952456 1303597707 /nfs/dbraw/zinc/59/77/07/1303597707.db2.gz FCKZTAISUZEVCD-MAUKXSAKSA-N 1 3 332.488 3.252 20 30 EGEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023695614 1319820284 /nfs/dbraw/zinc/82/02/84/1319820284.db2.gz COOZPYMZVWICML-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023695614 1319820289 /nfs/dbraw/zinc/82/02/89/1319820289.db2.gz COOZPYMZVWICML-MOPGFXCFSA-N 1 3 335.536 3.045 20 30 EGEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627617 1324478738 /nfs/dbraw/zinc/47/87/38/1324478738.db2.gz ADHQUIRQZWDUPZ-ROUUACIJSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025627617 1324478742 /nfs/dbraw/zinc/47/87/42/1324478742.db2.gz ADHQUIRQZWDUPZ-ROUUACIJSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360360 1342432229 /nfs/dbraw/zinc/43/22/29/1342432229.db2.gz HWPIFGSKZQAXLI-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360360 1342432230 /nfs/dbraw/zinc/43/22/30/1342432230.db2.gz HWPIFGSKZQAXLI-ICSRJNTNSA-N 1 3 347.547 3.330 20 30 EGEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001034775342 1342752974 /nfs/dbraw/zinc/75/29/74/1342752974.db2.gz LJHVHWBQSGYYBM-GUDVDZBRSA-N 1 3 335.536 3.234 20 30 EGEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001048583415 1347605581 /nfs/dbraw/zinc/60/55/81/1347605581.db2.gz KCMYYGJAXICEFS-YRPNKDGESA-N 1 3 347.547 3.186 20 30 EGEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001048583415 1347605582 /nfs/dbraw/zinc/60/55/82/1347605582.db2.gz KCMYYGJAXICEFS-YRPNKDGESA-N 1 3 347.547 3.186 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072559 1358383452 /nfs/dbraw/zinc/38/34/52/1358383452.db2.gz HAXYDYGIBSRNLG-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072559 1358383454 /nfs/dbraw/zinc/38/34/54/1358383454.db2.gz HAXYDYGIBSRNLG-AQNXPRMDSA-N 1 3 347.547 3.140 20 30 EGEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509319 1360480649 /nfs/dbraw/zinc/48/06/49/1360480649.db2.gz ASOKMGRPTCFCHD-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509319 1360480651 /nfs/dbraw/zinc/48/06/51/1360480651.db2.gz ASOKMGRPTCFCHD-RBUKOAKNSA-N 1 3 349.563 3.432 20 30 EGEDHO C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098822286 1363482841 /nfs/dbraw/zinc/48/28/41/1363482841.db2.gz YHZLJXLGUPULMG-UYAOXDASSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225371 1363701186 /nfs/dbraw/zinc/70/11/86/1363701186.db2.gz SDWATTHTWQPCPH-ZWKOTPCHSA-N 1 3 337.552 3.146 20 30 EGEDHO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225371 1363701188 /nfs/dbraw/zinc/70/11/88/1363701188.db2.gz SDWATTHTWQPCPH-ZWKOTPCHSA-N 1 3 337.552 3.146 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251421 1363713584 /nfs/dbraw/zinc/71/35/84/1363713584.db2.gz JRRXIQHPPRREII-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099251421 1363713587 /nfs/dbraw/zinc/71/35/87/1363713587.db2.gz JRRXIQHPPRREII-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001099251421 1363713590 /nfs/dbraw/zinc/71/35/90/1363713590.db2.gz JRRXIQHPPRREII-RBUKOAKNSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001099348671 1363764820 /nfs/dbraw/zinc/76/48/20/1363764820.db2.gz JXKHQOBMTLYARQ-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001099348671 1363764822 /nfs/dbraw/zinc/76/48/22/1363764822.db2.gz JXKHQOBMTLYARQ-RTBURBONSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101521796 1364596327 /nfs/dbraw/zinc/59/63/27/1364596327.db2.gz BIPMJTXQJKAVMU-IEBWSBKVSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101521795 1364596521 /nfs/dbraw/zinc/59/65/21/1364596521.db2.gz BIPMJTXQJKAVMU-HKUYNNGSSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063713 1366302383 /nfs/dbraw/zinc/30/23/83/1366302383.db2.gz ATBXPMYCNQERCP-QZTJIDSGSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544606 1366521707 /nfs/dbraw/zinc/52/17/07/1366521707.db2.gz OGZUENLPZZNGJJ-MSOLQXFVSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590111 1367215480 /nfs/dbraw/zinc/21/54/80/1367215480.db2.gz SLJXOALWXRCRSL-QYZOEREBSA-N 1 3 347.547 3.329 20 30 EGEDHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590111 1367215483 /nfs/dbraw/zinc/21/54/83/1367215483.db2.gz SLJXOALWXRCRSL-QYZOEREBSA-N 1 3 347.547 3.329 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001196341110 1368592637 /nfs/dbraw/zinc/59/26/37/1368592637.db2.gz MVYILTBQFGUMSS-UHFFFAOYSA-N 1 3 325.541 3.221 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001196341110 1368592640 /nfs/dbraw/zinc/59/26/40/1368592640.db2.gz MVYILTBQFGUMSS-UHFFFAOYSA-N 1 3 325.541 3.221 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112437125 1368852538 /nfs/dbraw/zinc/85/25/38/1368852538.db2.gz YQBSPHQRVDUZAP-LQWHRVPQSA-N 1 3 349.563 3.290 20 30 EGEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112507001 1368906236 /nfs/dbraw/zinc/90/62/36/1368906236.db2.gz RCNVNKKPKKTAQO-RXVVDRJESA-N 1 3 347.547 3.045 20 30 EGEDHO CCCCCCCCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001201840103 1369632459 /nfs/dbraw/zinc/63/24/59/1369632459.db2.gz UCHWDSDMNRQRJQ-UHFFFAOYSA-N 1 3 337.552 3.413 20 30 EGEDHO CCCCCCCCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001201840103 1369632464 /nfs/dbraw/zinc/63/24/64/1369632464.db2.gz UCHWDSDMNRQRJQ-UHFFFAOYSA-N 1 3 337.552 3.413 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202928328 1369928413 /nfs/dbraw/zinc/92/84/13/1369928413.db2.gz FCQDPLGJWLDNGB-ROUUACIJSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930494 1369929134 /nfs/dbraw/zinc/92/91/34/1369929134.db2.gz VURUIHCTPYDCLK-ZWKOTPCHSA-N 1 3 347.547 3.234 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660289 1370206654 /nfs/dbraw/zinc/20/66/54/1370206654.db2.gz PADXCRDKKALVQN-QZTJIDSGSA-N 1 3 346.519 3.248 20 30 EGEDHO C=CCOC(=O)N1CCC2(CCCN(CC[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843592 1370588800 /nfs/dbraw/zinc/58/88/00/1370588800.db2.gz QSSSPERWXXSZKT-SFHVURJKSA-N 1 3 349.519 3.019 20 30 EGEDHO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCCC1 ZINC001115661982 1370646703 /nfs/dbraw/zinc/64/67/03/1370646703.db2.gz XWEULNKOJCQSRK-UHFFFAOYSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001208575519 1371824709 /nfs/dbraw/zinc/82/47/09/1371824709.db2.gz PWBAOXUWFDTEIG-GUDVDZBRSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001208575519 1371824712 /nfs/dbraw/zinc/82/47/12/1371824712.db2.gz PWBAOXUWFDTEIG-GUDVDZBRSA-N 1 3 337.552 3.290 20 30 EGEDHO C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121767329 1372074657 /nfs/dbraw/zinc/07/46/57/1372074657.db2.gz BFJGJQNSUDPODJ-GGQJKKPXSA-N 1 3 347.547 3.234 20 30 EGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241680 1372510023 /nfs/dbraw/zinc/51/00/23/1372510023.db2.gz WJDIMWAVPRNHGO-XLIONFOSSA-N 1 3 343.515 3.297 20 30 EGEDHO F[C@H]1CNCC[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217794768 1373501542 /nfs/dbraw/zinc/50/15/42/1373501542.db2.gz NYUACXSYOSZXST-RBUKOAKNSA-N 1 3 332.464 3.440 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892893 1375628957 /nfs/dbraw/zinc/62/89/57/1375628957.db2.gz JXFPARIXNNDHMS-OALUTQOASA-N 1 3 349.563 3.291 20 30 EGEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133276011 1375890230 /nfs/dbraw/zinc/89/02/30/1375890230.db2.gz YVAZZZXWAFASSJ-RTBURBONSA-N 1 3 339.568 3.373 20 30 EGEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135690243 1377184549 /nfs/dbraw/zinc/18/45/49/1377184549.db2.gz GJKHGXWZJBXVDP-QZTJIDSGSA-N 1 3 325.541 3.338 20 30 EGEDHO N#Cc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001140545414 1378082609 /nfs/dbraw/zinc/08/26/09/1378082609.db2.gz DBELEBFWYVZYIP-UHFFFAOYSA-N 1 3 332.451 3.051 20 30 EGEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148386693 1379161411 /nfs/dbraw/zinc/16/14/11/1379161411.db2.gz ZHWVZLRZBIIWPV-OALUTQOASA-N 1 3 347.547 3.138 20 30 EGEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148386693 1379161412 /nfs/dbraw/zinc/16/14/12/1379161412.db2.gz ZHWVZLRZBIIWPV-OALUTQOASA-N 1 3 347.547 3.138 20 30 EGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155238010 1380428107 /nfs/dbraw/zinc/42/81/07/1380428107.db2.gz UMDUKQYNQQTHEJ-ZWKOTPCHSA-N 1 3 325.541 3.125 20 30 EGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155238010 1380428108 /nfs/dbraw/zinc/42/81/08/1380428108.db2.gz UMDUKQYNQQTHEJ-ZWKOTPCHSA-N 1 3 325.541 3.125 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171585660 1384572503 /nfs/dbraw/zinc/57/25/03/1384572503.db2.gz ADFATMSXYDTUPD-DLBZAZTESA-N 1 3 325.541 3.336 20 30 EGEDHO C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175786208 1385405748 /nfs/dbraw/zinc/40/57/48/1385405748.db2.gz INEYDXIOJARSHK-GOSISDBHSA-N 1 3 325.541 3.339 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178760188 1386296185 /nfs/dbraw/zinc/29/61/85/1386296185.db2.gz YNHNDUMFOXWOAE-MSOLQXFVSA-N 1 3 325.541 3.194 20 30 EGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180372910 1386777458 /nfs/dbraw/zinc/77/74/58/1386777458.db2.gz NFQXNUWIDULKII-OALUTQOASA-N 1 3 337.552 3.482 20 30 EGEDHO C=C(Cl)CNCC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001732235448 1428481576 /nfs/dbraw/zinc/48/15/76/1428481576.db2.gz JROKJHRUWKEKNZ-UHFFFAOYSA-N 1 3 349.906 3.133 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752538177 1440194304 /nfs/dbraw/zinc/19/43/04/1440194304.db2.gz FDURBYGZNITUGB-HAGHYFMRSA-N 1 3 347.547 3.137 20 30 EGEDHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752538177 1440194305 /nfs/dbraw/zinc/19/43/05/1440194305.db2.gz FDURBYGZNITUGB-HAGHYFMRSA-N 1 3 347.547 3.137 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835102 1440227374 /nfs/dbraw/zinc/22/73/74/1440227374.db2.gz BETFXRHMQGFDHE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001752835102 1440227375 /nfs/dbraw/zinc/22/73/75/1440227375.db2.gz BETFXRHMQGFDHE-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753426238 1440396831 /nfs/dbraw/zinc/39/68/31/1440396831.db2.gz RUJZIYFYIPJMAU-PMACEKPBSA-N 1 3 349.563 3.362 20 30 EGEDHO C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001754712767 1440670614 /nfs/dbraw/zinc/67/06/14/1440670614.db2.gz MZFCFSUPIABFIM-NRFANRHFSA-N 1 3 343.515 3.156 20 30 EGEDHO C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001754731725 1440679783 /nfs/dbraw/zinc/67/97/83/1440679783.db2.gz XFLRIEDCNJLKNS-PZJWPPBQSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001754731725 1440679784 /nfs/dbraw/zinc/67/97/84/1440679784.db2.gz XFLRIEDCNJLKNS-PZJWPPBQSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001755460463 1440857240 /nfs/dbraw/zinc/85/72/40/1440857240.db2.gz HVQVRDJWBAHEKJ-OYRHEFFESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001755460463 1440857241 /nfs/dbraw/zinc/85/72/41/1440857241.db2.gz HVQVRDJWBAHEKJ-OYRHEFFESA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001755471007 1440858860 /nfs/dbraw/zinc/85/88/60/1440858860.db2.gz LOOUYIPXPSJRBY-KZNAEPCWSA-N 1 3 335.536 3.090 20 30 EGEDHO C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001755764687 1440915896 /nfs/dbraw/zinc/91/58/96/1440915896.db2.gz XZXRZWNCDSSHAO-ROUUACIJSA-N 1 3 335.536 3.042 20 30 EGEDHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000566909055 316543481 /nfs/dbraw/zinc/54/34/81/316543481.db2.gz LFXORJGKGOFCNB-RXQRSOPUSA-N 1 3 327.472 3.226 20 30 EGEDHO C=C(C)COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1OC ZINC000093089376 454679842 /nfs/dbraw/zinc/67/98/42/454679842.db2.gz NUPXHQRBTAKVCU-UHFFFAOYSA-N 1 3 332.488 3.424 20 30 EGEDHO C=C(C)COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1OC ZINC000093089376 454679846 /nfs/dbraw/zinc/67/98/46/454679846.db2.gz NUPXHQRBTAKVCU-UHFFFAOYSA-N 1 3 332.488 3.424 20 30 EGEDHO Cc1cc(C)cc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)c1 ZINC000179738714 455072706 /nfs/dbraw/zinc/07/27/06/455072706.db2.gz IRHOURDULTYQCB-UHFFFAOYSA-N 1 3 337.471 3.342 20 30 EGEDHO Cc1ccc(NC(=[NH2+])NCc2ccc(OCCN(C)C)cc2)cc1C ZINC000264077886 455189857 /nfs/dbraw/zinc/18/98/57/455189857.db2.gz HYPBUGCYXXVKJO-UHFFFAOYSA-N 1 3 340.471 3.171 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000280875748 456070260 /nfs/dbraw/zinc/07/02/60/456070260.db2.gz OSDKTFREUXCHKJ-QRFRQXIXSA-N 1 3 332.488 3.259 20 30 EGEDHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289481477 456127556 /nfs/dbraw/zinc/12/75/56/456127556.db2.gz QMWKIIWBFVEEGW-UHFFFAOYSA-N 1 3 333.476 3.151 20 30 EGEDHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289481477 456127564 /nfs/dbraw/zinc/12/75/64/456127564.db2.gz QMWKIIWBFVEEGW-UHFFFAOYSA-N 1 3 333.476 3.151 20 30 EGEDHO N#C[C@H]1CCC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000361467417 457740835 /nfs/dbraw/zinc/74/08/35/457740835.db2.gz UUGMVOVHTJRSCA-RBUKOAKNSA-N 1 3 327.472 3.333 20 30 EGEDHO N#CC1(CCN2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000411301035 457852172 /nfs/dbraw/zinc/85/21/72/457852172.db2.gz NKMRPEIVGVLKNK-UHFFFAOYSA-N 1 3 333.520 3.427 20 30 EGEDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133354 458014777 /nfs/dbraw/zinc/01/47/77/458014777.db2.gz IUAAJHIXWVFONT-AZUAARDMSA-N 1 3 327.472 3.285 20 30 EGEDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133354 458014781 /nfs/dbraw/zinc/01/47/81/458014781.db2.gz IUAAJHIXWVFONT-AZUAARDMSA-N 1 3 327.472 3.285 20 30 EGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000436289616 458284527 /nfs/dbraw/zinc/28/45/27/458284527.db2.gz XSMPSKYKVYMBJO-LMYCIYFBSA-N 1 3 340.511 3.468 20 30 EGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422997638 458429570 /nfs/dbraw/zinc/42/95/70/458429570.db2.gz VCJMTHAEOPPJJN-OTWHNJEPSA-N 1 3 329.513 3.302 20 30 EGEDHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000442778296 459034788 /nfs/dbraw/zinc/03/47/88/459034788.db2.gz JQXOBLBDQQCJPB-RBUKOAKNSA-N 1 3 327.472 3.189 20 30 EGEDHO CCN(CC[NH+]1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000520555208 459071835 /nfs/dbraw/zinc/07/18/35/459071835.db2.gz WUIZTQFMKLEXGW-HXUWFJFHSA-N 1 3 341.499 3.483 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000602511756 459976941 /nfs/dbraw/zinc/97/69/41/459976941.db2.gz KMSICBAYLJSHDI-GOSISDBHSA-N 1 3 329.488 3.197 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@H+](C)Cc1ccccc1 ZINC000602511756 459976938 /nfs/dbraw/zinc/97/69/38/459976938.db2.gz KMSICBAYLJSHDI-GOSISDBHSA-N 1 3 329.488 3.197 20 30 EGEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000602647206 460041759 /nfs/dbraw/zinc/04/17/59/460041759.db2.gz WWBMDQQCYNFUNI-MJGOQNOKSA-N 1 3 333.520 3.472 20 30 EGEDHO N#Cc1cccnc1OC1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000575980137 460045446 /nfs/dbraw/zinc/04/54/46/460045446.db2.gz VANZKYQWIHYLEJ-ZGIUJUBFSA-N 1 3 348.450 3.378 20 30 EGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000657919098 462317644 /nfs/dbraw/zinc/31/76/44/462317644.db2.gz KBHJDFOIAAHMGS-AZUAARDMSA-N 1 3 343.515 3.203 20 30 EGEDHO CCCN1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)CC1 ZINC000183257038 1295106939 /nfs/dbraw/zinc/10/69/39/1295106939.db2.gz XACICGQVSILYPI-SFHVURJKSA-N 1 3 345.487 3.340 20 30 EGEDHO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)c1 ZINC000303897679 1296874995 /nfs/dbraw/zinc/87/49/95/1296874995.db2.gz QTXMAPHPIIEXKS-UHFFFAOYSA-N 1 3 336.483 3.478 20 30 EGEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561607 1317458644 /nfs/dbraw/zinc/45/86/44/1317458644.db2.gz WLRDCHGNUQUGCY-UHFFFAOYSA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310253 1325094242 /nfs/dbraw/zinc/09/42/42/1325094242.db2.gz CVZQVRFSHKRMGW-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963310253 1325094250 /nfs/dbraw/zinc/09/42/50/1325094250.db2.gz CVZQVRFSHKRMGW-AZUAARDMSA-N 1 3 347.547 3.140 20 30 EGEDHO COc1ccc(C(C)=NNc2ccnc(C)c2)cc1C[NH+]1CCCC1 ZINC000863158657 1329530837 /nfs/dbraw/zinc/53/08/37/1329530837.db2.gz KWJVEFGJIPXYBW-UHFFFAOYSA-N 1 3 338.455 3.252 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674928 1336005860 /nfs/dbraw/zinc/00/58/60/1336005860.db2.gz WADVDMZNILIWQG-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674928 1336005863 /nfs/dbraw/zinc/00/58/63/1336005863.db2.gz WADVDMZNILIWQG-XLIONFOSSA-N 1 3 343.515 3.155 20 30 EGEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716920 1343649160 /nfs/dbraw/zinc/64/91/60/1343649160.db2.gz NQWBVFLZRZSMAE-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036716920 1343649163 /nfs/dbraw/zinc/64/91/63/1343649163.db2.gz NQWBVFLZRZSMAE-OALUTQOASA-N 1 3 347.547 3.140 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526540 1347893330 /nfs/dbraw/zinc/89/33/30/1347893330.db2.gz VQQDXNAVRNXZNO-ZCNNSNEGSA-N 1 3 345.531 3.035 20 30 EGEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526540 1347893334 /nfs/dbraw/zinc/89/33/34/1347893334.db2.gz VQQDXNAVRNXZNO-ZCNNSNEGSA-N 1 3 345.531 3.035 20 30 EGEDHO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913516 1348108942 /nfs/dbraw/zinc/10/89/42/1348108942.db2.gz ZFDIYKBPBLBMLS-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913516 1348108943 /nfs/dbraw/zinc/10/89/43/1348108943.db2.gz ZFDIYKBPBLBMLS-PMACEKPBSA-N 1 3 341.499 3.003 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085918988 1358878167 /nfs/dbraw/zinc/87/81/67/1358878167.db2.gz QKQYELVEHPKBIC-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918988 1358878168 /nfs/dbraw/zinc/87/81/68/1358878168.db2.gz QKQYELVEHPKBIC-OALUTQOASA-N 1 3 335.536 3.140 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380559 1360383440 /nfs/dbraw/zinc/38/34/40/1360383440.db2.gz FWTMMINZNKTXEB-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089380559 1360383442 /nfs/dbraw/zinc/38/34/42/1360383442.db2.gz FWTMMINZNKTXEB-ZWKOTPCHSA-N 1 3 335.536 3.042 20 30 EGEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509416 1360480799 /nfs/dbraw/zinc/48/07/99/1360480799.db2.gz BRTHLJJZKWKQJF-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089509416 1360480800 /nfs/dbraw/zinc/48/08/00/1360480800.db2.gz BRTHLJJZKWKQJF-MOPGFXCFSA-N 1 3 349.563 3.432 20 30 EGEDHO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089647766 1360560874 /nfs/dbraw/zinc/56/08/74/1360560874.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089647766 1360560877 /nfs/dbraw/zinc/56/08/77/1360560877.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089647766 1360560880 /nfs/dbraw/zinc/56/08/80/1360560880.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647766 1360560882 /nfs/dbraw/zinc/56/08/82/1360560882.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 1 3 335.536 3.044 20 30 EGEDHO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089648531 1360561432 /nfs/dbraw/zinc/56/14/32/1360561432.db2.gz LYPHJZMGKVBNAP-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001089648531 1360561434 /nfs/dbraw/zinc/56/14/34/1360561434.db2.gz LYPHJZMGKVBNAP-RTBURBONSA-N 1 3 349.563 3.434 20 30 EGEDHO C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184557442 1387491822 /nfs/dbraw/zinc/49/18/22/1387491822.db2.gz XOOGYTLIGZDUEE-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098822285 1363482720 /nfs/dbraw/zinc/48/27/20/1363482720.db2.gz YHZLJXLGUPULMG-QUCCMNQESA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099339318 1363759594 /nfs/dbraw/zinc/75/95/94/1363759594.db2.gz GNRWHIBHHARFFM-SFHVURJKSA-N 1 3 335.536 3.045 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284963 1364498619 /nfs/dbraw/zinc/49/86/19/1364498619.db2.gz IUDCBJFXVMRXAV-NQIIRXRSSA-N 1 3 349.563 3.243 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284963 1364498622 /nfs/dbraw/zinc/49/86/22/1364498622.db2.gz IUDCBJFXVMRXAV-NQIIRXRSSA-N 1 3 349.563 3.243 20 30 EGEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987774 1365328603 /nfs/dbraw/zinc/32/86/03/1365328603.db2.gz QPMBXPWDJMHUNP-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987774 1365328606 /nfs/dbraw/zinc/32/86/06/1365328606.db2.gz QPMBXPWDJMHUNP-RTBURBONSA-N 1 3 349.563 3.291 20 30 EGEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691142 1366131956 /nfs/dbraw/zinc/13/19/56/1366131956.db2.gz KAZNVQJSPOYOLX-QRVBRYPASA-N 1 3 337.552 3.147 20 30 EGEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340366 1366660816 /nfs/dbraw/zinc/66/08/16/1366660816.db2.gz UJSAHKTVYUMTAQ-QZTJIDSGSA-N 1 3 337.552 3.147 20 30 EGEDHO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109465111 1367138664 /nfs/dbraw/zinc/13/86/64/1367138664.db2.gz MKTFBWUTJLWTJD-SQNIBIBYSA-N 1 3 337.552 3.409 20 30 EGEDHO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109465111 1367138669 /nfs/dbraw/zinc/13/86/69/1367138669.db2.gz MKTFBWUTJLWTJD-SQNIBIBYSA-N 1 3 337.552 3.409 20 30 EGEDHO C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703563 1367543268 /nfs/dbraw/zinc/54/32/68/1367543268.db2.gz QTSOBMUJTJITHE-OTWHNJEPSA-N 1 3 347.547 3.186 20 30 EGEDHO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830719 1367624447 /nfs/dbraw/zinc/62/44/47/1367624447.db2.gz VJOGABFMRAHCIL-OTWHNJEPSA-N 1 3 337.552 3.266 20 30 EGEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460520 1368312035 /nfs/dbraw/zinc/31/20/35/1368312035.db2.gz XEXCXHLEGXMGGW-RLLQIKCJSA-N 1 3 341.499 3.050 20 30 EGEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460520 1368312037 /nfs/dbraw/zinc/31/20/37/1368312037.db2.gz XEXCXHLEGXMGGW-RLLQIKCJSA-N 1 3 341.499 3.050 20 30 EGEDHO CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196060034 1368541089 /nfs/dbraw/zinc/54/10/89/1368541089.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC001196060034 1368541092 /nfs/dbraw/zinc/54/10/92/1368541092.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060034 1368541094 /nfs/dbraw/zinc/54/10/94/1368541094.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 1 3 337.552 3.366 20 30 EGEDHO CCCCCCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001196060034 1368541100 /nfs/dbraw/zinc/54/11/00/1368541100.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 1 3 337.552 3.366 20 30 EGEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001197331861 1368790526 /nfs/dbraw/zinc/79/05/26/1368790526.db2.gz PARICMAIFWRLMN-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001197331861 1368790531 /nfs/dbraw/zinc/79/05/31/1368790531.db2.gz PARICMAIFWRLMN-RTBURBONSA-N 1 3 335.536 3.140 20 30 EGEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507590 1370148998 /nfs/dbraw/zinc/14/89/98/1370148998.db2.gz TXGSYYHSSLVGAL-RBUKOAKNSA-N 1 3 349.563 3.482 20 30 EGEDHO C=CCCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCCC1 ZINC001115661968 1370646372 /nfs/dbraw/zinc/64/63/72/1370646372.db2.gz XBQUXVBYHNCNHB-UHFFFAOYSA-N 1 3 335.536 3.236 20 30 EGEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457693 1370761885 /nfs/dbraw/zinc/76/18/85/1370761885.db2.gz LMKVUDDPOWFVHP-UHFFFAOYSA-N 1 3 335.536 3.045 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274308 1371010362 /nfs/dbraw/zinc/01/03/62/1371010362.db2.gz HWKSWOIEXFULSE-SFHVURJKSA-N 1 3 337.552 3.269 20 30 EGEDHO CCCCCCC[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890144 1371209792 /nfs/dbraw/zinc/20/97/92/1371209792.db2.gz AYKMBOQVILVIIE-UHFFFAOYSA-N 1 3 325.541 3.127 20 30 EGEDHO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001207335814 1371364545 /nfs/dbraw/zinc/36/45/45/1371364545.db2.gz ACUPERVLEGJGLF-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001207335814 1371364550 /nfs/dbraw/zinc/36/45/50/1371364550.db2.gz ACUPERVLEGJGLF-QRVBRYPASA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208402161 1371754944 /nfs/dbraw/zinc/75/49/44/1371754944.db2.gz WNUPTYMZWVNTSZ-RLLQIKCJSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208402161 1371754947 /nfs/dbraw/zinc/75/49/47/1371754947.db2.gz WNUPTYMZWVNTSZ-RLLQIKCJSA-N 1 3 347.547 3.186 20 30 EGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211248126 1372511360 /nfs/dbraw/zinc/51/13/60/1372511360.db2.gz DOQAIZRJAYUKJW-HKUYNNGSSA-N 1 3 343.515 3.297 20 30 EGEDHO C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224740113 1375072284 /nfs/dbraw/zinc/07/22/84/1375072284.db2.gz XOPIHDRQQYMXNM-OALUTQOASA-N 1 3 349.563 3.434 20 30 EGEDHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202181 1375205938 /nfs/dbraw/zinc/20/59/38/1375205938.db2.gz DLCPDWXMYJGNAD-QZTJIDSGSA-N 1 3 335.536 3.044 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228932758 1375720324 /nfs/dbraw/zinc/72/03/24/1375720324.db2.gz UZONZGXSOPJDKU-QRVBRYPASA-N 1 3 335.536 3.233 20 30 EGEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133122638 1375787939 /nfs/dbraw/zinc/78/79/39/1375787939.db2.gz SJKBNQXWIDMIPR-ROUUACIJSA-N 1 3 337.552 3.005 20 30 EGEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337540 1375930474 /nfs/dbraw/zinc/93/04/74/1375930474.db2.gz NTJIZJGRGJORRS-XLIONFOSSA-N 1 3 343.515 3.012 20 30 EGEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286864 1375985154 /nfs/dbraw/zinc/98/51/54/1375985154.db2.gz UPYWTVIUAARCPC-VAMGGRTRSA-N 1 3 349.563 3.480 20 30 EGEDHO N#Cc1cccc(O[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235969117 1376924142 /nfs/dbraw/zinc/92/41/42/1376924142.db2.gz OOMPZSQOSGUTPF-QFIPXVFZSA-N 1 3 347.462 3.247 20 30 EGEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291859 1379147003 /nfs/dbraw/zinc/14/70/03/1379147003.db2.gz DLEKFVMOJFGRKE-UHFFFAOYSA-N 1 3 349.563 3.223 20 30 EGEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291859 1379147006 /nfs/dbraw/zinc/14/70/06/1379147006.db2.gz DLEKFVMOJFGRKE-UHFFFAOYSA-N 1 3 349.563 3.223 20 30 EGEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158786778 1381398642 /nfs/dbraw/zinc/39/86/42/1381398642.db2.gz GMXZDKOYAXKLRV-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158786778 1381398648 /nfs/dbraw/zinc/39/86/48/1381398648.db2.gz GMXZDKOYAXKLRV-LJQANCHMSA-N 1 3 337.552 3.388 20 30 EGEDHO N#Cc1ccccc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168387699 1383891372 /nfs/dbraw/zinc/89/13/72/1383891372.db2.gz QHXFOJOAZUOTQB-UHFFFAOYSA-N 1 3 339.483 3.276 20 30 EGEDHO COc1ccc(C2(N)CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305466 1384764349 /nfs/dbraw/zinc/76/43/49/1384764349.db2.gz SOLIXVLOKLUFHX-KRWDZBQOSA-N 1 3 349.478 3.448 20 30 EGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263472 1385233637 /nfs/dbraw/zinc/23/36/37/1385233637.db2.gz QAZMAZFIPFWWDX-LPHOPBHVSA-N 1 3 341.515 3.040 20 30 EGEDHO C=CCCCCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948396 1385752895 /nfs/dbraw/zinc/75/28/95/1385752895.db2.gz VCVYORWWDGIRTR-UHFFFAOYSA-N 1 3 331.504 3.204 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1CCC ZINC001177335605 1385917401 /nfs/dbraw/zinc/91/74/01/1385917401.db2.gz HPVANRRDMOGQOS-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001177488783 1385975948 /nfs/dbraw/zinc/97/59/48/1385975948.db2.gz MMZHSWOOBPAGHM-FQEVSTJZSA-N 1 3 349.563 3.435 20 30 EGEDHO C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001753602626 1440446992 /nfs/dbraw/zinc/44/69/92/1440446992.db2.gz VFWHWDSOMJEYEN-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001753602626 1440446993 /nfs/dbraw/zinc/44/69/93/1440446993.db2.gz VFWHWDSOMJEYEN-IBGZPJMESA-N 1 3 347.547 3.142 20 30 EGEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001753746409 1440481033 /nfs/dbraw/zinc/48/10/33/1440481033.db2.gz VFOAFSLHWJRLCD-LJQANCHMSA-N 1 3 349.563 3.482 20 30 EGEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001753748708 1440481860 /nfs/dbraw/zinc/48/18/60/1440481860.db2.gz UGNNDIKRAOUBGB-QUCCMNQESA-N 1 3 349.563 3.482 20 30 EGEDHO