smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438300418 1090780456 /nfs/dbraw/zinc/78/04/56/1090780456.db2.gz PFFVLZYNWCXROA-XOKHGSTOSA-N 2 1 346.450 2.022 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001448526688 1093557819 /nfs/dbraw/zinc/55/78/19/1093557819.db2.gz YLTDWHZLFYKPHW-CKEIUWERSA-N 2 1 345.890 2.436 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001440927117 1094180454 /nfs/dbraw/zinc/18/04/54/1094180454.db2.gz VQZKACHBXUBXSH-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001440927117 1094180458 /nfs/dbraw/zinc/18/04/58/1094180458.db2.gz VQZKACHBXUBXSH-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001440927117 1094180462 /nfs/dbraw/zinc/18/04/62/1094180462.db2.gz VQZKACHBXUBXSH-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001440927117 1094180464 /nfs/dbraw/zinc/18/04/64/1094180464.db2.gz VQZKACHBXUBXSH-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001479667456 1098713812 /nfs/dbraw/zinc/71/38/12/1098713812.db2.gz SLGMVNKWPPPTBU-QYZOEREBSA-N 2 1 349.494 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001479667456 1098713822 /nfs/dbraw/zinc/71/38/22/1098713822.db2.gz SLGMVNKWPPPTBU-QYZOEREBSA-N 2 1 349.494 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001479667456 1098713829 /nfs/dbraw/zinc/71/38/29/1098713829.db2.gz SLGMVNKWPPPTBU-QYZOEREBSA-N 2 1 349.494 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001479667456 1098713836 /nfs/dbraw/zinc/71/38/36/1098713836.db2.gz SLGMVNKWPPPTBU-QYZOEREBSA-N 2 1 349.494 2.004 10 30 EEEEMP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001480187502 1099781029 /nfs/dbraw/zinc/78/10/29/1099781029.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187502 1099781039 /nfs/dbraw/zinc/78/10/39/1099781039.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187502 1099781044 /nfs/dbraw/zinc/78/10/44/1099781044.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001496076814 1102016116 /nfs/dbraw/zinc/01/61/16/1102016116.db2.gz FOOLWIUCTUHYNC-KBRIMQKVSA-N 2 1 337.427 2.022 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969241 1103226924 /nfs/dbraw/zinc/22/69/24/1103226924.db2.gz YKDYNVWSVHHLKH-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969241 1103226935 /nfs/dbraw/zinc/22/69/35/1103226935.db2.gz YKDYNVWSVHHLKH-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493969241 1103226946 /nfs/dbraw/zinc/22/69/46/1103226946.db2.gz YKDYNVWSVHHLKH-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493969241 1103226952 /nfs/dbraw/zinc/22/69/52/1103226952.db2.gz YKDYNVWSVHHLKH-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507027745 1115065433 /nfs/dbraw/zinc/06/54/33/1115065433.db2.gz LFCJLYSBWNXAOF-APWZRJJASA-N 2 1 337.483 2.049 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507035722 1115072354 /nfs/dbraw/zinc/07/23/54/1115072354.db2.gz LDOPKQVEQIZRRJ-RBUKOAKNSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(CC)c1 ZINC001568863856 1124889213 /nfs/dbraw/zinc/88/92/13/1124889213.db2.gz LOWNNNNAVFMRCS-PRPIBZDOSA-N 2 1 339.483 2.109 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(CC)c1 ZINC001568863856 1124889223 /nfs/dbraw/zinc/88/92/23/1124889223.db2.gz LOWNNNNAVFMRCS-PRPIBZDOSA-N 2 1 339.483 2.109 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568919905 1124947386 /nfs/dbraw/zinc/94/73/86/1124947386.db2.gz LAIIQHUJSLLVMA-JFDDCEBESA-N 2 1 331.863 2.213 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569131574 1125116795 /nfs/dbraw/zinc/11/67/95/1125116795.db2.gz TXLNMTPNUKRXIZ-GOSISDBHSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569131574 1125116797 /nfs/dbraw/zinc/11/67/97/1125116797.db2.gz TXLNMTPNUKRXIZ-GOSISDBHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000118951916 279303079 /nfs/dbraw/zinc/30/30/79/279303079.db2.gz CQJGLPZHKJVGTC-GOSISDBHSA-N 2 1 342.487 2.355 10 30 EEEEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329902514 465468728 /nfs/dbraw/zinc/46/87/28/465468728.db2.gz PLLDCOAPHPJJQG-HZPDHXFCSA-N 2 1 333.480 2.070 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329902514 465468734 /nfs/dbraw/zinc/46/87/34/465468734.db2.gz PLLDCOAPHPJJQG-HZPDHXFCSA-N 2 1 333.480 2.070 10 30 EEEEMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366535898 465786903 /nfs/dbraw/zinc/78/69/03/465786903.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 1 346.519 2.333 10 30 EEEEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000610989565 469132784 /nfs/dbraw/zinc/13/27/84/469132784.db2.gz OFXNUVOKBBVRNN-KPFFTGBYSA-N 2 1 345.487 2.154 10 30 EEEEMP C=CC[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000625701630 470170440 /nfs/dbraw/zinc/17/04/40/470170440.db2.gz QSAHYQMLAMFNBA-GOSISDBHSA-N 2 1 349.519 2.036 10 30 EEEEMP C=CC[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000625701630 470170441 /nfs/dbraw/zinc/17/04/41/470170441.db2.gz QSAHYQMLAMFNBA-GOSISDBHSA-N 2 1 349.519 2.036 10 30 EEEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485658973 1191879572 /nfs/dbraw/zinc/87/95/72/1191879572.db2.gz WOCYIQQTMWLLIL-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485658973 1191879573 /nfs/dbraw/zinc/87/95/73/1191879573.db2.gz WOCYIQQTMWLLIL-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001266373844 1176441504 /nfs/dbraw/zinc/44/15/04/1176441504.db2.gz MMIBLPOJYRXGNH-QGZVFWFLSA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266469155 1176596465 /nfs/dbraw/zinc/59/64/65/1176596465.db2.gz GCJLDWOOYNMWAR-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001671487957 1176831936 /nfs/dbraw/zinc/83/19/36/1176831936.db2.gz XJSFMUAWHKTITJ-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266882184 1177696193 /nfs/dbraw/zinc/69/61/93/1177696193.db2.gz DFMVQEAGNKNQQA-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001266906128 1177772545 /nfs/dbraw/zinc/77/25/45/1177772545.db2.gz IIMKGTKGVXLYJM-JEWYTVGHSA-N 2 1 343.515 2.124 10 30 EEEEMP CN(CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480935967 1178901592 /nfs/dbraw/zinc/90/15/92/1178901592.db2.gz VEBAETXSDIGMPJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935967 1178901600 /nfs/dbraw/zinc/90/16/00/1178901600.db2.gz VEBAETXSDIGMPJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935967 1178901607 /nfs/dbraw/zinc/90/16/07/1178901607.db2.gz VEBAETXSDIGMPJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480935967 1178901613 /nfs/dbraw/zinc/90/16/13/1178901613.db2.gz VEBAETXSDIGMPJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480935967 1178901621 /nfs/dbraw/zinc/90/16/21/1178901621.db2.gz VEBAETXSDIGMPJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2ccccc2C)CC1 ZINC001481019593 1179510344 /nfs/dbraw/zinc/51/03/44/1179510344.db2.gz YEPLSTAYDFPWDP-UHFFFAOYSA-N 2 1 341.499 2.278 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267618052 1179952000 /nfs/dbraw/zinc/95/20/00/1179952000.db2.gz ORDOPZRLKJEWTM-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267618052 1179952005 /nfs/dbraw/zinc/95/20/05/1179952005.db2.gz ORDOPZRLKJEWTM-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267618052 1179952009 /nfs/dbraw/zinc/95/20/09/1179952009.db2.gz ORDOPZRLKJEWTM-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001481240968 1180406360 /nfs/dbraw/zinc/40/63/60/1180406360.db2.gz FPTMPPIXNRTSKL-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001481240968 1180406363 /nfs/dbraw/zinc/40/63/63/1180406363.db2.gz FPTMPPIXNRTSKL-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001481334898 1181059913 /nfs/dbraw/zinc/05/99/13/1181059913.db2.gz BECLEYQNZYVSKU-MJGOQNOKSA-N 2 1 333.520 2.348 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001481405622 1181230877 /nfs/dbraw/zinc/23/08/77/1181230877.db2.gz KHVFLEYEIJSZDT-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001481405622 1181230881 /nfs/dbraw/zinc/23/08/81/1181230881.db2.gz KHVFLEYEIJSZDT-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001268039149 1181390893 /nfs/dbraw/zinc/39/08/93/1181390893.db2.gz VRWSEHBQJRLTFU-GOSISDBHSA-N 2 1 331.504 2.435 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C)CC1 ZINC001268259729 1182094923 /nfs/dbraw/zinc/09/49/23/1182094923.db2.gz PXBFOSBEIDMXTI-UHFFFAOYSA-N 2 1 341.499 2.230 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)C)cc1 ZINC001482031106 1183164187 /nfs/dbraw/zinc/16/41/87/1183164187.db2.gz ACVRMFMXNVJXQJ-IBGZPJMESA-N 2 1 325.456 2.066 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)C)cc1 ZINC001482031106 1183164189 /nfs/dbraw/zinc/16/41/89/1183164189.db2.gz ACVRMFMXNVJXQJ-IBGZPJMESA-N 2 1 325.456 2.066 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001268648713 1183577232 /nfs/dbraw/zinc/57/72/32/1183577232.db2.gz SXXXFWJWYIHAFI-GLJUWKHASA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001268648713 1183577236 /nfs/dbraw/zinc/57/72/36/1183577236.db2.gz SXXXFWJWYIHAFI-GLJUWKHASA-N 2 1 349.425 2.218 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl ZINC001268902183 1183800328 /nfs/dbraw/zinc/80/03/28/1183800328.db2.gz HCAASVBNNDINPS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001270478957 1185121422 /nfs/dbraw/zinc/12/14/22/1185121422.db2.gz WKPFQJSVTLYPSD-MAUKXSAKSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001270851368 1185463083 /nfs/dbraw/zinc/46/30/83/1185463083.db2.gz LOLDRYGHWJRUOH-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(Br)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001482537418 1186589309 /nfs/dbraw/zinc/58/93/09/1186589309.db2.gz CHLQGHOKDPOXIA-KGLIPLIRSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482842005 1187760550 /nfs/dbraw/zinc/76/05/50/1187760550.db2.gz RVDDLBSEYPOPAX-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482842005 1187760553 /nfs/dbraw/zinc/76/05/53/1187760553.db2.gz RVDDLBSEYPOPAX-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001670940890 1193530194 /nfs/dbraw/zinc/53/01/94/1193530194.db2.gz XBCOTFDRTZOLAK-AYHJJNSGSA-N 2 1 333.520 2.489 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821857 1193561401 /nfs/dbraw/zinc/56/14/01/1193561401.db2.gz CPFBYONICLBBOB-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001409342227 1189547653 /nfs/dbraw/zinc/54/76/53/1189547653.db2.gz BHSHWJUGFRYNSH-QWHCGFSZSA-N 2 1 348.329 2.356 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001483615921 1190591834 /nfs/dbraw/zinc/59/18/34/1190591834.db2.gz PHLFGPPSULRKCM-ZBFHGGJFSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC(=C)C)CC1 ZINC001483989451 1191144666 /nfs/dbraw/zinc/14/46/66/1191144666.db2.gz KCWUJJSYPVLFMP-HDICACEKSA-N 2 1 331.504 2.362 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001484757799 1191511657 /nfs/dbraw/zinc/51/16/57/1191511657.db2.gz UMPOLHJEUGSVFD-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC001484993931 1191609777 /nfs/dbraw/zinc/60/97/77/1191609777.db2.gz TXKBQILGUNVHST-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC001484993931 1191609778 /nfs/dbraw/zinc/60/97/78/1191609778.db2.gz TXKBQILGUNVHST-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001486182852 1193701494 /nfs/dbraw/zinc/70/14/94/1193701494.db2.gz AEQOXBULHZTBLG-SJLPKXTDSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412398 1193921284 /nfs/dbraw/zinc/92/12/84/1193921284.db2.gz WFLHMIIRGXYHHT-BEFAXECRSA-N 2 1 339.499 2.343 10 30 EEEEMP CC[C@@H](C(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001486515181 1194034315 /nfs/dbraw/zinc/03/43/15/1194034315.db2.gz DHQWSXOHZLQECB-FQEVSTJZSA-N 2 1 339.483 2.127 10 30 EEEEMP CC[C@@H](C(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001486515181 1194034321 /nfs/dbraw/zinc/03/43/21/1194034321.db2.gz DHQWSXOHZLQECB-FQEVSTJZSA-N 2 1 339.483 2.127 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274106049 1204373142 /nfs/dbraw/zinc/37/31/42/1204373142.db2.gz UWWDWELLIVNJBV-PHXNAMCJSA-N 2 1 340.471 2.195 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001491048054 1258607225 /nfs/dbraw/zinc/60/72/25/1258607225.db2.gz OQKHFZRYIYWYBG-QSPRXWTASA-N 2 1 330.476 2.345 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490594681 1291495970 /nfs/dbraw/zinc/49/59/70/1291495970.db2.gz HUBJBNVCDCAEFT-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001277393979 1302823159 /nfs/dbraw/zinc/82/31/59/1302823159.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001277393979 1302823168 /nfs/dbraw/zinc/82/31/68/1302823168.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001277393979 1302823174 /nfs/dbraw/zinc/82/31/74/1302823174.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001278093899 1305921904 /nfs/dbraw/zinc/92/19/04/1305921904.db2.gz CMOGYULHJYONHJ-UHFFFAOYSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001278520392 1317128565 /nfs/dbraw/zinc/12/85/65/1317128565.db2.gz FTPFAHYXPROXJS-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001278520392 1317128567 /nfs/dbraw/zinc/12/85/67/1317128567.db2.gz FTPFAHYXPROXJS-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001278520392 1317128570 /nfs/dbraw/zinc/12/85/70/1317128570.db2.gz FTPFAHYXPROXJS-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001278520392 1317128573 /nfs/dbraw/zinc/12/85/73/1317128573.db2.gz FTPFAHYXPROXJS-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283532 1323033960 /nfs/dbraw/zinc/03/39/60/1323033960.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283532 1323033970 /nfs/dbraw/zinc/03/39/70/1323033970.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283532 1323033975 /nfs/dbraw/zinc/03/39/75/1323033975.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395431 1323124880 /nfs/dbraw/zinc/12/48/80/1323124880.db2.gz XAEPCWQNIAKKFQ-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395431 1323124885 /nfs/dbraw/zinc/12/48/85/1323124885.db2.gz XAEPCWQNIAKKFQ-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265558312 1323219355 /nfs/dbraw/zinc/21/93/55/1323219355.db2.gz UYHZBIFUHWQNKM-DAYGRLMNSA-N 2 1 325.472 2.402 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)CC[NH+]3CCCCC3)cccc2C1 ZINC001280427232 1324219308 /nfs/dbraw/zinc/21/93/08/1324219308.db2.gz WVPVKLMUKOADFN-UHFFFAOYSA-N 2 1 339.483 2.170 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283260185 1325976351 /nfs/dbraw/zinc/97/63/51/1325976351.db2.gz MEYMWEVHWXBREZ-LPHOPBHVSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001316720006 1331861617 /nfs/dbraw/zinc/86/16/17/1331861617.db2.gz CADPPBFQMBQVFF-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001316720006 1331861619 /nfs/dbraw/zinc/86/16/19/1331861619.db2.gz CADPPBFQMBQVFF-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316720006 1331861623 /nfs/dbraw/zinc/86/16/23/1331861623.db2.gz CADPPBFQMBQVFF-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316720006 1331861630 /nfs/dbraw/zinc/86/16/30/1331861630.db2.gz CADPPBFQMBQVFF-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437736 1332241008 /nfs/dbraw/zinc/24/10/08/1332241008.db2.gz XAMYAUCBNMCFBX-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437736 1332241009 /nfs/dbraw/zinc/24/10/09/1332241009.db2.gz XAMYAUCBNMCFBX-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001317437096 1332241016 /nfs/dbraw/zinc/24/10/16/1332241016.db2.gz UATTXRRGIIYBQA-HNNXBMFYSA-N 2 1 348.516 2.432 10 30 EEEEMP C=C(C)CC[N@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317487993 1332261986 /nfs/dbraw/zinc/26/19/86/1332261986.db2.gz JXNNAXBWHLVFQX-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317487993 1332261989 /nfs/dbraw/zinc/26/19/89/1332261989.db2.gz JXNNAXBWHLVFQX-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001317590375 1332312563 /nfs/dbraw/zinc/31/25/63/1332312563.db2.gz OUQQJUXSZXLRNG-YOEHRIQHSA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001317590375 1332312568 /nfs/dbraw/zinc/31/25/68/1332312568.db2.gz OUQQJUXSZXLRNG-YOEHRIQHSA-N 2 1 333.480 2.193 10 30 EEEEMP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001321095576 1333017553 /nfs/dbraw/zinc/01/75/53/1333017553.db2.gz DDDBRJZVRPZILX-HMECNJMJSA-N 2 1 340.471 2.195 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001321095576 1333017560 /nfs/dbraw/zinc/01/75/60/1333017560.db2.gz DDDBRJZVRPZILX-HMECNJMJSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816356 1333546605 /nfs/dbraw/zinc/54/66/05/1333546605.db2.gz OYIZHNPNUZLGBC-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001324936969 1333791383 /nfs/dbraw/zinc/79/13/83/1333791383.db2.gz QWLWTZNJPRUJRT-NQIIRXRSSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936969 1333791385 /nfs/dbraw/zinc/79/13/85/1333791385.db2.gz QWLWTZNJPRUJRT-NQIIRXRSSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936969 1333791388 /nfs/dbraw/zinc/79/13/88/1333791388.db2.gz QWLWTZNJPRUJRT-NQIIRXRSSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001325665118 1333936633 /nfs/dbraw/zinc/93/66/33/1333936633.db2.gz IRDYEXBMXHOMRP-QAQDUYKDSA-N 2 1 330.476 2.152 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001326488857 1334103251 /nfs/dbraw/zinc/10/32/51/1334103251.db2.gz APNPWXSNTACRAU-APWZRJJASA-N 2 1 327.472 2.461 10 30 EEEEMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001326668403 1334138577 /nfs/dbraw/zinc/13/85/77/1334138577.db2.gz UPFVNTAWPHDVGZ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001326668403 1334138580 /nfs/dbraw/zinc/13/85/80/1334138580.db2.gz UPFVNTAWPHDVGZ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCCC1 ZINC001329472909 1334657145 /nfs/dbraw/zinc/65/71/45/1334657145.db2.gz UTXYOJVSEMHWLV-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCCC1 ZINC001329472909 1334657150 /nfs/dbraw/zinc/65/71/50/1334657150.db2.gz UTXYOJVSEMHWLV-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329472909 1334657154 /nfs/dbraw/zinc/65/71/54/1334657154.db2.gz UTXYOJVSEMHWLV-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329472909 1334657158 /nfs/dbraw/zinc/65/71/58/1334657158.db2.gz UTXYOJVSEMHWLV-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001330298328 1334820035 /nfs/dbraw/zinc/82/00/35/1334820035.db2.gz RZKXQKGNSKOADY-LUKYLMHMSA-N 2 1 330.476 2.267 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001330298328 1334820036 /nfs/dbraw/zinc/82/00/36/1334820036.db2.gz RZKXQKGNSKOADY-LUKYLMHMSA-N 2 1 330.476 2.267 10 30 EEEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826212 /nfs/dbraw/zinc/82/62/12/1334826212.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 2 1 337.483 2.069 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826215 /nfs/dbraw/zinc/82/62/15/1334826215.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 2 1 337.483 2.069 10 30 EEEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826218 /nfs/dbraw/zinc/82/62/18/1334826218.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 2 1 337.483 2.069 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108522 1335731273 /nfs/dbraw/zinc/73/12/73/1335731273.db2.gz BSEROYZBCRAMNE-PZJWPPBQSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108522 1335731276 /nfs/dbraw/zinc/73/12/76/1335731276.db2.gz BSEROYZBCRAMNE-PZJWPPBQSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108522 1335731277 /nfs/dbraw/zinc/73/12/77/1335731277.db2.gz BSEROYZBCRAMNE-PZJWPPBQSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108522 1335731280 /nfs/dbraw/zinc/73/12/80/1335731280.db2.gz BSEROYZBCRAMNE-PZJWPPBQSA-N 2 1 341.499 2.460 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001342917826 1337323862 /nfs/dbraw/zinc/32/38/62/1337323862.db2.gz CIODGHUXKPRBET-IAGOWNOFSA-N 2 1 346.523 2.194 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001342917826 1337323865 /nfs/dbraw/zinc/32/38/65/1337323865.db2.gz CIODGHUXKPRBET-IAGOWNOFSA-N 2 1 346.523 2.194 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001342917826 1337323868 /nfs/dbraw/zinc/32/38/68/1337323868.db2.gz CIODGHUXKPRBET-IAGOWNOFSA-N 2 1 346.523 2.194 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001571490536 1343218499 /nfs/dbraw/zinc/21/84/99/1343218499.db2.gz FSTGULUAMBKIEN-QFBILLFUSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001676454282 1357152825 /nfs/dbraw/zinc/15/28/25/1357152825.db2.gz DVELSMIZJSDSJY-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676888998 1357234061 /nfs/dbraw/zinc/23/40/61/1357234061.db2.gz XMNJQNOJCJSLRC-SJLPKXTDSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001620954003 1349878704 /nfs/dbraw/zinc/87/87/04/1349878704.db2.gz FEJBCKZZNQYLFY-UHFFFAOYSA-N 2 1 327.472 2.144 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001620954003 1349878706 /nfs/dbraw/zinc/87/87/06/1349878706.db2.gz FEJBCKZZNQYLFY-UHFFFAOYSA-N 2 1 327.472 2.144 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673844 1354263775 /nfs/dbraw/zinc/26/37/75/1354263775.db2.gz YVAUJKFCEWDADX-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673844 1354263781 /nfs/dbraw/zinc/26/37/81/1354263781.db2.gz YVAUJKFCEWDADX-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931971 /nfs/dbraw/zinc/93/19/71/1354931971.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001666244858 1355493737 /nfs/dbraw/zinc/49/37/37/1355493737.db2.gz KWHGZEVVEIMGEW-QGZVFWFLSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671504117 1356352041 /nfs/dbraw/zinc/35/20/41/1356352041.db2.gz OOSPMDVGTQWPHN-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001671597991 1356370362 /nfs/dbraw/zinc/37/03/62/1356370362.db2.gz FCNYBCOJLSWGMG-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001671597991 1356370364 /nfs/dbraw/zinc/37/03/64/1356370364.db2.gz FCNYBCOJLSWGMG-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001671597991 1356370368 /nfs/dbraw/zinc/37/03/68/1356370368.db2.gz FCNYBCOJLSWGMG-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001672796411 1356585374 /nfs/dbraw/zinc/58/53/74/1356585374.db2.gz OHKMJUAQBLDMGU-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001672796411 1356585376 /nfs/dbraw/zinc/58/53/76/1356585376.db2.gz OHKMJUAQBLDMGU-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236855 780223520 /nfs/dbraw/zinc/22/35/20/780223520.db2.gz BTHQSFNAPUZJRV-GOSISDBHSA-N 2 1 333.520 2.204 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000923494427 789665984 /nfs/dbraw/zinc/66/59/84/789665984.db2.gz XKBOMNPPHCCXOY-RYQLBKOJSA-N 2 1 348.487 2.080 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001566128626 1125578933 /nfs/dbraw/zinc/57/89/33/1125578933.db2.gz XBCNLDGFLJLYAF-OAHLLOKOSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001566128626 1125578943 /nfs/dbraw/zinc/57/89/43/1125578943.db2.gz XBCNLDGFLJLYAF-OAHLLOKOSA-N 2 1 348.516 2.178 10 30 EEEEMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438663351 1091151999 /nfs/dbraw/zinc/15/19/99/1091151999.db2.gz JLSYZABCNLBFCT-GJZGRUSLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001438663354 1091152294 /nfs/dbraw/zinc/15/22/94/1091152294.db2.gz JLSYZABCNLBFCT-LSDHHAIUSA-N 2 1 348.516 2.431 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001439783966 1092740342 /nfs/dbraw/zinc/74/03/42/1092740342.db2.gz ODKBYBKNTBZWJL-CABCVRRESA-N 2 1 336.867 2.087 10 30 EEEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001440353547 1093508745 /nfs/dbraw/zinc/50/87/45/1093508745.db2.gz HJXLCMWPGKXHDA-ZQIUZPCESA-N 2 1 345.890 2.436 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001441311281 1094763779 /nfs/dbraw/zinc/76/37/79/1094763779.db2.gz XRGRJYBNDHTRAG-HOTGVXAUSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001441311281 1094763786 /nfs/dbraw/zinc/76/37/86/1094763786.db2.gz XRGRJYBNDHTRAG-HOTGVXAUSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001441311281 1094763795 /nfs/dbraw/zinc/76/37/95/1094763795.db2.gz XRGRJYBNDHTRAG-HOTGVXAUSA-N 2 1 327.900 2.394 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001441542653 1095263919 /nfs/dbraw/zinc/26/39/19/1095263919.db2.gz CUYBDSKVAAREAY-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001442949452 1097363336 /nfs/dbraw/zinc/36/33/36/1097363336.db2.gz FNRJIBVCJRLYBN-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001442949452 1097363341 /nfs/dbraw/zinc/36/33/41/1097363341.db2.gz FNRJIBVCJRLYBN-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C#N ZINC001442949452 1097363344 /nfs/dbraw/zinc/36/33/44/1097363344.db2.gz FNRJIBVCJRLYBN-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C#N ZINC001442949452 1097363348 /nfs/dbraw/zinc/36/33/48/1097363348.db2.gz FNRJIBVCJRLYBN-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001480403236 1100216894 /nfs/dbraw/zinc/21/68/94/1100216894.db2.gz QEZAUGPIRDGZEG-GTPINHCMSA-N 2 1 330.476 2.437 10 30 EEEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001496600658 1101201794 /nfs/dbraw/zinc/20/17/94/1101201794.db2.gz WWVJCPQHDZOMED-SJLPKXTDSA-N 2 1 332.492 2.451 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001495507051 1101219466 /nfs/dbraw/zinc/21/94/66/1101219466.db2.gz CYKVXNHTROUEMW-CALCHBBNSA-N 2 1 327.472 2.289 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001494215039 1103710626 /nfs/dbraw/zinc/71/06/26/1103710626.db2.gz VJBFZWUCVXBXIL-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001497994036 1106754321 /nfs/dbraw/zinc/75/43/21/1106754321.db2.gz VWLMMWYMIPUPID-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCN1CC#Cc1ccccc1 ZINC001498998711 1108434745 /nfs/dbraw/zinc/43/47/45/1108434745.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477974 1112308033 /nfs/dbraw/zinc/30/80/33/1112308033.db2.gz KXVZQDBYIIHIRA-QZTJIDSGSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500505642 1112897041 /nfs/dbraw/zinc/89/70/41/1112897041.db2.gz USCFMFVUELWUAF-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505642 1112897044 /nfs/dbraw/zinc/89/70/44/1112897044.db2.gz USCFMFVUELWUAF-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505642 1112897046 /nfs/dbraw/zinc/89/70/46/1112897046.db2.gz USCFMFVUELWUAF-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001501718545 1113447796 /nfs/dbraw/zinc/44/77/96/1113447796.db2.gz MXBFFLVVIDOUSO-BZUAXINKSA-N 2 1 327.900 2.345 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855137 1114919271 /nfs/dbraw/zinc/91/92/71/1114919271.db2.gz HIWVGVAYUVGQNR-RCCFBDPRSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855137 1114919273 /nfs/dbraw/zinc/91/92/73/1114919273.db2.gz HIWVGVAYUVGQNR-RCCFBDPRSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855137 1114919276 /nfs/dbraw/zinc/91/92/76/1114919276.db2.gz HIWVGVAYUVGQNR-RCCFBDPRSA-N 2 1 345.531 2.489 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001507363534 1115223618 /nfs/dbraw/zinc/22/36/18/1115223618.db2.gz LXTOHTDLCLUUTC-BZUAXINKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001568000947 1124224183 /nfs/dbraw/zinc/22/41/83/1124224183.db2.gz MCYFJLBCURYVDN-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP CC[NH+]=C(NCC(C1CC1)C1CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000086535991 462577337 /nfs/dbraw/zinc/57/73/37/462577337.db2.gz QNMFDMAYIWVJOF-INIZCTEOSA-N 2 1 348.535 2.042 10 30 EEEEMP CC(C)(CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594440637 468589126 /nfs/dbraw/zinc/58/91/26/468589126.db2.gz HGBKOJXRUYYJNO-SFHVURJKSA-N 2 1 342.487 2.351 10 30 EEEEMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972849 469072362 /nfs/dbraw/zinc/07/23/62/469072362.db2.gz PWCSLABWWOIFDR-QZTJIDSGSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972849 469072368 /nfs/dbraw/zinc/07/23/68/469072368.db2.gz PWCSLABWWOIFDR-QZTJIDSGSA-N 2 1 340.471 2.122 10 30 EEEEMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001266373843 1176441799 /nfs/dbraw/zinc/44/17/99/1176441799.db2.gz MMIBLPOJYRXGNH-KRWDZBQOSA-N 2 1 331.504 2.243 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496154 1181563745 /nfs/dbraw/zinc/56/37/45/1181563745.db2.gz HTNYZFAOWACGEW-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496154 1181563747 /nfs/dbraw/zinc/56/37/47/1181563747.db2.gz HTNYZFAOWACGEW-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366301 1182341760 /nfs/dbraw/zinc/34/17/60/1182341760.db2.gz MMXZXOZJNCUDLS-HBUWYVDXSA-N 2 1 346.450 2.022 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981595 1183075838 /nfs/dbraw/zinc/07/58/38/1183075838.db2.gz SZJXWYNZFXVGBF-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)cc1 ZINC001482031290 1183168542 /nfs/dbraw/zinc/16/85/42/1183168542.db2.gz IJUIEJBFQSUWST-MRXNPFEDSA-N 2 1 338.455 2.436 10 30 EEEEMP C=C(C)C[NH+]1CCC(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001482044222 1183215600 /nfs/dbraw/zinc/21/56/00/1183215600.db2.gz RRXFACJIMGJOAQ-UHFFFAOYSA-N 2 1 334.464 2.144 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630916 1183556439 /nfs/dbraw/zinc/55/64/39/1183556439.db2.gz SMLLBVJYBWPUPS-HMECNJMJSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001269740746 1184573975 /nfs/dbraw/zinc/57/39/75/1184573975.db2.gz IJNXKYIMKKSWSO-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001269740746 1184573980 /nfs/dbraw/zinc/57/39/80/1184573980.db2.gz IJNXKYIMKKSWSO-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270437208 1185099104 /nfs/dbraw/zinc/09/91/04/1185099104.db2.gz XXZPRZKLYGXUSZ-QFBILLFUSA-N 2 1 345.462 2.003 10 30 EEEEMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCCC2)C1 ZINC001270818647 1185419315 /nfs/dbraw/zinc/41/93/15/1185419315.db2.gz ACSQUXASQNBMMM-IBGZPJMESA-N 2 1 339.483 2.008 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001270965773 1185778732 /nfs/dbraw/zinc/77/87/32/1185778732.db2.gz OTCMXLJCNALSMP-ICSRJNTNSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001270965773 1185778734 /nfs/dbraw/zinc/77/87/34/1185778734.db2.gz OTCMXLJCNALSMP-ICSRJNTNSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001270965773 1185778738 /nfs/dbraw/zinc/77/87/38/1185778738.db2.gz OTCMXLJCNALSMP-ICSRJNTNSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001270965773 1185778742 /nfs/dbraw/zinc/77/87/42/1185778742.db2.gz OTCMXLJCNALSMP-ICSRJNTNSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482842104 1187761860 /nfs/dbraw/zinc/76/18/60/1187761860.db2.gz UXWZTULEPSYDAH-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]21 ZINC001272223730 1188380021 /nfs/dbraw/zinc/38/00/21/1188380021.db2.gz JABQHNZVDNCTOG-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821860 1193561379 /nfs/dbraw/zinc/56/13/79/1193561379.db2.gz CPFBYONICLBBOB-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001272917337 1193603307 /nfs/dbraw/zinc/60/33/07/1193603307.db2.gz UAWPIPCIWHPEPJ-INIZCTEOSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[N@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001272917337 1193603309 /nfs/dbraw/zinc/60/33/09/1193603309.db2.gz UAWPIPCIWHPEPJ-INIZCTEOSA-N 2 1 327.472 2.189 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693743 1190202986 /nfs/dbraw/zinc/20/29/86/1190202986.db2.gz RQPQBJBRACTZOX-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693743 1190202990 /nfs/dbraw/zinc/20/29/90/1190202990.db2.gz RQPQBJBRACTZOX-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001409693743 1190202992 /nfs/dbraw/zinc/20/29/92/1190202992.db2.gz RQPQBJBRACTZOX-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001409693743 1190202998 /nfs/dbraw/zinc/20/29/98/1190202998.db2.gz RQPQBJBRACTZOX-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001483349386 1190384407 /nfs/dbraw/zinc/38/44/07/1190384407.db2.gz GRYZTMSXFLPHLS-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001483349386 1190384411 /nfs/dbraw/zinc/38/44/11/1190384411.db2.gz GRYZTMSXFLPHLS-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001483349386 1190384417 /nfs/dbraw/zinc/38/44/17/1190384417.db2.gz GRYZTMSXFLPHLS-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001483349386 1190384423 /nfs/dbraw/zinc/38/44/23/1190384423.db2.gz GRYZTMSXFLPHLS-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001486130504 1193689918 /nfs/dbraw/zinc/68/99/18/1193689918.db2.gz QCEBOYFVTVYSTQ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001272608675 1190917922 /nfs/dbraw/zinc/91/79/22/1190917922.db2.gz SHKLAVWBBYRFPW-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793301 1191033091 /nfs/dbraw/zinc/03/30/91/1191033091.db2.gz ANHTYDXJAKUZRW-IYBDPMFKSA-N 2 1 340.471 2.169 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001483935090 1191123431 /nfs/dbraw/zinc/12/34/31/1191123431.db2.gz SMRFIESDFHEVDL-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001483935090 1191123432 /nfs/dbraw/zinc/12/34/32/1191123432.db2.gz SMRFIESDFHEVDL-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272977044 1194285981 /nfs/dbraw/zinc/28/59/81/1194285981.db2.gz JFFILVDEPRDDSO-BJLQDIEVSA-N 2 1 341.499 2.253 10 30 EEEEMP COc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C#N ZINC000871786210 1197902629 /nfs/dbraw/zinc/90/26/29/1197902629.db2.gz UXQBQVVFBOMJHJ-VHRNVKJDSA-N 2 1 328.416 2.438 10 30 EEEEMP COc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000871786210 1197902636 /nfs/dbraw/zinc/90/26/36/1197902636.db2.gz UXQBQVVFBOMJHJ-VHRNVKJDSA-N 2 1 328.416 2.438 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001411022311 1198706127 /nfs/dbraw/zinc/70/61/27/1198706127.db2.gz QMGXLUCMQFLKRB-SFHVURJKSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001275046475 1205243538 /nfs/dbraw/zinc/24/35/38/1205243538.db2.gz UQQIXODBLJLTPP-LJQANCHMSA-N 2 1 349.478 2.264 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275046475 1205243542 /nfs/dbraw/zinc/24/35/42/1205243542.db2.gz UQQIXODBLJLTPP-LJQANCHMSA-N 2 1 349.478 2.264 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000930576746 1206568267 /nfs/dbraw/zinc/56/82/67/1206568267.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000930576746 1206568268 /nfs/dbraw/zinc/56/82/68/1206568268.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000930576746 1206568269 /nfs/dbraw/zinc/56/82/69/1206568269.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 2 1 325.456 2.414 10 30 EEEEMP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273823982 1286464047 /nfs/dbraw/zinc/46/40/47/1286464047.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001273823982 1286464051 /nfs/dbraw/zinc/46/40/51/1286464051.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001273823982 1286464054 /nfs/dbraw/zinc/46/40/54/1286464054.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 2 1 341.499 2.447 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349861 1290534630 /nfs/dbraw/zinc/53/46/30/1290534630.db2.gz LYIVGNPLRXOZJA-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579954 /nfs/dbraw/zinc/57/99/54/1293579954.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579960 /nfs/dbraw/zinc/57/99/60/1293579960.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579963 /nfs/dbraw/zinc/57/99/63/1293579963.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 2 1 346.475 2.304 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001277786035 1304483834 /nfs/dbraw/zinc/48/38/34/1304483834.db2.gz SBJIXMYLRCWHSU-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001277786035 1304483842 /nfs/dbraw/zinc/48/38/42/1304483842.db2.gz SBJIXMYLRCWHSU-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001278726607 1317882686 /nfs/dbraw/zinc/88/26/86/1317882686.db2.gz YUWBKZKNMOTPMX-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1 ZINC001265073316 1322907360 /nfs/dbraw/zinc/90/73/60/1322907360.db2.gz WZPOJHIOPZYOOQ-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1 ZINC001265073316 1322907363 /nfs/dbraw/zinc/90/73/63/1322907363.db2.gz WZPOJHIOPZYOOQ-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001691748476 1325130570 /nfs/dbraw/zinc/13/05/70/1325130570.db2.gz PREBKXQSVGQRSY-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282680903 1325764258 /nfs/dbraw/zinc/76/42/58/1325764258.db2.gz DCUKTRPYXSYTNW-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC001284640257 1326643543 /nfs/dbraw/zinc/64/35/43/1326643543.db2.gz FSROZRONOGOZKZ-KRWDZBQOSA-N 2 1 339.443 2.025 10 30 EEEEMP C#CC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001284977387 1326806967 /nfs/dbraw/zinc/80/69/67/1326806967.db2.gz HBUVHVKJIWDVPE-IBGZPJMESA-N 2 1 325.456 2.061 10 30 EEEEMP C#CC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001284977387 1326806970 /nfs/dbraw/zinc/80/69/70/1326806970.db2.gz HBUVHVKJIWDVPE-IBGZPJMESA-N 2 1 325.456 2.061 10 30 EEEEMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001284977387 1326806971 /nfs/dbraw/zinc/80/69/71/1326806971.db2.gz HBUVHVKJIWDVPE-IBGZPJMESA-N 2 1 325.456 2.061 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316955110 1332015018 /nfs/dbraw/zinc/01/50/18/1332015018.db2.gz PPMRNEGMGBQADL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316955110 1332015021 /nfs/dbraw/zinc/01/50/21/1332015021.db2.gz PPMRNEGMGBQADL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955110 1332015023 /nfs/dbraw/zinc/01/50/23/1332015023.db2.gz PPMRNEGMGBQADL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955110 1332015025 /nfs/dbraw/zinc/01/50/25/1332015025.db2.gz PPMRNEGMGBQADL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317157493 1332104330 /nfs/dbraw/zinc/10/43/30/1332104330.db2.gz JBXHWSGPKIFJDH-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP CC(C)[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317468385 1332255501 /nfs/dbraw/zinc/25/55/01/1332255501.db2.gz ZODCSPKPRJGVHC-GOSISDBHSA-N 2 1 349.906 2.326 10 30 EEEEMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317468385 1332255503 /nfs/dbraw/zinc/25/55/03/1332255503.db2.gz ZODCSPKPRJGVHC-GOSISDBHSA-N 2 1 349.906 2.326 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC001322177683 1333222646 /nfs/dbraw/zinc/22/26/46/1333222646.db2.gz UZDKPJPPHLHRPF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001322177683 1333222648 /nfs/dbraw/zinc/22/26/48/1333222648.db2.gz UZDKPJPPHLHRPF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(F)c1 ZINC001322177683 1333222651 /nfs/dbraw/zinc/22/26/51/1333222651.db2.gz UZDKPJPPHLHRPF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(F)c1 ZINC001322177683 1333222656 /nfs/dbraw/zinc/22/26/56/1333222656.db2.gz UZDKPJPPHLHRPF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCOCC1 ZINC001325005756 1333806493 /nfs/dbraw/zinc/80/64/93/1333806493.db2.gz RAARJCSVYGWLPY-UHFFFAOYSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001327128350 1334229155 /nfs/dbraw/zinc/22/91/55/1334229155.db2.gz AWCHCSUDBOTHQD-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001327128350 1334229161 /nfs/dbraw/zinc/22/91/61/1334229161.db2.gz AWCHCSUDBOTHQD-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001327128350 1334229165 /nfs/dbraw/zinc/22/91/65/1334229165.db2.gz AWCHCSUDBOTHQD-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808132 1334526178 /nfs/dbraw/zinc/52/61/78/1334526178.db2.gz NPLGFQWNTXESQK-PMACEKPBSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329531759 1334669245 /nfs/dbraw/zinc/66/92/45/1334669245.db2.gz LVWDMBPAIDKORF-OAHLLOKOSA-N 2 1 335.879 2.080 10 30 EEEEMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329531759 1334669248 /nfs/dbraw/zinc/66/92/48/1334669248.db2.gz LVWDMBPAIDKORF-OAHLLOKOSA-N 2 1 335.879 2.080 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331283260 1334990645 /nfs/dbraw/zinc/99/06/45/1334990645.db2.gz OYMPBCXVKILMHP-QUCCMNQESA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC001332400734 1335818182 /nfs/dbraw/zinc/81/81/82/1335818182.db2.gz ZAOBITQAXGNIKP-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001333354557 1336018409 /nfs/dbraw/zinc/01/84/09/1336018409.db2.gz MOVJEROKHJYLLD-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001333354557 1336018415 /nfs/dbraw/zinc/01/84/15/1336018415.db2.gz MOVJEROKHJYLLD-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC(C)C)CC1 ZINC001333354557 1336018422 /nfs/dbraw/zinc/01/84/22/1336018422.db2.gz MOVJEROKHJYLLD-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC(C)C)CC1 ZINC001333354557 1336018426 /nfs/dbraw/zinc/01/84/26/1336018426.db2.gz MOVJEROKHJYLLD-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219864 1343035072 /nfs/dbraw/zinc/03/50/72/1343035072.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001570219864 1343035075 /nfs/dbraw/zinc/03/50/75/1343035075.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001570219864 1343035079 /nfs/dbraw/zinc/03/50/79/1343035079.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001571284819 1343174861 /nfs/dbraw/zinc/17/48/61/1343174861.db2.gz VJZUTFNRPPNJRB-OAHLLOKOSA-N 2 1 339.443 2.138 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821064 1357213766 /nfs/dbraw/zinc/21/37/66/1357213766.db2.gz QLAWQWBXEBLKPX-QUCCMNQESA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821064 1357213771 /nfs/dbraw/zinc/21/37/71/1357213771.db2.gz QLAWQWBXEBLKPX-QUCCMNQESA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821064 1357213774 /nfs/dbraw/zinc/21/37/74/1357213774.db2.gz QLAWQWBXEBLKPX-QUCCMNQESA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821064 1357213779 /nfs/dbraw/zinc/21/37/79/1357213779.db2.gz QLAWQWBXEBLKPX-QUCCMNQESA-N 2 1 327.472 2.418 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649461113 1353517731 /nfs/dbraw/zinc/51/77/31/1353517731.db2.gz DBKGMACLRHKLMJ-HKUYNNGSSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001656847770 1354283547 /nfs/dbraw/zinc/28/35/47/1354283547.db2.gz QCEWOIZSQKXNHB-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001656847770 1354283553 /nfs/dbraw/zinc/28/35/53/1354283553.db2.gz QCEWOIZSQKXNHB-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001656847770 1354283557 /nfs/dbraw/zinc/28/35/57/1354283557.db2.gz QCEWOIZSQKXNHB-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192681 1354602921 /nfs/dbraw/zinc/60/29/21/1354602921.db2.gz IJADVRVLZYOCBZ-LJQANCHMSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664599922 1355197911 /nfs/dbraw/zinc/19/79/11/1355197911.db2.gz WHEIXJWBSIHOSP-RBUKOAKNSA-N 2 1 327.472 2.331 10 30 EEEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001667107774 1355649533 /nfs/dbraw/zinc/64/95/33/1355649533.db2.gz HGGNAGXHVWNODM-QFBILLFUSA-N 2 1 339.499 2.343 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C(C)C ZINC001667469274 1355746662 /nfs/dbraw/zinc/74/66/62/1355746662.db2.gz NYNFAGQXIMIEDU-SJORKVTESA-N 2 1 333.501 2.076 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C(C)C ZINC001667469274 1355746669 /nfs/dbraw/zinc/74/66/69/1355746669.db2.gz NYNFAGQXIMIEDU-SJORKVTESA-N 2 1 333.501 2.076 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771889 1355813044 /nfs/dbraw/zinc/81/30/44/1355813044.db2.gz USHIAQXHJSHUNZ-WOJBJXKFSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001672830384 1356594289 /nfs/dbraw/zinc/59/42/89/1356594289.db2.gz HFWXFEMSRDLKPK-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001674986707 1356921712 /nfs/dbraw/zinc/92/17/12/1356921712.db2.gz XGAIMCIQDSHEDZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001674986707 1356921713 /nfs/dbraw/zinc/92/17/13/1356921713.db2.gz XGAIMCIQDSHEDZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000940835435 779382480 /nfs/dbraw/zinc/38/24/80/779382480.db2.gz CILABQCSDXKOJM-KRWDZBQOSA-N 2 1 331.460 2.426 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001436977637 1088673290 /nfs/dbraw/zinc/67/32/90/1088673290.db2.gz UGOVLTBEFMBTIJ-HDICACEKSA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214484 1089295488 /nfs/dbraw/zinc/29/54/88/1089295488.db2.gz LMWCPMYKFUEAML-PBHICJAKSA-N 2 1 348.516 2.477 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001442228685 1096527192 /nfs/dbraw/zinc/52/71/92/1096527192.db2.gz XXHACJWYCDNQLL-VXGBXAGGSA-N 2 1 341.805 2.060 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001495423153 1101141774 /nfs/dbraw/zinc/14/17/74/1101141774.db2.gz YQHSHMBFHQOHSO-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196576 1102108723 /nfs/dbraw/zinc/10/87/23/1102108723.db2.gz AMFHSNCUXQTDPX-PBHICJAKSA-N 2 1 348.516 2.479 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CC)cc1 ZINC001497598576 1102726910 /nfs/dbraw/zinc/72/69/10/1102726910.db2.gz CCZCGSHODOUVKN-XJDXJNMNSA-N 2 1 339.483 2.109 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CC)cc1 ZINC001497598576 1102726923 /nfs/dbraw/zinc/72/69/23/1102726923.db2.gz CCZCGSHODOUVKN-XJDXJNMNSA-N 2 1 339.483 2.109 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001493807189 1108686945 /nfs/dbraw/zinc/68/69/45/1108686945.db2.gz XFRSLVUNWFALAL-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001464763873 1110402752 /nfs/dbraw/zinc/40/27/52/1110402752.db2.gz HPYVTZRFGLBZKX-UHFFFAOYSA-N 2 1 329.488 2.475 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001500498381 1112889178 /nfs/dbraw/zinc/88/91/78/1112889178.db2.gz HXSMUJNHEQDWRK-SFHVURJKSA-N 2 1 333.501 2.275 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001500511788 1112905058 /nfs/dbraw/zinc/90/50/58/1112905058.db2.gz KIJQQVMDGQMWRO-NRFANRHFSA-N 2 1 341.499 2.256 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001501187163 1113234172 /nfs/dbraw/zinc/23/41/72/1113234172.db2.gz YTRWMIICYFZZHS-KZNAEPCWSA-N 2 1 344.503 2.452 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001501619595 1113402148 /nfs/dbraw/zinc/40/21/48/1113402148.db2.gz VPVLYLCHRKDGAD-MRXNPFEDSA-N 2 1 346.475 2.288 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001501994933 1113551297 /nfs/dbraw/zinc/55/12/97/1113551297.db2.gz QELQYIRBUZUUPD-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001503692505 1113900180 /nfs/dbraw/zinc/90/01/80/1113900180.db2.gz VTTDZGPIPROMOZ-LJQANCHMSA-N 2 1 327.472 2.374 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001505396932 1113934139 /nfs/dbraw/zinc/93/41/39/1113934139.db2.gz WLPRTDBGDOVUKH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001505396932 1113934143 /nfs/dbraw/zinc/93/41/43/1113934143.db2.gz WLPRTDBGDOVUKH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001505396932 1113934146 /nfs/dbraw/zinc/93/41/46/1113934146.db2.gz WLPRTDBGDOVUKH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC001505850326 1114232609 /nfs/dbraw/zinc/23/26/09/1114232609.db2.gz RMPZBHZGMMARHH-UHFFFAOYSA-N 2 1 344.503 2.473 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001506522769 1114671895 /nfs/dbraw/zinc/67/18/95/1114671895.db2.gz XRZBIGGGDYKNLN-ZWKOTPCHSA-N 2 1 331.504 2.435 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001567945314 1124199938 /nfs/dbraw/zinc/19/99/38/1124199938.db2.gz LNYILVAYWYSGEN-HXUWFJFHSA-N 2 1 339.483 2.057 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001567945314 1124199942 /nfs/dbraw/zinc/19/99/42/1124199942.db2.gz LNYILVAYWYSGEN-HXUWFJFHSA-N 2 1 339.483 2.057 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(=C)Cl)C1 ZINC001568060374 1124265086 /nfs/dbraw/zinc/26/50/86/1124265086.db2.gz LGFCNFWFYOILOK-SJORKVTESA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(=C)Cl)C1 ZINC001568060374 1124265088 /nfs/dbraw/zinc/26/50/88/1124265088.db2.gz LGFCNFWFYOILOK-SJORKVTESA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001568506311 1124561436 /nfs/dbraw/zinc/56/14/36/1124561436.db2.gz MMMUEKSSSGLQPJ-UHFFFAOYSA-N 2 1 331.504 2.222 10 30 EEEEMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298923 /nfs/dbraw/zinc/29/89/23/465298923.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298931 /nfs/dbraw/zinc/29/89/31/465298931.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298936 /nfs/dbraw/zinc/29/89/36/465298936.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000361519261 466067147 /nfs/dbraw/zinc/06/71/47/466067147.db2.gz NKBMEERAHMKVDS-UHFFFAOYSA-N 2 1 338.411 2.163 10 30 EEEEMP C=CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662391586 472095706 /nfs/dbraw/zinc/09/57/06/472095706.db2.gz CKXAUQOZGSABRQ-HXUWFJFHSA-N 2 1 327.472 2.419 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCC(C)C)CC2)CC1 ZINC001485767220 1191940976 /nfs/dbraw/zinc/94/09/76/1191940976.db2.gz FYAWNNCHWDLAGE-UHFFFAOYSA-N 2 1 333.520 2.301 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001266699841 1177223567 /nfs/dbraw/zinc/22/35/67/1177223567.db2.gz QJEIMVDELBUKCC-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001266699841 1177223582 /nfs/dbraw/zinc/22/35/82/1177223582.db2.gz QJEIMVDELBUKCC-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccccc1 ZINC001267393642 1178964358 /nfs/dbraw/zinc/96/43/58/1178964358.db2.gz OHYNBMFOIZAJAJ-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001267440669 1179013146 /nfs/dbraw/zinc/01/31/46/1179013146.db2.gz VOQKRRLGBCLHNN-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP CCN(CC#Cc1ccccc1Cl)CCNC(=O)CC[N@@H+](C)CC ZINC001481010242 1179485351 /nfs/dbraw/zinc/48/53/51/1179485351.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1Cl)CCNC(=O)CC[N@@H+](C)CC ZINC001481010242 1179485355 /nfs/dbraw/zinc/48/53/55/1179485355.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1Cl)CCNC(=O)CC[N@H+](C)CC ZINC001481010242 1179485358 /nfs/dbraw/zinc/48/53/58/1179485358.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)CC#Cc1ccccc1Cl ZINC001481010242 1179485362 /nfs/dbraw/zinc/48/53/62/1179485362.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)CC#Cc1ccccc1Cl ZINC001481010242 1179485365 /nfs/dbraw/zinc/48/53/65/1179485365.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC(C)C)CC1 ZINC001268198992 1181998836 /nfs/dbraw/zinc/99/88/36/1181998836.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC(C)C)CC1 ZINC001268198992 1181998839 /nfs/dbraw/zinc/99/88/39/1181998839.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC(C)C)CC1 ZINC001268198992 1181998841 /nfs/dbraw/zinc/99/88/41/1181998841.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC(C)C)CC1 ZINC001268198992 1181998843 /nfs/dbraw/zinc/99/88/43/1181998843.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC(C)C)CC1 ZINC001268198992 1181998846 /nfs/dbraw/zinc/99/88/46/1181998846.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268493535 1182994378 /nfs/dbraw/zinc/99/43/78/1182994378.db2.gz PQEOWDAEVHWTPX-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481941598 1183000799 /nfs/dbraw/zinc/00/07/99/1183000799.db2.gz VBFPICLTNOXGJG-OALUTQOASA-N 2 1 337.483 2.097 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268549595 1183232201 /nfs/dbraw/zinc/23/22/01/1183232201.db2.gz QSBFCKHUDSQNLP-REMYHPOOSA-N 2 1 346.500 2.256 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269908244 1184708912 /nfs/dbraw/zinc/70/89/12/1184708912.db2.gz LROHTSLDLPPHDL-CQSZACIVSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269935853 1184728279 /nfs/dbraw/zinc/72/82/79/1184728279.db2.gz YYIQJXPBUQJKCN-MRXNPFEDSA-N 2 1 327.900 2.299 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271565268 1186315497 /nfs/dbraw/zinc/31/54/97/1186315497.db2.gz CAXVLOGAMYNLNU-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001271900332 1186596757 /nfs/dbraw/zinc/59/67/57/1186596757.db2.gz HSNMGIFYOCFHBB-SJLPKXTDSA-N 2 1 332.492 2.451 10 30 EEEEMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506598 /nfs/dbraw/zinc/50/65/98/1187506598.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506600 /nfs/dbraw/zinc/50/66/00/1187506600.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506602 /nfs/dbraw/zinc/50/66/02/1187506602.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482862449 1187775344 /nfs/dbraw/zinc/77/53/44/1187775344.db2.gz SOSUKTYVIJBLBN-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482929588 1187849650 /nfs/dbraw/zinc/84/96/50/1187849650.db2.gz BNWFTOCMKVKVIY-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001272117423 1187920915 /nfs/dbraw/zinc/92/09/15/1187920915.db2.gz GZUCTDDXAHQGGL-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001272117423 1187920921 /nfs/dbraw/zinc/92/09/21/1187920921.db2.gz GZUCTDDXAHQGGL-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001272117423 1187920925 /nfs/dbraw/zinc/92/09/25/1187920925.db2.gz GZUCTDDXAHQGGL-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001486130503 1193689909 /nfs/dbraw/zinc/68/99/09/1193689909.db2.gz QCEBOYFVTVYSTQ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001483817813 1191046588 /nfs/dbraw/zinc/04/65/88/1191046588.db2.gz ZTTKVAOZSPNVHO-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001483817813 1191046592 /nfs/dbraw/zinc/04/65/92/1191046592.db2.gz ZTTKVAOZSPNVHO-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001483817813 1191046594 /nfs/dbraw/zinc/04/65/94/1191046594.db2.gz ZTTKVAOZSPNVHO-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001484467362 1191371866 /nfs/dbraw/zinc/37/18/66/1191371866.db2.gz HFSQQINHCSOBHR-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001484467362 1191371868 /nfs/dbraw/zinc/37/18/68/1191371868.db2.gz HFSQQINHCSOBHR-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467362 1191371870 /nfs/dbraw/zinc/37/18/70/1191371870.db2.gz HFSQQINHCSOBHR-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467362 1191371872 /nfs/dbraw/zinc/37/18/72/1191371872.db2.gz HFSQQINHCSOBHR-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204494 1197516353 /nfs/dbraw/zinc/51/63/53/1197516353.db2.gz LJUYIGFRAJPBBR-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP COc1ccc(C#N)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785649 1197901740 /nfs/dbraw/zinc/90/17/40/1197901740.db2.gz LBVNEXKCWNDFHM-VHRNVKJDSA-N 2 1 328.416 2.438 10 30 EEEEMP COc1ccc(C#N)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785649 1197901743 /nfs/dbraw/zinc/90/17/43/1197901743.db2.gz LBVNEXKCWNDFHM-VHRNVKJDSA-N 2 1 328.416 2.438 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001273428525 1198811172 /nfs/dbraw/zinc/81/11/72/1198811172.db2.gz PGNTXYJEECWPIN-MRXNPFEDSA-N 2 1 342.443 2.350 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000876728786 1199743358 /nfs/dbraw/zinc/74/33/58/1199743358.db2.gz VMZLSHWGIJUQED-WCQYABFASA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000876728786 1199743361 /nfs/dbraw/zinc/74/33/61/1199743361.db2.gz VMZLSHWGIJUQED-WCQYABFASA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266786550 1276619817 /nfs/dbraw/zinc/61/98/17/1276619817.db2.gz KKHNLNLDBPRCEE-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266786550 1276619827 /nfs/dbraw/zinc/61/98/27/1276619827.db2.gz KKHNLNLDBPRCEE-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001273824892 1286477673 /nfs/dbraw/zinc/47/76/73/1286477673.db2.gz LJJZVYLKYKDSED-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001273824892 1286477682 /nfs/dbraw/zinc/47/76/82/1286477682.db2.gz LJJZVYLKYKDSED-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001273824892 1286477689 /nfs/dbraw/zinc/47/76/89/1286477689.db2.gz LJJZVYLKYKDSED-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277147750 1301511664 /nfs/dbraw/zinc/51/16/64/1301511664.db2.gz GZBZQSVWIAWXRI-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001278169495 1306147438 /nfs/dbraw/zinc/14/74/38/1306147438.db2.gz NKLBYKLCIODHTK-GOSISDBHSA-N 2 1 345.512 2.269 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001278194996 1306245993 /nfs/dbraw/zinc/24/59/93/1306245993.db2.gz ZNNNZMBZZRQHHK-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264549869 1322730314 /nfs/dbraw/zinc/73/03/14/1322730314.db2.gz UTLDDDIDIKBBIS-HBFSDRIKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586119 1322740571 /nfs/dbraw/zinc/74/05/71/1322740571.db2.gz LLGLLECBTQUGKY-NJAFHUGGSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586119 1322740575 /nfs/dbraw/zinc/74/05/75/1322740575.db2.gz LLGLLECBTQUGKY-NJAFHUGGSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586119 1322740576 /nfs/dbraw/zinc/74/05/76/1322740576.db2.gz LLGLLECBTQUGKY-NJAFHUGGSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755596 1322810873 /nfs/dbraw/zinc/81/08/73/1322810873.db2.gz WAMAZHHAPAMSCD-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001266120094 1323690408 /nfs/dbraw/zinc/69/04/08/1323690408.db2.gz SVNDSNAADDUOBD-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231425 1323811624 /nfs/dbraw/zinc/81/16/24/1323811624.db2.gz HYNTVYHPLISFIY-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231425 1323811631 /nfs/dbraw/zinc/81/16/31/1323811631.db2.gz HYNTVYHPLISFIY-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001280198152 1324110534 /nfs/dbraw/zinc/11/05/34/1324110534.db2.gz NXEGNRBTSXUSOS-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCOCC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001281050067 1324744363 /nfs/dbraw/zinc/74/43/63/1324744363.db2.gz UCOXHDLWXRXMDF-IBGZPJMESA-N 2 1 349.519 2.036 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC001281497769 1325173936 /nfs/dbraw/zinc/17/39/36/1325173936.db2.gz LTFCBNOHUCDKOI-QGZVFWFLSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001281497769 1325173995 /nfs/dbraw/zinc/17/39/95/1325173995.db2.gz LTFCBNOHUCDKOI-QGZVFWFLSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001281497769 1325174002 /nfs/dbraw/zinc/17/40/02/1325174002.db2.gz LTFCBNOHUCDKOI-QGZVFWFLSA-N 2 1 345.491 2.337 10 30 EEEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001284072698 1326393709 /nfs/dbraw/zinc/39/37/09/1326393709.db2.gz UDBSWBLCQZKOKR-QUCCMNQESA-N 2 1 331.504 2.389 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491929254 1330318818 /nfs/dbraw/zinc/31/88/18/1330318818.db2.gz NENSNJFSIDWGPF-INIZCTEOSA-N 2 1 333.501 2.369 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873967 1331943601 /nfs/dbraw/zinc/94/36/01/1331943601.db2.gz IUZUVZFCLLPBLL-WMLDXEAASA-N 2 1 334.464 2.285 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317354017 1332191532 /nfs/dbraw/zinc/19/15/32/1332191532.db2.gz BBHZVBXGTOCORK-GJZGRUSLSA-N 2 1 334.464 2.333 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001317435107 1332238626 /nfs/dbraw/zinc/23/86/26/1332238626.db2.gz PKKHUZRTHQXFMH-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317485969 1332261730 /nfs/dbraw/zinc/26/17/30/1332261730.db2.gz HFBVSSRRYMLVFC-LJQANCHMSA-N 2 1 329.488 2.062 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317485969 1332261732 /nfs/dbraw/zinc/26/17/32/1332261732.db2.gz HFBVSSRRYMLVFC-LJQANCHMSA-N 2 1 329.488 2.062 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317720980 1332388127 /nfs/dbraw/zinc/38/81/27/1332388127.db2.gz QDASXVJHJPROQE-RBUKOAKNSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317857204 1332433623 /nfs/dbraw/zinc/43/36/23/1332433623.db2.gz PGVZYQXFODFSBK-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857204 1332433625 /nfs/dbraw/zinc/43/36/25/1332433625.db2.gz PGVZYQXFODFSBK-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857204 1332433626 /nfs/dbraw/zinc/43/36/26/1332433626.db2.gz PGVZYQXFODFSBK-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001319038676 1332640654 /nfs/dbraw/zinc/64/06/54/1332640654.db2.gz SYWKNQMZGXJGJI-RTBURBONSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C ZINC001319080555 1332646463 /nfs/dbraw/zinc/64/64/63/1332646463.db2.gz BDEMYIDWVIZZIA-QRVBRYPASA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C ZINC001319080555 1332646464 /nfs/dbraw/zinc/64/64/64/1332646464.db2.gz BDEMYIDWVIZZIA-QRVBRYPASA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001323048199 1333374803 /nfs/dbraw/zinc/37/48/03/1333374803.db2.gz QZFDKKLGOJQITQ-RTBURBONSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324397940 1333674590 /nfs/dbraw/zinc/67/45/90/1333674590.db2.gz WGBFQEDAHVSQCZ-UHFFFAOYSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426850 1333680558 /nfs/dbraw/zinc/68/05/58/1333680558.db2.gz OEIHQGCUNNAQDW-HKUYNNGSSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001324481698 1333691996 /nfs/dbraw/zinc/69/19/96/1333691996.db2.gz HPZFJIANJYKLIE-YIGKEOEDSA-N 2 1 337.895 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001324481698 1333692003 /nfs/dbraw/zinc/69/20/03/1333692003.db2.gz HPZFJIANJYKLIE-YIGKEOEDSA-N 2 1 337.895 2.101 10 30 EEEEMP CC#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001326912029 1334182678 /nfs/dbraw/zinc/18/26/78/1334182678.db2.gz XEFKSSVBZPBOQY-SFHVURJKSA-N 2 1 327.472 2.331 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566689853 1342603799 /nfs/dbraw/zinc/60/37/99/1342603799.db2.gz WBESLNYKRONAST-ROUUACIJSA-N 2 1 349.519 2.033 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001567662985 1342808020 /nfs/dbraw/zinc/80/80/20/1342808020.db2.gz KXSYJUKBANGMCE-OAQYLSRUSA-N 2 1 349.478 2.437 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001567745492 1342832139 /nfs/dbraw/zinc/83/21/39/1342832139.db2.gz QUASKZWCWJEDHB-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001570119123 1343013661 /nfs/dbraw/zinc/01/36/61/1343013661.db2.gz OXKZHNWEAGJDBA-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397888 1343065257 /nfs/dbraw/zinc/06/52/57/1343065257.db2.gz QCGUCSGZOLANNM-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397888 1343065261 /nfs/dbraw/zinc/06/52/61/1343065261.db2.gz QCGUCSGZOLANNM-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397888 1343065264 /nfs/dbraw/zinc/06/52/64/1343065264.db2.gz QCGUCSGZOLANNM-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571480109 1343216932 /nfs/dbraw/zinc/21/69/32/1343216932.db2.gz ZTKUHSVUWORRHL-PKOBYXMFSA-N 2 1 339.483 2.101 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676888996 1357234321 /nfs/dbraw/zinc/23/43/21/1357234321.db2.gz XMNJQNOJCJSLRC-AEFFLSMTSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476393 /nfs/dbraw/zinc/47/63/93/1354476393.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476396 /nfs/dbraw/zinc/47/63/96/1354476396.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476397 /nfs/dbraw/zinc/47/63/97/1354476397.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001661213494 1354608764 /nfs/dbraw/zinc/60/87/64/1354608764.db2.gz SNTCWTYDGXJMRY-IEBWSBKVSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC/C=C\CC)C1 ZINC001661724536 1354681131 /nfs/dbraw/zinc/68/11/31/1354681131.db2.gz WGBSEEWJRCUEBE-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001661724536 1354681136 /nfs/dbraw/zinc/68/11/36/1354681136.db2.gz WGBSEEWJRCUEBE-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C\CC)C1 ZINC001661724536 1354681137 /nfs/dbraw/zinc/68/11/37/1354681137.db2.gz WGBSEEWJRCUEBE-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C\CC)C1 ZINC001661724536 1354681143 /nfs/dbraw/zinc/68/11/43/1354681143.db2.gz WGBSEEWJRCUEBE-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCCCC)C1 ZINC001664812565 1355233778 /nfs/dbraw/zinc/23/37/78/1355233778.db2.gz RSQFMXURQVVWHT-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCCCC)C1 ZINC001664812565 1355233784 /nfs/dbraw/zinc/23/37/84/1355233784.db2.gz RSQFMXURQVVWHT-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCCC)C1 ZINC001664812565 1355233787 /nfs/dbraw/zinc/23/37/87/1355233787.db2.gz RSQFMXURQVVWHT-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCCC)C1 ZINC001664812565 1355233792 /nfs/dbraw/zinc/23/37/92/1355233792.db2.gz RSQFMXURQVVWHT-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001666145015 1355465699 /nfs/dbraw/zinc/46/56/99/1355465699.db2.gz BNLMLDKJNPKQQH-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001672806599 1356588918 /nfs/dbraw/zinc/58/89/18/1356588918.db2.gz YRNBBDPCSPRMRY-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001672929500 1356617178 /nfs/dbraw/zinc/61/71/78/1356617178.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001672929500 1356617183 /nfs/dbraw/zinc/61/71/83/1356617183.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001672929500 1356617190 /nfs/dbraw/zinc/61/71/90/1356617190.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001673079676 1356644434 /nfs/dbraw/zinc/64/44/34/1356644434.db2.gz JURAZQPNNLOVHP-UHFFFAOYSA-N 2 1 327.472 2.333 10 30 EEEEMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675689192 1357036503 /nfs/dbraw/zinc/03/65/03/1357036503.db2.gz YAVUMUNAMJUGMO-QRQLOZEOSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001684792692 1358280692 /nfs/dbraw/zinc/28/06/92/1358280692.db2.gz PLRBJIXFHBDUTI-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001684792692 1358280696 /nfs/dbraw/zinc/28/06/96/1358280696.db2.gz PLRBJIXFHBDUTI-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792692 1358280699 /nfs/dbraw/zinc/28/06/99/1358280699.db2.gz PLRBJIXFHBDUTI-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792692 1358280704 /nfs/dbraw/zinc/28/07/04/1358280704.db2.gz PLRBJIXFHBDUTI-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001438809410 1091422584 /nfs/dbraw/zinc/42/25/84/1091422584.db2.gz KPDBNAQVHQVYPE-HOCLYGCPSA-N 2 1 338.883 2.237 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283180 1091941972 /nfs/dbraw/zinc/94/19/72/1091941972.db2.gz CLDFUSHNPHBOHX-BBRMVZONSA-N 2 1 334.489 2.088 10 30 EEEEMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001440353750 1093508846 /nfs/dbraw/zinc/50/88/46/1093508846.db2.gz CINLHDINVBOXCJ-SFHVURJKSA-N 2 1 340.471 2.029 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441144608 1094481772 /nfs/dbraw/zinc/48/17/72/1094481772.db2.gz ZQFLXCSCRYTONO-HUUCEWRRSA-N 2 1 348.516 2.336 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001442297382 1096613107 /nfs/dbraw/zinc/61/31/07/1096613107.db2.gz SYFQPZQCKBWGES-CJNGLKHVSA-N 2 1 333.879 2.436 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001443329497 1097834850 /nfs/dbraw/zinc/83/48/50/1097834850.db2.gz WAFVQNHCVIYUIG-JYJNAYRXSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001443329497 1097834860 /nfs/dbraw/zinc/83/48/60/1097834860.db2.gz WAFVQNHCVIYUIG-JYJNAYRXSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001443329497 1097834868 /nfs/dbraw/zinc/83/48/68/1097834868.db2.gz WAFVQNHCVIYUIG-JYJNAYRXSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001479735720 1098843873 /nfs/dbraw/zinc/84/38/73/1098843873.db2.gz BHERDDSFOQSHBT-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001479735720 1098843880 /nfs/dbraw/zinc/84/38/80/1098843880.db2.gz BHERDDSFOQSHBT-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480096216 1099658556 /nfs/dbraw/zinc/65/85/56/1099658556.db2.gz OXAXZNTWYUHPRK-IXDOHACOSA-N 2 1 325.472 2.308 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497252204 1102194875 /nfs/dbraw/zinc/19/48/75/1102194875.db2.gz KMWWUWIPQMLHAP-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC001493897934 1103073712 /nfs/dbraw/zinc/07/37/12/1103073712.db2.gz IVPIKHBXLGJHCY-IEBWSBKVSA-N 2 1 338.455 2.387 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001447673451 1103092080 /nfs/dbraw/zinc/09/20/80/1103092080.db2.gz NYAQYXBACQXPKO-ZDUSSCGKSA-N 2 1 340.855 2.121 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001494324824 1103896406 /nfs/dbraw/zinc/89/64/06/1103896406.db2.gz OOXBOBHNPCTILE-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001494324824 1103896418 /nfs/dbraw/zinc/89/64/18/1103896418.db2.gz OOXBOBHNPCTILE-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001494673225 1104259351 /nfs/dbraw/zinc/25/93/51/1104259351.db2.gz QPYREPHVUXNBIZ-TXPKVOOTSA-N 2 1 337.483 2.450 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001494673225 1104259367 /nfs/dbraw/zinc/25/93/67/1104259367.db2.gz QPYREPHVUXNBIZ-TXPKVOOTSA-N 2 1 337.483 2.450 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001494673225 1104259371 /nfs/dbraw/zinc/25/93/71/1104259371.db2.gz QPYREPHVUXNBIZ-TXPKVOOTSA-N 2 1 337.483 2.450 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC001495002911 1104646742 /nfs/dbraw/zinc/64/67/42/1104646742.db2.gz NWDXNEWPJPUCIM-IHEKOVBBSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC001495002911 1104646749 /nfs/dbraw/zinc/64/67/49/1104646749.db2.gz NWDXNEWPJPUCIM-IHEKOVBBSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001500131888 1112631798 /nfs/dbraw/zinc/63/17/98/1112631798.db2.gz UWRUCMUIWYQOFE-MOPGFXCFSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001501053476 1113182266 /nfs/dbraw/zinc/18/22/66/1113182266.db2.gz IQSAWQDTNXUKMF-IAGOWNOFSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCCC)C[C@H]32)CC1 ZINC001501427438 1113355633 /nfs/dbraw/zinc/35/56/33/1113355633.db2.gz LZQAWSOEDDYZQU-VQTJNVASSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001501994934 1113551283 /nfs/dbraw/zinc/55/12/83/1113551283.db2.gz QELQYIRBUZUUPD-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001502404830 1113669719 /nfs/dbraw/zinc/66/97/19/1113669719.db2.gz NXHREIUFQVNNHR-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001502404830 1113669721 /nfs/dbraw/zinc/66/97/21/1113669721.db2.gz NXHREIUFQVNNHR-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001502404830 1113669724 /nfs/dbraw/zinc/66/97/24/1113669724.db2.gz NXHREIUFQVNNHR-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001506854466 1114918471 /nfs/dbraw/zinc/91/84/71/1114918471.db2.gz LPWZGIINBPGFOA-OTWHNJEPSA-N 2 1 345.531 2.348 10 30 EEEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001507382941 1115241262 /nfs/dbraw/zinc/24/12/62/1115241262.db2.gz MAVBYFLWFGWVHU-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001507382941 1115241263 /nfs/dbraw/zinc/24/12/63/1115241263.db2.gz MAVBYFLWFGWVHU-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001507382941 1115241265 /nfs/dbraw/zinc/24/12/65/1115241265.db2.gz MAVBYFLWFGWVHU-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001507382941 1115241266 /nfs/dbraw/zinc/24/12/66/1115241266.db2.gz MAVBYFLWFGWVHU-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001568056594 1124261533 /nfs/dbraw/zinc/26/15/33/1124261533.db2.gz GVBPPRLGJSMIFX-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001568056594 1124261539 /nfs/dbraw/zinc/26/15/39/1124261539.db2.gz GVBPPRLGJSMIFX-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001568277832 1124400101 /nfs/dbraw/zinc/40/01/01/1124400101.db2.gz GSVLMXQVARNBDG-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001568277832 1124400104 /nfs/dbraw/zinc/40/01/04/1124400104.db2.gz GSVLMXQVARNBDG-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001568858434 1124881013 /nfs/dbraw/zinc/88/10/13/1124881013.db2.gz NEEGIFCKXYXGNG-ROUKRRSUSA-N 2 1 339.483 2.175 10 30 EEEEMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001565885159 1125449370 /nfs/dbraw/zinc/44/93/70/1125449370.db2.gz PNUYRTFKPYLLQG-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001565885159 1125449374 /nfs/dbraw/zinc/44/93/74/1125449374.db2.gz PNUYRTFKPYLLQG-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001565885159 1125449377 /nfs/dbraw/zinc/44/93/77/1125449377.db2.gz PNUYRTFKPYLLQG-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP C[C@@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025816 463309862 /nfs/dbraw/zinc/30/98/62/463309862.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 1 328.460 2.348 10 30 EEEEMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444098 468590370 /nfs/dbraw/zinc/59/03/70/468590370.db2.gz XPJHWPXCNZVXSM-YTQUADARSA-N 2 1 342.487 2.424 10 30 EEEEMP C[N@@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717530 468631937 /nfs/dbraw/zinc/63/19/37/468631937.db2.gz MTNYUKZQGMYHEU-GOSISDBHSA-N 2 1 337.508 2.302 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722345 468635381 /nfs/dbraw/zinc/63/53/81/468635381.db2.gz RJKGVHFSUDVLAQ-APWZRJJASA-N 2 1 343.471 2.052 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722345 468635387 /nfs/dbraw/zinc/63/53/87/468635387.db2.gz RJKGVHFSUDVLAQ-APWZRJJASA-N 2 1 343.471 2.052 10 30 EEEEMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323264 468938703 /nfs/dbraw/zinc/93/87/03/468938703.db2.gz SAAHAUORJUEMTD-LMMKCTJWSA-N 2 1 329.444 2.428 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052579 1177458478 /nfs/dbraw/zinc/45/84/78/1177458478.db2.gz USNTYCNRMNZWMX-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052579 1177458487 /nfs/dbraw/zinc/45/84/87/1177458487.db2.gz USNTYCNRMNZWMX-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691052579 1177458493 /nfs/dbraw/zinc/45/84/93/1177458493.db2.gz USNTYCNRMNZWMX-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691052579 1177458500 /nfs/dbraw/zinc/45/85/00/1177458500.db2.gz USNTYCNRMNZWMX-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001691165638 1177660517 /nfs/dbraw/zinc/66/05/17/1177660517.db2.gz CMQGKZURJKOTEG-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001691165638 1177660519 /nfs/dbraw/zinc/66/05/19/1177660519.db2.gz CMQGKZURJKOTEG-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266949440 1177873951 /nfs/dbraw/zinc/87/39/51/1177873951.db2.gz OTFVNEZNGOKBTF-AZUAARDMSA-N 2 1 341.499 2.253 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267004818 1178067137 /nfs/dbraw/zinc/06/71/37/1178067137.db2.gz JITZCUFAPFAEKB-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001267190073 1178461385 /nfs/dbraw/zinc/46/13/85/1178461385.db2.gz BZLTVJZQDAQAMF-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001267190073 1178461389 /nfs/dbraw/zinc/46/13/89/1178461389.db2.gz BZLTVJZQDAQAMF-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267492838 1179168585 /nfs/dbraw/zinc/16/85/85/1179168585.db2.gz YFBWNXPUICBNDD-PKOBYXMFSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001267511710 1179225267 /nfs/dbraw/zinc/22/52/67/1179225267.db2.gz UCJQYYMERGCCCM-UHFFFAOYSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267552531 1179343988 /nfs/dbraw/zinc/34/39/88/1179343988.db2.gz OKQAKUORBNLGDC-SFHVURJKSA-N 2 1 341.499 2.256 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740945 1182468053 /nfs/dbraw/zinc/46/80/53/1182468053.db2.gz GPSOWOGKSHZPMU-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740945 1182468056 /nfs/dbraw/zinc/46/80/56/1182468056.db2.gz GPSOWOGKSHZPMU-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001481984464 1183086893 /nfs/dbraw/zinc/08/68/93/1183086893.db2.gz PXHKYUJPOZILRP-HXUWFJFHSA-N 2 1 341.499 2.012 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371233 1185053994 /nfs/dbraw/zinc/05/39/94/1185053994.db2.gz FMMLQJWRRDRZNM-CRAIPNDOSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482454558 1185867409 /nfs/dbraw/zinc/86/74/09/1185867409.db2.gz CWADIHOYIBRTDW-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552274 1186668659 /nfs/dbraw/zinc/66/86/59/1186668659.db2.gz CMHGZSREODYAOK-ICSRJNTNSA-N 2 1 341.499 2.110 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001272053551 1187287511 /nfs/dbraw/zinc/28/75/11/1187287511.db2.gz NOYLSOOBCUIZKV-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001272053551 1187287517 /nfs/dbraw/zinc/28/75/17/1187287517.db2.gz NOYLSOOBCUIZKV-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001272053551 1187287522 /nfs/dbraw/zinc/28/75/22/1187287522.db2.gz NOYLSOOBCUIZKV-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272773079 1193490860 /nfs/dbraw/zinc/49/08/60/1193490860.db2.gz JDSXZFMVANDVNC-UONOGXRCSA-N 2 1 346.313 2.252 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001691556716 1188261678 /nfs/dbraw/zinc/26/16/78/1188261678.db2.gz IXJJDRZKAZKNOS-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661394 1193611546 /nfs/dbraw/zinc/61/15/46/1193611546.db2.gz RZGQNYUUNFNPLI-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661394 1193611548 /nfs/dbraw/zinc/61/15/48/1193611548.db2.gz RZGQNYUUNFNPLI-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001425645388 1189641554 /nfs/dbraw/zinc/64/15/54/1189641554.db2.gz CKLPKEAJTYONBD-CJNGLKHVSA-N 2 1 333.879 2.388 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693746 1190203449 /nfs/dbraw/zinc/20/34/49/1190203449.db2.gz RQPQBJBRACTZOX-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693746 1190203453 /nfs/dbraw/zinc/20/34/53/1190203453.db2.gz RQPQBJBRACTZOX-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001409693746 1190203455 /nfs/dbraw/zinc/20/34/55/1190203455.db2.gz RQPQBJBRACTZOX-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001409693746 1190203460 /nfs/dbraw/zinc/20/34/60/1190203460.db2.gz RQPQBJBRACTZOX-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914825 1191114922 /nfs/dbraw/zinc/11/49/22/1191114922.db2.gz RMTCKNHEJVQHDS-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988286 1191143862 /nfs/dbraw/zinc/14/38/62/1191143862.db2.gz VTXGDSLVUZSPFU-ICSRJNTNSA-N 2 1 343.515 2.340 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CCCC1 ZINC001484010566 1191154252 /nfs/dbraw/zinc/15/42/52/1191154252.db2.gz ZPTSIHZMMMZKJW-GOSISDBHSA-N 2 1 346.475 2.335 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001484098699 1191210053 /nfs/dbraw/zinc/21/00/53/1191210053.db2.gz YJEYWNXYBUCQJR-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001484098699 1191210054 /nfs/dbraw/zinc/21/00/54/1191210054.db2.gz YJEYWNXYBUCQJR-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001484715398 1191480039 /nfs/dbraw/zinc/48/00/39/1191480039.db2.gz OUEDKMOKIAEMEA-CABCVRRESA-N 2 1 333.879 2.390 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230188 1191699265 /nfs/dbraw/zinc/69/92/65/1191699265.db2.gz QSJOQWUKCIKAJI-UONOGXRCSA-N 2 1 334.439 2.020 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001410321845 1197703101 /nfs/dbraw/zinc/70/31/01/1197703101.db2.gz DLXWPKYVBDUJQM-IBGZPJMESA-N 2 1 342.487 2.225 10 30 EEEEMP C#CCCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000876697105 1199728492 /nfs/dbraw/zinc/72/84/92/1199728492.db2.gz QEHYTEQWOFHAGL-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(=O)NCC[NH+](C)C ZINC000866324689 1201492529 /nfs/dbraw/zinc/49/25/29/1201492529.db2.gz BGPLZXIZNOWXGH-YOEHRIQHSA-N 2 1 346.475 2.007 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574040 1205423186 /nfs/dbraw/zinc/42/31/86/1205423186.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574040 1205423187 /nfs/dbraw/zinc/42/31/87/1205423187.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574040 1205423189 /nfs/dbraw/zinc/42/31/89/1205423189.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001275574040 1205423190 /nfs/dbraw/zinc/42/31/90/1205423190.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001275574040 1205423191 /nfs/dbraw/zinc/42/31/91/1205423191.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001275617730 1205446322 /nfs/dbraw/zinc/44/63/22/1205446322.db2.gz UQJGXKRNTMUCBT-LMDPOFIKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000929848057 1206508365 /nfs/dbraw/zinc/50/83/65/1206508365.db2.gz PMCYRKWAFKAQOX-PKOBYXMFSA-N 2 1 325.456 2.413 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000929848057 1206508367 /nfs/dbraw/zinc/50/83/67/1206508367.db2.gz PMCYRKWAFKAQOX-PKOBYXMFSA-N 2 1 325.456 2.413 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490163639 1290990259 /nfs/dbraw/zinc/99/02/59/1290990259.db2.gz CBRHOGBKJZZUTE-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001490163639 1290990261 /nfs/dbraw/zinc/99/02/61/1290990261.db2.gz CBRHOGBKJZZUTE-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001490163639 1290990263 /nfs/dbraw/zinc/99/02/63/1290990263.db2.gz CBRHOGBKJZZUTE-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491171153 1299651380 /nfs/dbraw/zinc/65/13/80/1299651380.db2.gz YZHACBGYHLVONH-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001278677190 1317684623 /nfs/dbraw/zinc/68/46/23/1317684623.db2.gz FLSVNRRBHFIMHH-OAQYLSRUSA-N 2 1 341.499 2.208 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001264402962 1322691628 /nfs/dbraw/zinc/69/16/28/1322691628.db2.gz CIXCHGQAZNXLFS-ZACQAIPSSA-N 2 1 330.476 2.205 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001265596461 1323253692 /nfs/dbraw/zinc/25/36/92/1323253692.db2.gz CTZAPWIDOBFUQZ-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001265596461 1323253699 /nfs/dbraw/zinc/25/36/99/1323253699.db2.gz CTZAPWIDOBFUQZ-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001265596461 1323253704 /nfs/dbraw/zinc/25/37/04/1323253704.db2.gz CTZAPWIDOBFUQZ-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790676 1323382531 /nfs/dbraw/zinc/38/25/31/1323382531.db2.gz QHXYYRJXBLUGTK-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626418 /nfs/dbraw/zinc/62/64/18/1323626418.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626424 /nfs/dbraw/zinc/62/64/24/1323626424.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626429 /nfs/dbraw/zinc/62/64/29/1323626429.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001281721618 1325412484 /nfs/dbraw/zinc/41/24/84/1325412484.db2.gz CNFVVJFFYLFSFO-YOEHRIQHSA-N 2 1 333.501 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001281721618 1325412488 /nfs/dbraw/zinc/41/24/88/1325412488.db2.gz CNFVVJFFYLFSFO-YOEHRIQHSA-N 2 1 333.501 2.139 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001282957982 1325853536 /nfs/dbraw/zinc/85/35/36/1325853536.db2.gz JWJQEPJGYQMVHS-IPMKNSEASA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001491834645 1330268639 /nfs/dbraw/zinc/26/86/39/1330268639.db2.gz KUFGEQGULBNJJF-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001492154905 1331018209 /nfs/dbraw/zinc/01/82/09/1331018209.db2.gz XGVGMBPZVJXGSR-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001492154905 1331018214 /nfs/dbraw/zinc/01/82/14/1331018214.db2.gz XGVGMBPZVJXGSR-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919163 /nfs/dbraw/zinc/91/91/63/1331919163.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919168 /nfs/dbraw/zinc/91/91/68/1331919168.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919170 /nfs/dbraw/zinc/91/91/70/1331919170.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919175 /nfs/dbraw/zinc/91/91/75/1331919175.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919177 /nfs/dbraw/zinc/91/91/77/1331919177.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCC=C)C2)CC1 ZINC001317042553 1332056634 /nfs/dbraw/zinc/05/66/34/1332056634.db2.gz FXFDRXYSCIKPAA-IBGZPJMESA-N 2 1 345.531 2.468 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099289 1332078267 /nfs/dbraw/zinc/07/82/67/1332078267.db2.gz AGZNWSCESWJHQF-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317138203 1332095428 /nfs/dbraw/zinc/09/54/28/1332095428.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317138203 1332095429 /nfs/dbraw/zinc/09/54/29/1332095429.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317138203 1332095432 /nfs/dbraw/zinc/09/54/32/1332095432.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001317396210 1332213340 /nfs/dbraw/zinc/21/33/40/1332213340.db2.gz MNGZIDQMIPYUDZ-PBHICJAKSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001317396210 1332213342 /nfs/dbraw/zinc/21/33/42/1332213342.db2.gz MNGZIDQMIPYUDZ-PBHICJAKSA-N 2 1 349.425 2.047 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413454 1332219002 /nfs/dbraw/zinc/21/90/02/1332219002.db2.gz BHSDZWDZTIHPKT-NVXWUHKLSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001317435111 1332238606 /nfs/dbraw/zinc/23/86/06/1332238606.db2.gz PKKHUZRTHQXFMH-LJQANCHMSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001317590374 1332312371 /nfs/dbraw/zinc/31/23/71/1332312371.db2.gz OUQQJUXSZXLRNG-WMLDXEAASA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001317590374 1332312375 /nfs/dbraw/zinc/31/23/75/1332312375.db2.gz OUQQJUXSZXLRNG-WMLDXEAASA-N 2 1 333.480 2.193 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317883612 1332440850 /nfs/dbraw/zinc/44/08/50/1332440850.db2.gz CVTRQDWVEVRVOF-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001320072487 1332819052 /nfs/dbraw/zinc/81/90/52/1332819052.db2.gz JTDMTGXRNWSXJG-LJQANCHMSA-N 2 1 329.488 2.015 10 30 EEEEMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001320072487 1332819055 /nfs/dbraw/zinc/81/90/55/1332819055.db2.gz JTDMTGXRNWSXJG-LJQANCHMSA-N 2 1 329.488 2.015 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl ZINC001321418864 1333100494 /nfs/dbraw/zinc/10/04/94/1333100494.db2.gz KXFCIQZQKRPTKZ-VOTSOKGWSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC[NH+](CC=C)CC1 ZINC001324420166 1333678815 /nfs/dbraw/zinc/67/88/15/1333678815.db2.gz NMSJCZPRLBAFSP-HXUWFJFHSA-N 2 1 349.494 2.311 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)c1ccc2ccccc2c1 ZINC001324452795 1333686994 /nfs/dbraw/zinc/68/69/94/1333686994.db2.gz XQSXUUQURVOANL-FQEVSTJZSA-N 2 1 346.434 2.425 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001325766840 1333956641 /nfs/dbraw/zinc/95/66/41/1333956641.db2.gz RLYHPRDNOULCPQ-QRQLOZEOSA-N 2 1 333.520 2.463 10 30 EEEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330599892 1334875424 /nfs/dbraw/zinc/87/54/24/1334875424.db2.gz VAJWMYBEDNOFFY-KZNAEPCWSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332114074 1335732632 /nfs/dbraw/zinc/73/26/32/1335732632.db2.gz UQSRRTLSGANNTC-AZUAARDMSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001351862215 1337857883 /nfs/dbraw/zinc/85/78/83/1337857883.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001351862215 1337857885 /nfs/dbraw/zinc/85/78/85/1337857885.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001351862215 1337857891 /nfs/dbraw/zinc/85/78/91/1337857891.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 2 1 346.523 2.192 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059492 1342689045 /nfs/dbraw/zinc/68/90/45/1342689045.db2.gz OQCBTOUWWIZUQE-AZUAARDMSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621794 1342910629 /nfs/dbraw/zinc/91/06/29/1342910629.db2.gz ITMBNCDMXMHRQU-UYAOXDASSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001571332038 1343185471 /nfs/dbraw/zinc/18/54/71/1343185471.db2.gz QDZAUWZGVCQNDV-RBUKOAKNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001571332038 1343185479 /nfs/dbraw/zinc/18/54/79/1343185479.db2.gz QDZAUWZGVCQNDV-RBUKOAKNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001571332038 1343185485 /nfs/dbraw/zinc/18/54/85/1343185485.db2.gz QDZAUWZGVCQNDV-RBUKOAKNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001677018978 1357263240 /nfs/dbraw/zinc/26/32/40/1357263240.db2.gz NRKIQRVIRJERLM-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930537 1356242581 /nfs/dbraw/zinc/24/25/81/1356242581.db2.gz OJLLFVBKZLFVEP-MSOLQXFVSA-N 2 1 335.536 2.450 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001691749322 1356590677 /nfs/dbraw/zinc/59/06/77/1356590677.db2.gz SHIRODAAYAXVCK-WOVMCDHWSA-N 2 1 339.443 2.332 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001672863608 1356601841 /nfs/dbraw/zinc/60/18/41/1356601841.db2.gz PBWRWEJBYUTCCN-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001672890946 1356608386 /nfs/dbraw/zinc/60/83/86/1356608386.db2.gz QESGSAMXSUVSLD-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621855 1405012804 /nfs/dbraw/zinc/01/28/04/1405012804.db2.gz ZGGFRDFSSFSEOF-PKOBYXMFSA-N 2 1 345.462 2.003 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCOCC1 ZINC001699884648 1405551038 /nfs/dbraw/zinc/55/10/38/1405551038.db2.gz MRUZRNLIAHTPNR-UHFFFAOYSA-N 2 1 348.491 2.228 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941028596 779739672 /nfs/dbraw/zinc/73/96/72/779739672.db2.gz NBBWBORHLQSEEX-KRWDZBQOSA-N 2 1 346.475 2.287 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941028596 779739678 /nfs/dbraw/zinc/73/96/78/779739678.db2.gz NBBWBORHLQSEEX-KRWDZBQOSA-N 2 1 346.475 2.287 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441571204 1095339968 /nfs/dbraw/zinc/33/99/68/1095339968.db2.gz SEFGJTGUEJNYTO-RDBSUJKOSA-N 2 1 346.313 2.062 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001443870981 1098396041 /nfs/dbraw/zinc/39/60/41/1098396041.db2.gz FSJLPNBPPNAZRG-IBGZPJMESA-N 2 1 340.471 2.077 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001480285040 1099991370 /nfs/dbraw/zinc/99/13/70/1099991370.db2.gz ZLTNJIGHXBXTIJ-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001480285040 1099991376 /nfs/dbraw/zinc/99/13/76/1099991376.db2.gz ZLTNJIGHXBXTIJ-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305467 1100024875 /nfs/dbraw/zinc/02/48/75/1100024875.db2.gz CVFZHCASZCQNRV-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001496572315 1101172119 /nfs/dbraw/zinc/17/21/19/1101172119.db2.gz BGNCRCDIPLPJIN-RBUKOAKNSA-N 2 1 342.487 2.273 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001496708099 1101312844 /nfs/dbraw/zinc/31/28/44/1101312844.db2.gz VJLZASCNDNOSIQ-VQTJNVASSA-N 2 1 341.499 2.159 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001496708099 1101312847 /nfs/dbraw/zinc/31/28/47/1101312847.db2.gz VJLZASCNDNOSIQ-VQTJNVASSA-N 2 1 341.499 2.159 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001496708099 1101312863 /nfs/dbraw/zinc/31/28/63/1101312863.db2.gz VJLZASCNDNOSIQ-VQTJNVASSA-N 2 1 341.499 2.159 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001496708099 1101312877 /nfs/dbraw/zinc/31/28/77/1101312877.db2.gz VJLZASCNDNOSIQ-VQTJNVASSA-N 2 1 341.499 2.159 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001495963201 1101840098 /nfs/dbraw/zinc/84/00/98/1101840098.db2.gz FATOPHONNATRQA-SJORKVTESA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001495963201 1101840118 /nfs/dbraw/zinc/84/01/18/1101840118.db2.gz FATOPHONNATRQA-SJORKVTESA-N 2 1 337.508 2.080 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001447773056 1103287594 /nfs/dbraw/zinc/28/75/94/1103287594.db2.gz UFGPACRRQNALDW-OAHLLOKOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001447773056 1103287605 /nfs/dbraw/zinc/28/76/05/1103287605.db2.gz UFGPACRRQNALDW-OAHLLOKOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001447773056 1103287616 /nfs/dbraw/zinc/28/76/16/1103287616.db2.gz UFGPACRRQNALDW-OAHLLOKOSA-N 2 1 348.516 2.383 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031940 1103842339 /nfs/dbraw/zinc/84/23/39/1103842339.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448031940 1103842348 /nfs/dbraw/zinc/84/23/48/1103842348.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448031940 1103842367 /nfs/dbraw/zinc/84/23/67/1103842367.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039078 1103868713 /nfs/dbraw/zinc/86/87/13/1103868713.db2.gz MOHCIKXKJZXOHE-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039078 1103868724 /nfs/dbraw/zinc/86/87/24/1103868724.db2.gz MOHCIKXKJZXOHE-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001448039078 1103868735 /nfs/dbraw/zinc/86/87/35/1103868735.db2.gz MOHCIKXKJZXOHE-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001448039078 1103868747 /nfs/dbraw/zinc/86/87/47/1103868747.db2.gz MOHCIKXKJZXOHE-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495058076 1104695299 /nfs/dbraw/zinc/69/52/99/1104695299.db2.gz MQJHIHPSEOCDMP-CZUORRHYSA-N 2 1 333.879 2.436 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001500586799 1112958363 /nfs/dbraw/zinc/95/83/63/1112958363.db2.gz KLQDTZDBTQWXBR-UHFFFAOYSA-N 2 1 339.524 2.186 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001502058643 1113572756 /nfs/dbraw/zinc/57/27/56/1113572756.db2.gz VZWQBUSQMVREPY-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001506522766 1114671376 /nfs/dbraw/zinc/67/13/76/1114671376.db2.gz XRZBIGGGDYKNLN-ROUUACIJSA-N 2 1 331.504 2.435 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001506924081 1114977262 /nfs/dbraw/zinc/97/72/62/1114977262.db2.gz LOKPRPLWLAYZOJ-GOSISDBHSA-N 2 1 341.499 2.397 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c(F)c1 ZINC001508237055 1115457267 /nfs/dbraw/zinc/45/72/67/1115457267.db2.gz ZJVMVLBGEJEFSH-PKOBYXMFSA-N 2 1 345.462 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568277890 1124400252 /nfs/dbraw/zinc/40/02/52/1124400252.db2.gz IMRNXCOBWMTWJM-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568277890 1124400260 /nfs/dbraw/zinc/40/02/60/1124400260.db2.gz IMRNXCOBWMTWJM-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1ccccc1Cl ZINC001568793458 1124806380 /nfs/dbraw/zinc/80/63/80/1124806380.db2.gz MGFIXPTVNLKTAE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299226 /nfs/dbraw/zinc/29/92/26/465299226.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H](O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299229 /nfs/dbraw/zinc/29/92/29/465299229.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H](O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299232 /nfs/dbraw/zinc/29/92/32/465299232.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330243114 465584174 /nfs/dbraw/zinc/58/41/74/465584174.db2.gz CKRPTJIUUOYQQA-CVEARBPZSA-N 2 1 331.464 2.062 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366795207 465938985 /nfs/dbraw/zinc/93/89/85/465938985.db2.gz NBDZIBBFRFRBAE-RBUKOAKNSA-N 2 1 343.446 2.032 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366795207 465938993 /nfs/dbraw/zinc/93/89/93/465938993.db2.gz NBDZIBBFRFRBAE-RBUKOAKNSA-N 2 1 343.446 2.032 10 30 EEEEMP CCO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451549516 467259665 /nfs/dbraw/zinc/25/96/65/467259665.db2.gz WBYJLCPTWZPWFR-WTGUMLROSA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451549516 467259670 /nfs/dbraw/zinc/25/96/70/467259670.db2.gz WBYJLCPTWZPWFR-WTGUMLROSA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451549516 467259673 /nfs/dbraw/zinc/25/96/73/467259673.db2.gz WBYJLCPTWZPWFR-WTGUMLROSA-N 2 1 336.520 2.484 10 30 EEEEMP N#CC1(C[C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482282 467685571 /nfs/dbraw/zinc/68/55/71/467685571.db2.gz CHWLVPNMKIEERL-OTWHNJEPSA-N 2 1 325.456 2.105 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482282 467685576 /nfs/dbraw/zinc/68/55/76/467685576.db2.gz CHWLVPNMKIEERL-OTWHNJEPSA-N 2 1 325.456 2.105 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482282 467685580 /nfs/dbraw/zinc/68/55/80/467685580.db2.gz CHWLVPNMKIEERL-OTWHNJEPSA-N 2 1 325.456 2.105 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000594444339 468590291 /nfs/dbraw/zinc/59/02/91/468590291.db2.gz PFJAGYZCEXIEMS-JKSUJKDBSA-N 2 1 334.851 2.224 10 30 EEEEMP Cc1c(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)nc2ccccc12 ZINC000596426031 469262868 /nfs/dbraw/zinc/26/28/68/469262868.db2.gz ZROTZYWTCFUOAX-UHFFFAOYSA-N 2 1 325.460 2.710 10 30 EEEEMP Cc1c(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)nc2ccccc12 ZINC000596426031 469262872 /nfs/dbraw/zinc/26/28/72/469262872.db2.gz ZROTZYWTCFUOAX-UHFFFAOYSA-N 2 1 325.460 2.710 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000663669284 471466124 /nfs/dbraw/zinc/46/61/24/471466124.db2.gz WFFLKXBIBFNMEC-MSOLQXFVSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485658970 1191879123 /nfs/dbraw/zinc/87/91/23/1191879123.db2.gz WOCYIQQTMWLLIL-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485658970 1191879126 /nfs/dbraw/zinc/87/91/26/1191879126.db2.gz WOCYIQQTMWLLIL-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001266882185 1177695800 /nfs/dbraw/zinc/69/58/00/1177695800.db2.gz DFMVQEAGNKNQQA-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC001691349959 1177949434 /nfs/dbraw/zinc/94/94/34/1177949434.db2.gz HTSDEVUPXIZXNQ-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC001691349959 1177949442 /nfs/dbraw/zinc/94/94/42/1177949442.db2.gz HTSDEVUPXIZXNQ-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267102247 1178244828 /nfs/dbraw/zinc/24/48/28/1178244828.db2.gz YXQSVFUMXZZMSK-UXHICEINSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267102247 1178244837 /nfs/dbraw/zinc/24/48/37/1178244837.db2.gz YXQSVFUMXZZMSK-UXHICEINSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267102247 1178244845 /nfs/dbraw/zinc/24/48/45/1178244845.db2.gz YXQSVFUMXZZMSK-UXHICEINSA-N 2 1 339.483 2.055 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691472683 1178906348 /nfs/dbraw/zinc/90/63/48/1178906348.db2.gz BYNAHVYJIYWZDD-NZSAHSFTSA-N 2 1 327.472 2.187 10 30 EEEEMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406444 1181237646 /nfs/dbraw/zinc/23/76/46/1181237646.db2.gz SLXJXBQRBZKTCP-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406444 1181237652 /nfs/dbraw/zinc/23/76/52/1181237652.db2.gz SLXJXBQRBZKTCP-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268115839 1181761207 /nfs/dbraw/zinc/76/12/07/1181761207.db2.gz YVTWMVDPIWDEAO-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820649 1182750071 /nfs/dbraw/zinc/75/00/71/1182750071.db2.gz GWTDTIUUFVKEEF-OALUTQOASA-N 2 1 342.487 2.417 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268547122 1183229461 /nfs/dbraw/zinc/22/94/61/1183229461.db2.gz FHIDIFNICULYMM-UEKDZROGSA-N 2 1 340.471 2.195 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268547122 1183229466 /nfs/dbraw/zinc/22/94/66/1183229466.db2.gz FHIDIFNICULYMM-UEKDZROGSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269615184 1184439300 /nfs/dbraw/zinc/43/93/00/1184439300.db2.gz PFYOHNDZYCAHLD-OXQOHEQNSA-N 2 1 331.504 2.149 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001271424350 1186209756 /nfs/dbraw/zinc/20/97/56/1186209756.db2.gz CZLXSAXCBVOMDG-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@H+](C)CCC)CC2)CC1 ZINC001482509098 1186426889 /nfs/dbraw/zinc/42/68/89/1186426889.db2.gz QLAONJWNNXCULW-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001483019468 1188006639 /nfs/dbraw/zinc/00/66/39/1188006639.db2.gz KBNKDZKTYCBTGJ-RURPWVQCSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001483019468 1188006642 /nfs/dbraw/zinc/00/66/42/1188006642.db2.gz KBNKDZKTYCBTGJ-RURPWVQCSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](CC)c1ccccc1 ZINC001483019923 1188007466 /nfs/dbraw/zinc/00/74/66/1188007466.db2.gz RDMFHEPDYDSYLS-NNKPGIQBSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](CC)c1ccccc1 ZINC001483019923 1188007470 /nfs/dbraw/zinc/00/74/70/1188007470.db2.gz RDMFHEPDYDSYLS-NNKPGIQBSA-N 2 1 339.483 2.497 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2ccncc2)c1 ZINC001483401522 1190446951 /nfs/dbraw/zinc/44/69/51/1190446951.db2.gz RVATZXAGLNBNMU-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483401522 1190446953 /nfs/dbraw/zinc/44/69/53/1190446953.db2.gz RVATZXAGLNBNMU-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483401522 1190446957 /nfs/dbraw/zinc/44/69/57/1190446957.db2.gz RVATZXAGLNBNMU-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001483422378 1190469454 /nfs/dbraw/zinc/46/94/54/1190469454.db2.gz WMMKIKDCFURXEC-SFHVURJKSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001483743598 1190895354 /nfs/dbraw/zinc/89/53/54/1190895354.db2.gz XSBMKYATSRBRCH-HKUYNNGSSA-N 2 1 339.483 2.392 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001483743598 1190895357 /nfs/dbraw/zinc/89/53/57/1190895357.db2.gz XSBMKYATSRBRCH-HKUYNNGSSA-N 2 1 339.483 2.392 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001484096829 1191209286 /nfs/dbraw/zinc/20/92/86/1191209286.db2.gz WCGDKMRVCMJGMD-HKUYNNGSSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001484096829 1191209289 /nfs/dbraw/zinc/20/92/89/1191209289.db2.gz WCGDKMRVCMJGMD-HKUYNNGSSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CCN[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001484325062 1191305763 /nfs/dbraw/zinc/30/57/63/1191305763.db2.gz XOPDXMVQUPATDL-RBUKOAKNSA-N 2 1 327.472 2.113 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180469 1198405388 /nfs/dbraw/zinc/40/53/88/1198405388.db2.gz DVILDYUTCMYQRP-KBPBESRZSA-N 2 1 335.414 2.273 10 30 EEEEMP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410949454 1198615193 /nfs/dbraw/zinc/61/51/93/1198615193.db2.gz FXOQPXGUIKDSNR-KGLIPLIRSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275135089 1205265007 /nfs/dbraw/zinc/26/50/07/1205265007.db2.gz FYSGYPOUHFNEIE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275135089 1205265008 /nfs/dbraw/zinc/26/50/08/1205265008.db2.gz FYSGYPOUHFNEIE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001275135089 1205265009 /nfs/dbraw/zinc/26/50/09/1205265009.db2.gz FYSGYPOUHFNEIE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000928656269 1206408443 /nfs/dbraw/zinc/40/84/43/1206408443.db2.gz PWOLFQWMMFKYDN-IBGZPJMESA-N 2 1 343.446 2.004 10 30 EEEEMP C#CCNC(=O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933551442 1207786416 /nfs/dbraw/zinc/78/64/16/1207786416.db2.gz WWRKHDHUNWGKGS-UHFFFAOYSA-N 2 1 339.483 2.213 10 30 EEEEMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296843 1258913146 /nfs/dbraw/zinc/91/31/46/1258913146.db2.gz GJAAAZICZOLMGN-VQIMIIECSA-N 2 1 342.487 2.227 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001489339621 1290524462 /nfs/dbraw/zinc/52/44/62/1290524462.db2.gz QUKYATNFLGLIOG-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490773337 1291715997 /nfs/dbraw/zinc/71/59/97/1291715997.db2.gz ZORXMFIQDZWCTM-GOEBONIOSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490773337 1291716006 /nfs/dbraw/zinc/71/60/06/1291716006.db2.gz ZORXMFIQDZWCTM-GOEBONIOSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490773337 1291716016 /nfs/dbraw/zinc/71/60/16/1291716016.db2.gz ZORXMFIQDZWCTM-GOEBONIOSA-N 2 1 327.900 2.251 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276838833 1299862221 /nfs/dbraw/zinc/86/22/21/1299862221.db2.gz BZSNDQGRBCBORC-OTWHNJEPSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294272 1302231181 /nfs/dbraw/zinc/23/11/81/1302231181.db2.gz JNZXNRIZIUNGSY-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001278094923 1305926242 /nfs/dbraw/zinc/92/62/42/1305926242.db2.gz PPNHAIWDVVZRKR-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001278094923 1305926245 /nfs/dbraw/zinc/92/62/45/1305926245.db2.gz PPNHAIWDVVZRKR-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278702627 1317793856 /nfs/dbraw/zinc/79/38/56/1317793856.db2.gz AUESPYUASVJFAO-KBPBESRZSA-N 2 1 335.414 2.131 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281070281 1322178398 /nfs/dbraw/zinc/17/83/98/1322178398.db2.gz FTBBQPKVQKGFOM-APWZRJJASA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281070281 1322178402 /nfs/dbraw/zinc/17/84/02/1322178402.db2.gz FTBBQPKVQKGFOM-APWZRJJASA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281070281 1322178407 /nfs/dbraw/zinc/17/84/07/1322178407.db2.gz FTBBQPKVQKGFOM-APWZRJJASA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281070281 1322178424 /nfs/dbraw/zinc/17/84/24/1322178424.db2.gz FTBBQPKVQKGFOM-APWZRJJASA-N 2 1 327.472 2.057 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001262970679 1322410532 /nfs/dbraw/zinc/41/05/32/1322410532.db2.gz PLEMRSMANAXJFX-DLBZAZTESA-N 2 1 346.523 2.194 10 30 EEEEMP C=CC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968072 /nfs/dbraw/zinc/96/80/72/1322968072.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968076 /nfs/dbraw/zinc/96/80/76/1322968076.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968077 /nfs/dbraw/zinc/96/80/77/1322968077.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC=C(C)C)C2CC2)CC1 ZINC001265183919 1322974291 /nfs/dbraw/zinc/97/42/91/1322974291.db2.gz KJGJCMQIBNHLTP-UHFFFAOYSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265336294 1323084859 /nfs/dbraw/zinc/08/48/59/1323084859.db2.gz VPBRYXGLLZUBKY-OALUTQOASA-N 2 1 339.483 2.283 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407136 1323135550 /nfs/dbraw/zinc/13/55/50/1323135550.db2.gz RDEIBAFQOZYJRT-OQIJWPOYSA-N 2 1 331.504 2.358 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265451495 1323162653 /nfs/dbraw/zinc/16/26/53/1323162653.db2.gz QPFNSXCLFJBSCA-INIZCTEOSA-N 2 1 325.416 2.038 10 30 EEEEMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281073085 1324753566 /nfs/dbraw/zinc/75/35/66/1324753566.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281073085 1324753570 /nfs/dbraw/zinc/75/35/70/1324753570.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281073085 1324753576 /nfs/dbraw/zinc/75/35/76/1324753576.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 2 1 341.499 2.447 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282442587 1325722477 /nfs/dbraw/zinc/72/24/77/1325722477.db2.gz CDTRPKCGRSZUSL-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282442587 1325722479 /nfs/dbraw/zinc/72/24/79/1325722479.db2.gz CDTRPKCGRSZUSL-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282442587 1325722481 /nfs/dbraw/zinc/72/24/81/1325722481.db2.gz CDTRPKCGRSZUSL-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282442587 1325722483 /nfs/dbraw/zinc/72/24/83/1325722483.db2.gz CDTRPKCGRSZUSL-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001282567154 1325742016 /nfs/dbraw/zinc/74/20/16/1325742016.db2.gz GYBNHISTUUTLOE-VQIMIIECSA-N 2 1 339.499 2.295 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001282858496 1325808938 /nfs/dbraw/zinc/80/89/38/1325808938.db2.gz KMXFPWQFAGIQER-VQHPVUNQSA-N 2 1 330.476 2.267 10 30 EEEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001282858496 1325808940 /nfs/dbraw/zinc/80/89/40/1325808940.db2.gz KMXFPWQFAGIQER-VQHPVUNQSA-N 2 1 330.476 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283618079 1326165028 /nfs/dbraw/zinc/16/50/28/1326165028.db2.gz OTPNCSWESOMLBV-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283618079 1326165031 /nfs/dbraw/zinc/16/50/31/1326165031.db2.gz OTPNCSWESOMLBV-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001284095205 1326404217 /nfs/dbraw/zinc/40/42/17/1326404217.db2.gz DQRYCSPQQMLUGW-FGTMMUONSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001284291688 1326491136 /nfs/dbraw/zinc/49/11/36/1326491136.db2.gz KGFFEICKELFRTR-IRXDYDNUSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001284291688 1326491138 /nfs/dbraw/zinc/49/11/38/1326491138.db2.gz KGFFEICKELFRTR-IRXDYDNUSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810969 1331907107 /nfs/dbraw/zinc/90/71/07/1331907107.db2.gz MNWLHEKVTNNHQN-SJORKVTESA-N 2 1 339.499 2.296 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873968 1331943421 /nfs/dbraw/zinc/94/34/21/1331943421.db2.gz IUZUVZFCLLPBLL-YOEHRIQHSA-N 2 1 334.464 2.285 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001316899644 1331964960 /nfs/dbraw/zinc/96/49/60/1331964960.db2.gz RITJXCJQKZUFBK-UHFFFAOYSA-N 2 1 341.499 2.208 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001318834376 1332607316 /nfs/dbraw/zinc/60/73/16/1332607316.db2.gz CLRZMTLPQAWERW-KRWDZBQOSA-N 2 1 330.476 2.248 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001321098558 1333019765 /nfs/dbraw/zinc/01/97/65/1333019765.db2.gz WQBZULVYIZIUIV-MPNWYJEXSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324397561 1333674841 /nfs/dbraw/zinc/67/48/41/1333674841.db2.gz QENFBYPNRQTRAD-CTHFIRIDSA-N 2 1 337.895 2.005 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001324936971 1333790980 /nfs/dbraw/zinc/79/09/80/1333790980.db2.gz QWLWTZNJPRUJRT-WIYYLYMNSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936971 1333790984 /nfs/dbraw/zinc/79/09/84/1333790984.db2.gz QWLWTZNJPRUJRT-WIYYLYMNSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936971 1333790986 /nfs/dbraw/zinc/79/09/86/1333790986.db2.gz QWLWTZNJPRUJRT-WIYYLYMNSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901863 1333990908 /nfs/dbraw/zinc/99/09/08/1333990908.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901863 1333990912 /nfs/dbraw/zinc/99/09/12/1333990912.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901863 1333990913 /nfs/dbraw/zinc/99/09/13/1333990913.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230050 1334808653 /nfs/dbraw/zinc/80/86/53/1334808653.db2.gz KSUWWMSYVGWUOZ-GOSISDBHSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230050 1334808656 /nfs/dbraw/zinc/80/86/56/1334808656.db2.gz KSUWWMSYVGWUOZ-GOSISDBHSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230050 1334808658 /nfs/dbraw/zinc/80/86/58/1334808658.db2.gz KSUWWMSYVGWUOZ-GOSISDBHSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230050 1334808663 /nfs/dbraw/zinc/80/86/63/1334808663.db2.gz KSUWWMSYVGWUOZ-GOSISDBHSA-N 2 1 329.488 2.174 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1C ZINC001331944453 1335683414 /nfs/dbraw/zinc/68/34/14/1335683414.db2.gz QLZJGQRAOIEHLD-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001332031679 1335710435 /nfs/dbraw/zinc/71/04/35/1335710435.db2.gz YPHOYRUFCABICE-HUUCEWRRSA-N 2 1 332.448 2.039 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342254705 1337311925 /nfs/dbraw/zinc/31/19/25/1337311925.db2.gz YQJXXCWXGWEFMV-MRXNPFEDSA-N 2 1 346.523 2.240 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502506747 1342200538 /nfs/dbraw/zinc/20/05/38/1342200538.db2.gz XVCRIRXPXLUXST-QGZVFWFLSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059495 1342689062 /nfs/dbraw/zinc/68/90/62/1342689062.db2.gz OQCBTOUWWIZUQE-UYAOXDASSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC=C)c1ccccc1 ZINC001567659554 1342806358 /nfs/dbraw/zinc/80/63/58/1342806358.db2.gz ILMPONZJZQUTTR-MOPGFXCFSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC=C)c1ccccc1 ZINC001567659554 1342806363 /nfs/dbraw/zinc/80/63/63/1342806363.db2.gz ILMPONZJZQUTTR-MOPGFXCFSA-N 2 1 325.456 2.107 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001569518089 1342891353 /nfs/dbraw/zinc/89/13/53/1342891353.db2.gz BUQDNUGVBALAMD-CABCVRRESA-N 2 1 334.464 2.285 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001676074428 1357100769 /nfs/dbraw/zinc/10/07/69/1357100769.db2.gz MHAQAIOLIUHSEL-UHFFFAOYSA-N 2 1 327.472 2.308 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821062 1357214128 /nfs/dbraw/zinc/21/41/28/1357214128.db2.gz QLAWQWBXEBLKPX-AZUAARDMSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821062 1357214131 /nfs/dbraw/zinc/21/41/31/1357214131.db2.gz QLAWQWBXEBLKPX-AZUAARDMSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821062 1357214132 /nfs/dbraw/zinc/21/41/32/1357214132.db2.gz QLAWQWBXEBLKPX-AZUAARDMSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821062 1357214135 /nfs/dbraw/zinc/21/41/35/1357214135.db2.gz QLAWQWBXEBLKPX-AZUAARDMSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621445 1357375370 /nfs/dbraw/zinc/37/53/70/1357375370.db2.gz QNCZFDAQEOUUIP-RBUKOAKNSA-N 2 1 349.519 2.058 10 30 EEEEMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001656252038 1354218839 /nfs/dbraw/zinc/21/88/39/1354218839.db2.gz QJIXUFZJEWIIQA-HSALFYBXSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001656252038 1354218841 /nfs/dbraw/zinc/21/88/41/1354218841.db2.gz QJIXUFZJEWIIQA-HSALFYBXSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001656252038 1354218844 /nfs/dbraw/zinc/21/88/44/1354218844.db2.gz QJIXUFZJEWIIQA-HSALFYBXSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001656252038 1354218846 /nfs/dbraw/zinc/21/88/46/1354218846.db2.gz QJIXUFZJEWIIQA-HSALFYBXSA-N 2 1 339.483 2.078 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661690886 1354673198 /nfs/dbraw/zinc/67/31/98/1354673198.db2.gz XAGFYHKANBQAFV-CALCHBBNSA-N 2 1 347.890 2.269 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001664684017 1355210967 /nfs/dbraw/zinc/21/09/67/1355210967.db2.gz VTCFYRZTWMDQNO-GOSISDBHSA-N 2 1 330.476 2.308 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001664684017 1355210970 /nfs/dbraw/zinc/21/09/70/1355210970.db2.gz VTCFYRZTWMDQNO-GOSISDBHSA-N 2 1 330.476 2.308 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001666124912 1355459660 /nfs/dbraw/zinc/45/96/60/1355459660.db2.gz JBSSMOKAMIORMI-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001671481208 1356347007 /nfs/dbraw/zinc/34/70/07/1356347007.db2.gz CWBHLXIBBKTLLL-KRWDZBQOSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC[NH+](CCC)CC1 ZINC001671491425 1356349040 /nfs/dbraw/zinc/34/90/40/1356349040.db2.gz AUFKXDFPOJMXGD-KRWDZBQOSA-N 2 1 342.487 2.090 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001699265694 1405306848 /nfs/dbraw/zinc/30/68/48/1405306848.db2.gz SGBBUAAPJGJBMB-NNTXTVRGSA-N 2 1 344.297 2.031 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780390 779302138 /nfs/dbraw/zinc/30/21/38/779302138.db2.gz PTOJQTAXQUGIEI-OAHLLOKOSA-N 2 1 333.501 2.273 10 30 EEEEMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001566059397 1125534124 /nfs/dbraw/zinc/53/41/24/1125534124.db2.gz QOVBAJMDUFAEFH-UHFFFAOYSA-N 2 1 344.459 2.239 10 30 EEEEMP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001439622664 1092535400 /nfs/dbraw/zinc/53/54/00/1092535400.db2.gz SNYGVHFBFVZTQO-GOSISDBHSA-N 2 1 340.471 2.171 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001439622664 1092535406 /nfs/dbraw/zinc/53/54/06/1092535406.db2.gz SNYGVHFBFVZTQO-GOSISDBHSA-N 2 1 340.471 2.171 10 30 EEEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001440353534 1093508729 /nfs/dbraw/zinc/50/87/29/1093508729.db2.gz HJXLCMWPGKXHDA-CKEIUWERSA-N 2 1 345.890 2.436 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001449410301 1094393076 /nfs/dbraw/zinc/39/30/76/1094393076.db2.gz NBMXPWLBNWCDIX-HNNXBMFYSA-N 2 1 327.900 2.440 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC001441938006 1096132114 /nfs/dbraw/zinc/13/21/14/1096132114.db2.gz REKITJPYCFNNSD-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637327 /nfs/dbraw/zinc/63/73/27/1098637327.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637330 /nfs/dbraw/zinc/63/73/30/1098637330.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637333 /nfs/dbraw/zinc/63/73/33/1098637333.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797742 1099712125 /nfs/dbraw/zinc/71/21/25/1099712125.db2.gz WQXPRVXQZBLNMU-APWZRJJASA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496144907 1102132771 /nfs/dbraw/zinc/13/27/71/1102132771.db2.gz JNHTYQDZTZSRKY-FCEWJHQRSA-N 2 1 342.487 2.225 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495058077 1104695740 /nfs/dbraw/zinc/69/57/40/1104695740.db2.gz MQJHIHPSEOCDMP-XJKSGUPXSA-N 2 1 333.879 2.436 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001480715396 1106945367 /nfs/dbraw/zinc/94/53/67/1106945367.db2.gz VUSZKPWCSPBBLV-HXUWFJFHSA-N 2 1 341.499 2.331 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001480715394 1106947651 /nfs/dbraw/zinc/94/76/51/1106947651.db2.gz VUSZKPWCSPBBLV-FQEVSTJZSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001480771077 1107083492 /nfs/dbraw/zinc/08/34/92/1107083492.db2.gz OMYZTCGUFWYCKM-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001480771077 1107083507 /nfs/dbraw/zinc/08/35/07/1107083507.db2.gz OMYZTCGUFWYCKM-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001493829168 1108711587 /nfs/dbraw/zinc/71/15/87/1108711587.db2.gz DWECJHXLCQAEMT-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001493829168 1108711601 /nfs/dbraw/zinc/71/16/01/1108711601.db2.gz DWECJHXLCQAEMT-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001493841146 1108725814 /nfs/dbraw/zinc/72/58/14/1108725814.db2.gz RHEORCHLJSDXAQ-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001500038122 1112587855 /nfs/dbraw/zinc/58/78/55/1112587855.db2.gz VGVDGAFFFHKZOW-IBGZPJMESA-N 2 1 333.520 2.441 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CCCF)CC1 ZINC001500051288 1112593809 /nfs/dbraw/zinc/59/38/09/1112593809.db2.gz CKJANVGKLLSYMJ-UHFFFAOYSA-N 2 1 348.466 2.292 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCCC)C3)CC1 ZINC001501012946 1113166508 /nfs/dbraw/zinc/16/65/08/1113166508.db2.gz FQDWODLEDGMYCQ-SXLOBPIMSA-N 2 1 345.531 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651408 1113415959 /nfs/dbraw/zinc/41/59/59/1113415959.db2.gz OOWCTFRQBVBYQV-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccsc2)CC1 ZINC001506065433 1114390009 /nfs/dbraw/zinc/39/00/09/1114390009.db2.gz OXKXLZFSVPEHTM-HNNXBMFYSA-N 2 1 333.501 2.030 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001568146422 1124326385 /nfs/dbraw/zinc/32/63/85/1124326385.db2.gz XTIGRVBWTOHVQL-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000109750914 204291831 /nfs/dbraw/zinc/29/18/31/204291831.db2.gz YSDLZDKHEGJGGX-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000109750914 204291837 /nfs/dbraw/zinc/29/18/37/204291837.db2.gz YSDLZDKHEGJGGX-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126402 468451994 /nfs/dbraw/zinc/45/19/94/468451994.db2.gz BNVBUVSQQGIYCQ-UHFFFAOYSA-N 2 1 326.488 2.311 10 30 EEEEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440722 468589357 /nfs/dbraw/zinc/58/93/57/468589357.db2.gz IDTDJHWBWGAOCS-IBGZPJMESA-N 2 1 342.487 2.441 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(-n2cccn2)c1C#N ZINC000596425816 469262681 /nfs/dbraw/zinc/26/26/81/469262681.db2.gz WCKFRWCRHRPKST-UHFFFAOYSA-N 2 1 326.448 2.039 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(-n2cccn2)c1C#N ZINC000596425816 469262686 /nfs/dbraw/zinc/26/26/86/469262686.db2.gz WCKFRWCRHRPKST-UHFFFAOYSA-N 2 1 326.448 2.039 10 30 EEEEMP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262329081 685367059 /nfs/dbraw/zinc/36/70/59/685367059.db2.gz AOHGJUDDHXFACW-MHGNSNQHSA-N 2 1 336.524 2.370 10 30 EEEEMP CC[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261935906 682427154 /nfs/dbraw/zinc/42/71/54/682427154.db2.gz CKQTUUSIGCKJPP-IBGZPJMESA-N 2 1 336.524 2.329 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266247172 1176020238 /nfs/dbraw/zinc/02/02/38/1176020238.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266247172 1176020248 /nfs/dbraw/zinc/02/02/48/1176020248.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266247172 1176020260 /nfs/dbraw/zinc/02/02/60/1176020260.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247172 1176020268 /nfs/dbraw/zinc/02/02/68/1176020268.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247172 1176020281 /nfs/dbraw/zinc/02/02/81/1176020281.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691251354 1177772107 /nfs/dbraw/zinc/77/21/07/1177772107.db2.gz VBPONUHZKFSLFJ-DAYGRLMNSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001267115498 1178277981 /nfs/dbraw/zinc/27/79/81/1178277981.db2.gz VJCHPLCQEILJLD-HFTQHKIXSA-N 2 1 337.895 2.007 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267314322 1178740637 /nfs/dbraw/zinc/74/06/37/1178740637.db2.gz NIBBQLMCTPIENK-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001691462958 1178886453 /nfs/dbraw/zinc/88/64/53/1178886453.db2.gz BEWDNELVYLSIPJ-ZACQAIPSSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC001267520827 1179251050 /nfs/dbraw/zinc/25/10/50/1179251050.db2.gz TXJGXEIQEOFATO-IEBWSBKVSA-N 2 1 338.455 2.387 10 30 EEEEMP CCN(CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480993078 1179444301 /nfs/dbraw/zinc/44/43/01/1179444301.db2.gz MMIVMYCHOXYFNQ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480993078 1179444306 /nfs/dbraw/zinc/44/43/06/1179444306.db2.gz MMIVMYCHOXYFNQ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480993078 1179444314 /nfs/dbraw/zinc/44/43/14/1179444314.db2.gz MMIVMYCHOXYFNQ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480993078 1179444317 /nfs/dbraw/zinc/44/43/17/1179444317.db2.gz MMIVMYCHOXYFNQ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001481059782 1179652085 /nfs/dbraw/zinc/65/20/85/1179652085.db2.gz PIKJLEHCIFNRPH-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001481059782 1179652089 /nfs/dbraw/zinc/65/20/89/1179652089.db2.gz PIKJLEHCIFNRPH-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001481059782 1179652094 /nfs/dbraw/zinc/65/20/94/1179652094.db2.gz PIKJLEHCIFNRPH-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809222 1180563145 /nfs/dbraw/zinc/56/31/45/1180563145.db2.gz HHCXFWUJLRGWKI-RTBURBONSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001268039150 1181390843 /nfs/dbraw/zinc/39/08/43/1181390843.db2.gz VRWSEHBQJRLTFU-SFHVURJKSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268192860 1181986640 /nfs/dbraw/zinc/98/66/40/1181986640.db2.gz SOZNWHWQABZFEL-MAUKXSAKSA-N 2 1 346.475 2.287 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)CCc2ccccc2)C1 ZINC001481741016 1182469308 /nfs/dbraw/zinc/46/93/08/1182469308.db2.gz HSFSDLWHBYOXBL-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001481741016 1182469311 /nfs/dbraw/zinc/46/93/11/1182469311.db2.gz HSFSDLWHBYOXBL-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001481741016 1182469313 /nfs/dbraw/zinc/46/93/13/1182469313.db2.gz HSFSDLWHBYOXBL-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001481741016 1182469317 /nfs/dbraw/zinc/46/93/17/1182469317.db2.gz HSFSDLWHBYOXBL-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001481741016 1182469321 /nfs/dbraw/zinc/46/93/21/1182469321.db2.gz HSFSDLWHBYOXBL-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759840 1183675191 /nfs/dbraw/zinc/67/51/91/1183675191.db2.gz OZVURCWZXVHWAU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759840 1183675193 /nfs/dbraw/zinc/67/51/93/1183675193.db2.gz OZVURCWZXVHWAU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001268759840 1183675196 /nfs/dbraw/zinc/67/51/96/1183675196.db2.gz OZVURCWZXVHWAU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001268759840 1183675199 /nfs/dbraw/zinc/67/51/99/1183675199.db2.gz OZVURCWZXVHWAU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268848138 1183764311 /nfs/dbraw/zinc/76/43/11/1183764311.db2.gz RMLHVSCGKFWVQL-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364423 1185048763 /nfs/dbraw/zinc/04/87/63/1185048763.db2.gz PAQHLNKOWXDZNI-HDICACEKSA-N 2 1 331.504 2.362 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001486151998 1193702602 /nfs/dbraw/zinc/70/26/02/1193702602.db2.gz ZQXJEKWOMOXZCJ-PBHICJAKSA-N 2 1 325.884 2.194 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001486151998 1193702604 /nfs/dbraw/zinc/70/26/04/1193702604.db2.gz ZQXJEKWOMOXZCJ-PBHICJAKSA-N 2 1 325.884 2.194 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001482329879 1185412259 /nfs/dbraw/zinc/41/22/59/1185412259.db2.gz FOUWCOUJECUMHP-XJKSGUPXSA-N 2 1 333.879 2.388 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455840 1185873889 /nfs/dbraw/zinc/87/38/89/1185873889.db2.gz JPJHIYHRBNMOQY-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483930156 1191122012 /nfs/dbraw/zinc/12/20/12/1191122012.db2.gz ZDOWCPBWHDUCDX-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](CCC)CC1 ZINC001483992327 1191141031 /nfs/dbraw/zinc/14/10/31/1191141031.db2.gz KQVJPVCKOVCREB-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](CCC)CC1 ZINC001483992327 1191141033 /nfs/dbraw/zinc/14/10/33/1191141033.db2.gz KQVJPVCKOVCREB-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001484715400 1191480319 /nfs/dbraw/zinc/48/03/19/1191480319.db2.gz OUEDKMOKIAEMEA-HUUCEWRRSA-N 2 1 333.879 2.390 10 30 EEEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001484923385 1191576639 /nfs/dbraw/zinc/57/66/39/1191576639.db2.gz NSFQMCMIOFUHBE-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001486161628 1193707237 /nfs/dbraw/zinc/70/72/37/1193707237.db2.gz PAOPRMQRVIHYAG-HYVNUMGLSA-N 2 1 346.475 2.143 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001410380788 1197776286 /nfs/dbraw/zinc/77/62/86/1197776286.db2.gz MGPOAXPMOOZRPA-UONOGXRCSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741337 1199750798 /nfs/dbraw/zinc/75/07/98/1199750798.db2.gz QMUWJAXZAMDKPY-SJORKVTESA-N 2 1 335.879 2.137 10 30 EEEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866669201 1201575217 /nfs/dbraw/zinc/57/52/17/1201575217.db2.gz UIZOIQSDWHZXMV-RBUKOAKNSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866669201 1201575221 /nfs/dbraw/zinc/57/52/21/1201575221.db2.gz UIZOIQSDWHZXMV-RBUKOAKNSA-N 2 1 341.455 2.484 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000881625966 1201728296 /nfs/dbraw/zinc/72/82/96/1201728296.db2.gz ADVQOXAVKXHZIM-SFHVURJKSA-N 2 1 331.504 2.341 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000881625966 1201728298 /nfs/dbraw/zinc/72/82/98/1201728298.db2.gz ADVQOXAVKXHZIM-SFHVURJKSA-N 2 1 331.504 2.341 10 30 EEEEMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001274368386 1205012121 /nfs/dbraw/zinc/01/21/21/1205012121.db2.gz MYHOLPSVXUMZJP-GOSISDBHSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274731767 1205145484 /nfs/dbraw/zinc/14/54/84/1205145484.db2.gz GUZODWOTLIQERY-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274731767 1205145485 /nfs/dbraw/zinc/14/54/85/1205145485.db2.gz GUZODWOTLIQERY-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001274960616 1205217984 /nfs/dbraw/zinc/21/79/84/1205217984.db2.gz RDUFPGWNSUTELX-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001274960616 1205217985 /nfs/dbraw/zinc/21/79/85/1205217985.db2.gz RDUFPGWNSUTELX-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001274960616 1205217987 /nfs/dbraw/zinc/21/79/87/1205217987.db2.gz RDUFPGWNSUTELX-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001275573941 1205423311 /nfs/dbraw/zinc/42/33/11/1205423311.db2.gz KOWHDTBELZGEOZ-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001275573941 1205423313 /nfs/dbraw/zinc/42/33/13/1205423313.db2.gz KOWHDTBELZGEOZ-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001275573941 1205423314 /nfs/dbraw/zinc/42/33/14/1205423314.db2.gz KOWHDTBELZGEOZ-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001275573941 1205423316 /nfs/dbraw/zinc/42/33/16/1205423316.db2.gz KOWHDTBELZGEOZ-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001275858776 1205568611 /nfs/dbraw/zinc/56/86/11/1205568611.db2.gz PFYRUPUNYMNDSI-LPHOPBHVSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001275858776 1205568613 /nfs/dbraw/zinc/56/86/13/1205568613.db2.gz PFYRUPUNYMNDSI-LPHOPBHVSA-N 2 1 347.478 2.200 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080495 1258646642 /nfs/dbraw/zinc/64/66/42/1258646642.db2.gz OMHSIHCZCZLWOL-ZCNNSNEGSA-N 2 1 339.483 2.149 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001491480478 1259124550 /nfs/dbraw/zinc/12/45/50/1259124550.db2.gz JQDWPAZSMMJVJU-HNNXBMFYSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCCC)C2)CC1 ZINC001490578989 1291473925 /nfs/dbraw/zinc/47/39/25/1291473925.db2.gz AIJZFNRIQOIFEG-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001276878876 1300066873 /nfs/dbraw/zinc/06/68/73/1300066873.db2.gz RWFCXGXFXBHNKC-IAGOWNOFSA-N 2 1 342.487 2.414 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001276923577 1300282775 /nfs/dbraw/zinc/28/27/75/1300282775.db2.gz KMGKAKQXDMSMQG-HNNXBMFYSA-N 2 1 332.448 2.041 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001276923577 1300282785 /nfs/dbraw/zinc/28/27/85/1300282785.db2.gz KMGKAKQXDMSMQG-HNNXBMFYSA-N 2 1 332.448 2.041 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001277435741 1303003803 /nfs/dbraw/zinc/00/38/03/1303003803.db2.gz UOYARHZZWZTCNK-UHFFFAOYSA-N 2 1 327.472 2.308 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001277475208 1303570055 /nfs/dbraw/zinc/57/00/55/1303570055.db2.gz XEDOFVKCIWRLRS-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001277475208 1303570060 /nfs/dbraw/zinc/57/00/60/1303570060.db2.gz XEDOFVKCIWRLRS-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCC)CC1 ZINC001278194042 1306241851 /nfs/dbraw/zinc/24/18/51/1306241851.db2.gz FYYHUZJZCXNAGZ-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001278532650 1317161662 /nfs/dbraw/zinc/16/16/62/1317161662.db2.gz HBLVYWBGUKYWAQ-YZGWKJHDSA-N 2 1 341.499 2.057 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001279031834 1319038263 /nfs/dbraw/zinc/03/82/63/1319038263.db2.gz SCWVNUHZWWWSJE-CVEARBPZSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231426 1323811446 /nfs/dbraw/zinc/81/14/46/1323811446.db2.gz HYNTVYHPLISFIY-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231426 1323811455 /nfs/dbraw/zinc/81/14/55/1323811455.db2.gz HYNTVYHPLISFIY-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001279590430 1323951390 /nfs/dbraw/zinc/95/13/90/1323951390.db2.gz BATVFNXJPQIWDR-KRWDZBQOSA-N 2 1 328.460 2.160 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001280198154 1324110959 /nfs/dbraw/zinc/11/09/59/1324110959.db2.gz NXEGNRBTSXUSOS-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001282273754 1325674211 /nfs/dbraw/zinc/67/42/11/1325674211.db2.gz AOEITWDNYXJIGT-ABHNRTSZSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001282273754 1325674212 /nfs/dbraw/zinc/67/42/12/1325674212.db2.gz AOEITWDNYXJIGT-ABHNRTSZSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773593 1325781933 /nfs/dbraw/zinc/78/19/33/1325781933.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001282773593 1325781936 /nfs/dbraw/zinc/78/19/36/1325781936.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001282773593 1325781940 /nfs/dbraw/zinc/78/19/40/1325781940.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282782382 1325785741 /nfs/dbraw/zinc/78/57/41/1325785741.db2.gz RSSDXEOHWDRATA-FQEVSTJZSA-N 2 1 349.519 2.132 10 30 EEEEMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282782382 1325785744 /nfs/dbraw/zinc/78/57/44/1325785744.db2.gz RSSDXEOHWDRATA-FQEVSTJZSA-N 2 1 349.519 2.132 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001284149845 1326435938 /nfs/dbraw/zinc/43/59/38/1326435938.db2.gz ZEDYLZVVEQVTEA-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001284149845 1326435939 /nfs/dbraw/zinc/43/59/39/1326435939.db2.gz ZEDYLZVVEQVTEA-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001284149845 1326435942 /nfs/dbraw/zinc/43/59/42/1326435942.db2.gz ZEDYLZVVEQVTEA-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001284149845 1326435944 /nfs/dbraw/zinc/43/59/44/1326435944.db2.gz ZEDYLZVVEQVTEA-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316660356 1329897308 /nfs/dbraw/zinc/89/73/08/1329897308.db2.gz MYHIWIWPWRJENF-FCEWJHQRSA-N 2 1 337.483 2.097 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682534 1330204329 /nfs/dbraw/zinc/20/43/29/1330204329.db2.gz MRVGVQSEFXEAQR-CZUORRHYSA-N 2 1 334.489 2.088 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001317471931 1331538021 /nfs/dbraw/zinc/53/80/21/1331538021.db2.gz ROJXAIBUOQZOTC-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001317471931 1331538022 /nfs/dbraw/zinc/53/80/22/1331538022.db2.gz ROJXAIBUOQZOTC-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001317471931 1331538023 /nfs/dbraw/zinc/53/80/23/1331538023.db2.gz ROJXAIBUOQZOTC-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001317471931 1331538024 /nfs/dbraw/zinc/53/80/24/1331538024.db2.gz ROJXAIBUOQZOTC-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317177517 1332115858 /nfs/dbraw/zinc/11/58/58/1332115858.db2.gz SDMKXYDBPPUVDY-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001317177517 1332115863 /nfs/dbraw/zinc/11/58/63/1332115863.db2.gz SDMKXYDBPPUVDY-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317177517 1332115866 /nfs/dbraw/zinc/11/58/66/1332115866.db2.gz SDMKXYDBPPUVDY-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317177517 1332115870 /nfs/dbraw/zinc/11/58/70/1332115870.db2.gz SDMKXYDBPPUVDY-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001317260324 1332156616 /nfs/dbraw/zinc/15/66/16/1332156616.db2.gz XRKCKNIIMMXQNA-GUYCJALGSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001317260324 1332156619 /nfs/dbraw/zinc/15/66/19/1332156619.db2.gz XRKCKNIIMMXQNA-GUYCJALGSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2 ZINC001319142390 1332655831 /nfs/dbraw/zinc/65/58/31/1332655831.db2.gz OYWHFLFGOIKWQQ-KRWDZBQOSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001324742030 1333750869 /nfs/dbraw/zinc/75/08/69/1333750869.db2.gz PPZCLLXNZXYVJS-KQPGTDLCSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001324742030 1333750874 /nfs/dbraw/zinc/75/08/74/1333750874.db2.gz PPZCLLXNZXYVJS-KQPGTDLCSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1CC ZINC001325366218 1333873476 /nfs/dbraw/zinc/87/34/76/1333873476.db2.gz LMHPSEWTVKAMNH-HXUWFJFHSA-N 2 1 341.499 2.361 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174128 1334240904 /nfs/dbraw/zinc/24/09/04/1334240904.db2.gz XFHSVQDTIPNFGL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174128 1334240909 /nfs/dbraw/zinc/24/09/09/1334240909.db2.gz XFHSVQDTIPNFGL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001327991350 1334375137 /nfs/dbraw/zinc/37/51/37/1334375137.db2.gz VCLWEBIURXHFFP-INIZCTEOSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001328734013 1334510463 /nfs/dbraw/zinc/51/04/63/1334510463.db2.gz URGLDPPYDLJOMS-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001328734013 1334510467 /nfs/dbraw/zinc/51/04/67/1334510467.db2.gz URGLDPPYDLJOMS-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001328734013 1334510471 /nfs/dbraw/zinc/51/04/71/1334510471.db2.gz URGLDPPYDLJOMS-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330916772 1334926454 /nfs/dbraw/zinc/92/64/54/1334926454.db2.gz OHPDSXBNOWROJW-YJBOKZPZSA-N 2 1 325.472 2.097 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331295648 1334992547 /nfs/dbraw/zinc/99/25/47/1334992547.db2.gz LPUXIJCOZCOUBO-SFHVURJKSA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668214027 1355900958 /nfs/dbraw/zinc/90/09/58/1355900958.db2.gz HOKMSDPXIZKMHY-IAGOWNOFSA-N 2 1 345.462 2.003 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001567745491 1342832305 /nfs/dbraw/zinc/83/23/05/1342832305.db2.gz QUASKZWCWJEDHB-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001649462168 1353518701 /nfs/dbraw/zinc/51/87/01/1353518701.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462168 1353518706 /nfs/dbraw/zinc/51/87/06/1353518706.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462168 1353518711 /nfs/dbraw/zinc/51/87/11/1353518711.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001673209694 1354183549 /nfs/dbraw/zinc/18/35/49/1354183549.db2.gz FSUBHQSUGBHZKP-SFHVURJKSA-N 2 1 325.472 2.404 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663528658 1354980280 /nfs/dbraw/zinc/98/02/80/1354980280.db2.gz SHIZFOKEAOBGTH-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663528658 1354980285 /nfs/dbraw/zinc/98/02/85/1354980285.db2.gz SHIZFOKEAOBGTH-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001664008638 1355072979 /nfs/dbraw/zinc/07/29/79/1355072979.db2.gz KSMVRRHFIGGBIN-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831156 1355238798 /nfs/dbraw/zinc/23/87/98/1355238798.db2.gz ZSTDBYDEWCRULF-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831156 1355238805 /nfs/dbraw/zinc/23/88/05/1355238805.db2.gz ZSTDBYDEWCRULF-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC/C=C\CCC)C1 ZINC001665642627 1355345964 /nfs/dbraw/zinc/34/59/64/1355345964.db2.gz XLKWDKBEXRNCKY-XSAZBNQGSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001665642627 1355345969 /nfs/dbraw/zinc/34/59/69/1355345969.db2.gz XLKWDKBEXRNCKY-XSAZBNQGSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001665642627 1355345972 /nfs/dbraw/zinc/34/59/72/1355345972.db2.gz XLKWDKBEXRNCKY-XSAZBNQGSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001665642627 1355345974 /nfs/dbraw/zinc/34/59/74/1355345974.db2.gz XLKWDKBEXRNCKY-XSAZBNQGSA-N 2 1 331.504 2.363 10 30 EEEEMP C[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039026 1356073819 /nfs/dbraw/zinc/07/38/19/1356073819.db2.gz ISNKINMSAIZGLR-AATRIKPKSA-N 2 1 342.487 2.298 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCF)CC1 ZINC001671504359 1356352434 /nfs/dbraw/zinc/35/24/34/1356352434.db2.gz YPYSGKWYUPZAIR-WMZOPIPTSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001674199313 1356804484 /nfs/dbraw/zinc/80/44/84/1356804484.db2.gz AYTPPIHKEGBACM-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001674199313 1356804488 /nfs/dbraw/zinc/80/44/88/1356804488.db2.gz AYTPPIHKEGBACM-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001674272211 1356810093 /nfs/dbraw/zinc/81/00/93/1356810093.db2.gz UFWIMFMOPNRZAO-IBGZPJMESA-N 2 1 327.472 2.374 10 30 EEEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001674272211 1356810097 /nfs/dbraw/zinc/81/00/97/1356810097.db2.gz UFWIMFMOPNRZAO-IBGZPJMESA-N 2 1 327.472 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001674942574 1356914146 /nfs/dbraw/zinc/91/41/46/1356914146.db2.gz CORBAOPUOMLUGG-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001674942574 1356914150 /nfs/dbraw/zinc/91/41/50/1356914150.db2.gz CORBAOPUOMLUGG-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001674942574 1356914154 /nfs/dbraw/zinc/91/41/54/1356914154.db2.gz CORBAOPUOMLUGG-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001674942574 1356914156 /nfs/dbraw/zinc/91/41/56/1356914156.db2.gz CORBAOPUOMLUGG-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001684792693 1358280467 /nfs/dbraw/zinc/28/04/67/1358280467.db2.gz PLRBJIXFHBDUTI-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001684792693 1358280469 /nfs/dbraw/zinc/28/04/69/1358280469.db2.gz PLRBJIXFHBDUTI-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792693 1358280472 /nfs/dbraw/zinc/28/04/72/1358280472.db2.gz PLRBJIXFHBDUTI-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792693 1358280476 /nfs/dbraw/zinc/28/04/76/1358280476.db2.gz PLRBJIXFHBDUTI-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccc(C#N)cc1 ZINC001437480049 1089827963 /nfs/dbraw/zinc/82/79/63/1089827963.db2.gz BIXAKUMMPUNZQS-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccc(C#N)cc1 ZINC001437480049 1089827975 /nfs/dbraw/zinc/82/79/75/1089827975.db2.gz BIXAKUMMPUNZQS-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccc(C#N)cc1 ZINC001437480049 1089827994 /nfs/dbraw/zinc/82/79/94/1089827994.db2.gz BIXAKUMMPUNZQS-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438259460 1090740860 /nfs/dbraw/zinc/74/08/60/1090740860.db2.gz KUCHYNAHCUIFNH-RTBURBONSA-N 2 1 342.487 2.321 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001438809403 1091422522 /nfs/dbraw/zinc/42/25/22/1091422522.db2.gz KPDBNAQVHQVYPE-GDBMZVCRSA-N 2 1 338.883 2.237 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875725 1091802706 /nfs/dbraw/zinc/80/27/06/1091802706.db2.gz FPSHQGOJFKPVMH-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001445875725 1091802711 /nfs/dbraw/zinc/80/27/11/1091802711.db2.gz FPSHQGOJFKPVMH-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001445875725 1091802723 /nfs/dbraw/zinc/80/27/23/1091802723.db2.gz FPSHQGOJFKPVMH-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687732 1092633245 /nfs/dbraw/zinc/63/32/45/1092633245.db2.gz SKSLUGHOMIWGNX-CVEARBPZSA-N 2 1 327.900 2.394 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001441739374 1095728825 /nfs/dbraw/zinc/72/88/25/1095728825.db2.gz GMNLWULCXJRCJN-UHFFFAOYSA-N 2 1 348.516 2.477 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849669 1095935060 /nfs/dbraw/zinc/93/50/60/1095935060.db2.gz MYJHQASNUFWBCQ-CJNGLKHVSA-N 2 1 334.489 2.087 10 30 EEEEMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806128 1097188294 /nfs/dbraw/zinc/18/82/94/1097188294.db2.gz DVLKLPBJWIGRLY-HUUCEWRRSA-N 2 1 346.500 2.042 10 30 EEEEMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806128 1097188297 /nfs/dbraw/zinc/18/82/97/1097188297.db2.gz DVLKLPBJWIGRLY-HUUCEWRRSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806128 1097188300 /nfs/dbraw/zinc/18/83/00/1097188300.db2.gz DVLKLPBJWIGRLY-HUUCEWRRSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806128 1097188304 /nfs/dbraw/zinc/18/83/04/1097188304.db2.gz DVLKLPBJWIGRLY-HUUCEWRRSA-N 2 1 346.500 2.042 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635935 /nfs/dbraw/zinc/63/59/35/1098635935.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635939 /nfs/dbraw/zinc/63/59/39/1098635939.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635943 /nfs/dbraw/zinc/63/59/43/1098635943.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001480022032 1099502948 /nfs/dbraw/zinc/50/29/48/1099502948.db2.gz UTLJXGMGNNGDAL-PKOBYXMFSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001480407096 1100222518 /nfs/dbraw/zinc/22/25/18/1100222518.db2.gz OWKUXIADAVCEJM-KLAILNCOSA-N 2 1 330.476 2.347 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196577 1102108963 /nfs/dbraw/zinc/10/89/63/1102108963.db2.gz AMFHSNCUXQTDPX-RHSMWYFYSA-N 2 1 348.516 2.479 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494161444 1103624974 /nfs/dbraw/zinc/62/49/74/1103624974.db2.gz UXJHLGVYPXGOFD-SFHVURJKSA-N 2 1 329.488 2.371 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060656 1103918572 /nfs/dbraw/zinc/91/85/72/1103918572.db2.gz JKFCJXGJDFIYSU-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060656 1103918575 /nfs/dbraw/zinc/91/85/75/1103918575.db2.gz JKFCJXGJDFIYSU-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060656 1103918576 /nfs/dbraw/zinc/91/85/76/1103918576.db2.gz JKFCJXGJDFIYSU-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001500039764 1112588942 /nfs/dbraw/zinc/58/89/42/1112588942.db2.gz WSYKHIKKFCPXHW-GOSISDBHSA-N 2 1 331.504 2.197 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001501221577 1113249692 /nfs/dbraw/zinc/24/96/92/1113249692.db2.gz CQACIRDCLFXRGC-BBWFWOEESA-N 2 1 325.472 2.023 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735010 1114159049 /nfs/dbraw/zinc/15/90/49/1114159049.db2.gz JSKJAWZKRGEWBL-KGLIPLIRSA-N 2 1 334.439 2.022 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001506958932 1115006620 /nfs/dbraw/zinc/00/66/20/1115006620.db2.gz PLRFSSBPLYNVRG-UHFFFAOYSA-N 2 1 333.501 2.369 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507011415 1115053063 /nfs/dbraw/zinc/05/30/63/1115053063.db2.gz DDYZEGCTCHYQPB-CVEARBPZSA-N 2 1 327.900 2.438 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431415 1115264847 /nfs/dbraw/zinc/26/48/47/1115264847.db2.gz MPNZGRGQMDRBAN-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C(C)(C)C ZINC001508023150 1115390722 /nfs/dbraw/zinc/39/07/22/1115390722.db2.gz NQJHCAICUAGXBQ-IBGZPJMESA-N 2 1 343.515 2.305 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001568176606 1124340671 /nfs/dbraw/zinc/34/06/71/1124340671.db2.gz IUKVTDCARJBQQE-XLIONFOSSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001568176606 1124340677 /nfs/dbraw/zinc/34/06/77/1124340677.db2.gz IUKVTDCARJBQQE-XLIONFOSSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C ZINC001568277833 1124400458 /nfs/dbraw/zinc/40/04/58/1124400458.db2.gz GSVLMXQVARNBDG-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C ZINC001568277833 1124400463 /nfs/dbraw/zinc/40/04/63/1124400463.db2.gz GSVLMXQVARNBDG-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccsc1)CC(C)C ZINC001568331184 1124422842 /nfs/dbraw/zinc/42/28/42/1124422842.db2.gz MULUJJQTYWWNSG-MSOLQXFVSA-N 2 1 347.528 2.466 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccsc1)CC(C)C ZINC001568331184 1124422843 /nfs/dbraw/zinc/42/28/43/1124422843.db2.gz MULUJJQTYWWNSG-MSOLQXFVSA-N 2 1 347.528 2.466 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001568730700 1124745340 /nfs/dbraw/zinc/74/53/40/1124745340.db2.gz LENFKAOTPCQXHZ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+]1CCC([NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329297134 465291044 /nfs/dbraw/zinc/29/10/44/465291044.db2.gz TUVPUKPXDXOLBS-AWEZNQCLSA-N 2 1 333.480 2.093 10 30 EEEEMP C[NH+]1CCC(NC([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329297134 465291050 /nfs/dbraw/zinc/29/10/50/465291050.db2.gz TUVPUKPXDXOLBS-AWEZNQCLSA-N 2 1 333.480 2.093 10 30 EEEEMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527077 464502388 /nfs/dbraw/zinc/50/23/88/464502388.db2.gz GDIUJYMXQXAVSA-LJQANCHMSA-N 2 1 326.488 2.454 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000424179383 466998144 /nfs/dbraw/zinc/99/81/44/466998144.db2.gz YVTKKJYIOAAPBZ-HRCADAONSA-N 2 1 334.851 2.223 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000424179383 466998148 /nfs/dbraw/zinc/99/81/48/466998148.db2.gz YVTKKJYIOAAPBZ-HRCADAONSA-N 2 1 334.851 2.223 10 30 EEEEMP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594435417 468586078 /nfs/dbraw/zinc/58/60/78/468586078.db2.gz DVQVIVVECNYHKK-QZTJIDSGSA-N 2 1 328.460 2.131 10 30 EEEEMP C[N@@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600714219 468630362 /nfs/dbraw/zinc/63/03/62/468630362.db2.gz KPNCCIRLBFTYMY-LJQANCHMSA-N 2 1 345.487 2.169 10 30 EEEEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715772 468630829 /nfs/dbraw/zinc/63/08/29/468630829.db2.gz ILHCJBGXIWKZPK-FGTMMUONSA-N 2 1 337.508 2.015 10 30 EEEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592521691 468719410 /nfs/dbraw/zinc/71/94/10/468719410.db2.gz APLDSYRGDDVBSB-FQEVSTJZSA-N 2 1 342.487 2.069 10 30 EEEEMP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000595906346 469075595 /nfs/dbraw/zinc/07/55/95/469075595.db2.gz JTVJVZPNQBBOJL-IBGZPJMESA-N 2 1 331.460 2.370 10 30 EEEEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000595906346 469075601 /nfs/dbraw/zinc/07/56/01/469075601.db2.gz JTVJVZPNQBBOJL-IBGZPJMESA-N 2 1 331.460 2.370 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(CC#N)c1 ZINC000596929618 469411224 /nfs/dbraw/zinc/41/12/24/469411224.db2.gz WQEZCCBQWRCOIN-HNNXBMFYSA-N 2 1 331.464 2.146 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(CC#N)c1 ZINC000596929618 469411230 /nfs/dbraw/zinc/41/12/30/469411230.db2.gz WQEZCCBQWRCOIN-HNNXBMFYSA-N 2 1 331.464 2.146 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1C ZINC001691023711 1176507774 /nfs/dbraw/zinc/50/77/74/1176507774.db2.gz OPGYZWLRCPUKAW-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1C ZINC001691023711 1176507781 /nfs/dbraw/zinc/50/77/81/1176507781.db2.gz OPGYZWLRCPUKAW-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1C ZINC001691023711 1176507786 /nfs/dbraw/zinc/50/77/86/1176507786.db2.gz OPGYZWLRCPUKAW-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1C ZINC001691023711 1176507792 /nfs/dbraw/zinc/50/77/92/1176507792.db2.gz OPGYZWLRCPUKAW-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001670588093 1176931949 /nfs/dbraw/zinc/93/19/49/1176931949.db2.gz MMBWNRSDSRNAMU-QZTJIDSGSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266787000 1177427961 /nfs/dbraw/zinc/42/79/61/1177427961.db2.gz RGAOUTTYZPABBA-MOPGFXCFSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895034 1177739406 /nfs/dbraw/zinc/73/94/06/1177739406.db2.gz LHCMPJCZTYWSHR-FUHWJXTLSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895034 1177739413 /nfs/dbraw/zinc/73/94/13/1177739413.db2.gz LHCMPJCZTYWSHR-FUHWJXTLSA-N 2 1 330.476 2.212 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123961 1178291916 /nfs/dbraw/zinc/29/19/16/1178291916.db2.gz ZGXDIXLMDDJNEA-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC001267520825 1179252225 /nfs/dbraw/zinc/25/22/25/1179252225.db2.gz TXJGXEIQEOFATO-HKUYNNGSSA-N 2 1 338.455 2.387 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480978710 1179414050 /nfs/dbraw/zinc/41/40/50/1179414050.db2.gz JOWMBAJFUONDRX-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480978710 1179414058 /nfs/dbraw/zinc/41/40/58/1179414058.db2.gz JOWMBAJFUONDRX-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCCC)CC1 ZINC001481335514 1181062698 /nfs/dbraw/zinc/06/26/98/1181062698.db2.gz QCXFLHQLAMSFRK-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCCC)CC1 ZINC001481335514 1181062701 /nfs/dbraw/zinc/06/27/01/1181062701.db2.gz QCXFLHQLAMSFRK-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481988995 1183093914 /nfs/dbraw/zinc/09/39/14/1183093914.db2.gz WLELPPFYKZKDIG-HZPDHXFCSA-N 2 1 327.900 2.299 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269621942 1184447429 /nfs/dbraw/zinc/44/74/29/1184447429.db2.gz VHYSFIXEZPMEIT-IBGZPJMESA-N 2 1 331.504 2.195 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001269621942 1184447432 /nfs/dbraw/zinc/44/74/32/1184447432.db2.gz VHYSFIXEZPMEIT-IBGZPJMESA-N 2 1 331.504 2.195 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001269621942 1184447434 /nfs/dbraw/zinc/44/74/34/1184447434.db2.gz VHYSFIXEZPMEIT-IBGZPJMESA-N 2 1 331.504 2.195 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001270065840 1184823441 /nfs/dbraw/zinc/82/34/41/1184823441.db2.gz ZARWSBFABLPATG-IBGZPJMESA-N 2 1 327.472 2.290 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001270737543 1185355827 /nfs/dbraw/zinc/35/58/27/1185355827.db2.gz OOASCZVMVOAYDM-FPOVZHCZSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001270737543 1185355832 /nfs/dbraw/zinc/35/58/32/1185355832.db2.gz OOASCZVMVOAYDM-FPOVZHCZSA-N 2 1 343.515 2.413 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892289 1186586106 /nfs/dbraw/zinc/58/61/06/1186586106.db2.gz RDDARLWGCHFEJP-AKHDSKFASA-N 2 1 333.520 2.463 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272245 1190296417 /nfs/dbraw/zinc/29/64/17/1190296417.db2.gz PYBRFRJOAXKTRZ-WMLDXEAASA-N 2 1 348.516 2.477 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001483743669 1190895641 /nfs/dbraw/zinc/89/56/41/1190895641.db2.gz YVAQATOFDMJELR-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001483743669 1190895643 /nfs/dbraw/zinc/89/56/43/1190895643.db2.gz YVAQATOFDMJELR-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001484772536 1191514863 /nfs/dbraw/zinc/51/48/63/1191514863.db2.gz WFJISBPPDBJTJW-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772536 1191514864 /nfs/dbraw/zinc/51/48/64/1191514864.db2.gz WFJISBPPDBJTJW-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772536 1191514866 /nfs/dbraw/zinc/51/48/66/1191514866.db2.gz WFJISBPPDBJTJW-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001411251131 1198974069 /nfs/dbraw/zinc/97/40/69/1198974069.db2.gz BIXOMVILFLNAOK-AWEZNQCLSA-N 2 1 339.911 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001411251131 1198974074 /nfs/dbraw/zinc/97/40/74/1198974074.db2.gz BIXOMVILFLNAOK-AWEZNQCLSA-N 2 1 339.911 2.442 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001274855103 1205188283 /nfs/dbraw/zinc/18/82/83/1205188283.db2.gz CGZHODSDKKQHAO-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001274855103 1205188285 /nfs/dbraw/zinc/18/82/85/1205188285.db2.gz CGZHODSDKKQHAO-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001274855103 1205188287 /nfs/dbraw/zinc/18/82/87/1205188287.db2.gz CGZHODSDKKQHAO-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275150032 1205268081 /nfs/dbraw/zinc/26/80/81/1205268081.db2.gz USHPWKRSIKZCTB-HKUYNNGSSA-N 2 1 327.472 2.005 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001489272031 1290499691 /nfs/dbraw/zinc/49/96/91/1290499691.db2.gz OBJMYASIEXEETM-CJNGLKHVSA-N 2 1 346.500 2.183 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001489272031 1290499695 /nfs/dbraw/zinc/49/96/95/1290499695.db2.gz OBJMYASIEXEETM-CJNGLKHVSA-N 2 1 346.500 2.183 10 30 EEEEMP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000852098606 1291992030 /nfs/dbraw/zinc/99/20/30/1291992030.db2.gz RDOYKLLTIYDUGP-XLIONFOSSA-N 2 1 327.472 2.283 10 30 EEEEMP C[NH+](C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000852855833 1292217201 /nfs/dbraw/zinc/21/72/01/1292217201.db2.gz PDAYGDLGXDKORD-KRWDZBQOSA-N 2 1 333.863 2.062 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC001278667371 1317606007 /nfs/dbraw/zinc/60/60/07/1317606007.db2.gz PYAAKEBDCNOCAK-QGZVFWFLSA-N 2 1 346.475 2.287 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278747303 1317957742 /nfs/dbraw/zinc/95/77/42/1317957742.db2.gz KJVGHBSVLXVKOV-MRXNPFEDSA-N 2 1 343.462 2.368 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001265061373 1322900255 /nfs/dbraw/zinc/90/02/55/1322900255.db2.gz OJSCTJCYXXHRAS-GOSISDBHSA-N 2 1 348.466 2.222 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265622043 1323274354 /nfs/dbraw/zinc/27/43/54/1323274354.db2.gz VRFGBDLRTYELLA-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001265744657 1323360310 /nfs/dbraw/zinc/36/03/10/1323360310.db2.gz QAPYWOYUHNJIQT-UHFFFAOYSA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001265744657 1323360318 /nfs/dbraw/zinc/36/03/18/1323360318.db2.gz QAPYWOYUHNJIQT-UHFFFAOYSA-N 2 1 327.472 2.159 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786012 1323380520 /nfs/dbraw/zinc/38/05/20/1323380520.db2.gz KKBOQEWZJIYBCV-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265941562 1323505083 /nfs/dbraw/zinc/50/50/83/1323505083.db2.gz CFNXMFPCYVCRMA-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978191 1323538792 /nfs/dbraw/zinc/53/87/92/1323538792.db2.gz DWNGJOGVFKTWIR-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP C[C@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CC#Cc1ccccc1 ZINC001266184771 1323750768 /nfs/dbraw/zinc/75/07/68/1323750768.db2.gz QHYNIMJAZZTFOY-NQIIRXRSSA-N 2 1 339.483 2.008 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCCC=C)CC1 ZINC001282260769 1325671694 /nfs/dbraw/zinc/67/16/94/1325671694.db2.gz MLKJXQDMIFPPAJ-ACBHZAAOSA-N 2 1 331.504 2.409 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCCC=C)CC1 ZINC001282260769 1325671695 /nfs/dbraw/zinc/67/16/95/1325671695.db2.gz MLKJXQDMIFPPAJ-ACBHZAAOSA-N 2 1 331.504 2.409 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(F)ccc1C ZINC001282402923 1325709981 /nfs/dbraw/zinc/70/99/81/1325709981.db2.gz RWFURDYWZLQFDP-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(F)ccc1C ZINC001282402923 1325709984 /nfs/dbraw/zinc/70/99/84/1325709984.db2.gz RWFURDYWZLQFDP-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C ZINC001282402923 1325709986 /nfs/dbraw/zinc/70/99/86/1325709986.db2.gz RWFURDYWZLQFDP-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C ZINC001282402923 1325709989 /nfs/dbraw/zinc/70/99/89/1325709989.db2.gz RWFURDYWZLQFDP-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494895 1325732244 /nfs/dbraw/zinc/73/22/44/1325732244.db2.gz COBFQAZGVBJJOM-INIZCTEOSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944350 1325846096 /nfs/dbraw/zinc/84/60/96/1325846096.db2.gz AJTCETMXUBJWKG-IPMKNSEASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944350 1325846097 /nfs/dbraw/zinc/84/60/97/1325846097.db2.gz AJTCETMXUBJWKG-IPMKNSEASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944350 1325846100 /nfs/dbraw/zinc/84/61/00/1325846100.db2.gz AJTCETMXUBJWKG-IPMKNSEASA-N 2 1 345.531 2.491 10 30 EEEEMP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283176064 1325944838 /nfs/dbraw/zinc/94/48/38/1325944838.db2.gz GJYWRTVKPDFNKO-BFHYXJOUSA-N 2 1 346.313 2.110 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491896884 1330294522 /nfs/dbraw/zinc/29/45/22/1330294522.db2.gz QKBMGKUYHKVIMP-MOPGFXCFSA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491896884 1330294523 /nfs/dbraw/zinc/29/45/23/1330294523.db2.gz QKBMGKUYHKVIMP-MOPGFXCFSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316721209 1331861739 /nfs/dbraw/zinc/86/17/39/1331861739.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316721209 1331861744 /nfs/dbraw/zinc/86/17/44/1331861744.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316721209 1331861747 /nfs/dbraw/zinc/86/17/47/1331861747.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316721209 1331861751 /nfs/dbraw/zinc/86/17/51/1331861751.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316721209 1331861752 /nfs/dbraw/zinc/86/17/52/1331861752.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001316933384 1331999423 /nfs/dbraw/zinc/99/94/23/1331999423.db2.gz JNCNZRJQKSKDLM-RBUKOAKNSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317041581 1332056133 /nfs/dbraw/zinc/05/61/33/1332056133.db2.gz CYQZOVHPYZXOKV-QGZVFWFLSA-N 2 1 338.455 2.450 10 30 EEEEMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)CCC1 ZINC001317503014 1332268823 /nfs/dbraw/zinc/26/88/23/1332268823.db2.gz VTLGPYCHRVOITJ-IBGZPJMESA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)CCC1 ZINC001317503014 1332268827 /nfs/dbraw/zinc/26/88/27/1332268827.db2.gz VTLGPYCHRVOITJ-IBGZPJMESA-N 2 1 339.483 2.103 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001317590372 1332312636 /nfs/dbraw/zinc/31/26/36/1332312636.db2.gz OUQQJUXSZXLRNG-PBHICJAKSA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001317590372 1332312638 /nfs/dbraw/zinc/31/26/38/1332312638.db2.gz OUQQJUXSZXLRNG-PBHICJAKSA-N 2 1 333.480 2.193 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001317681001 1332368849 /nfs/dbraw/zinc/36/88/49/1332368849.db2.gz DYKSWCGGBYLVHM-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC001317681001 1332368851 /nfs/dbraw/zinc/36/88/51/1332368851.db2.gz DYKSWCGGBYLVHM-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC001317681001 1332368852 /nfs/dbraw/zinc/36/88/52/1332368852.db2.gz DYKSWCGGBYLVHM-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC001319080554 1332646633 /nfs/dbraw/zinc/64/66/33/1332646633.db2.gz BDEMYIDWVIZZIA-OTWHNJEPSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC001319080554 1332646635 /nfs/dbraw/zinc/64/66/35/1332646635.db2.gz BDEMYIDWVIZZIA-OTWHNJEPSA-N 2 1 333.520 2.347 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001320465575 1332891033 /nfs/dbraw/zinc/89/10/33/1332891033.db2.gz ZFAZAQAIDWFPRE-XJKSGUPXSA-N 2 1 334.489 2.088 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001322661734 1333302782 /nfs/dbraw/zinc/30/27/82/1333302782.db2.gz JIGNTKTXFOSWHC-IRXDYDNUSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001333433634 1336046715 /nfs/dbraw/zinc/04/67/15/1336046715.db2.gz VXYVZUWKKCTUIA-FQEVSTJZSA-N 2 1 339.483 2.451 10 30 EEEEMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001333433634 1336046721 /nfs/dbraw/zinc/04/67/21/1336046721.db2.gz VXYVZUWKKCTUIA-FQEVSTJZSA-N 2 1 339.483 2.451 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001333433634 1336046723 /nfs/dbraw/zinc/04/67/23/1336046723.db2.gz VXYVZUWKKCTUIA-FQEVSTJZSA-N 2 1 339.483 2.451 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566689851 1342603493 /nfs/dbraw/zinc/60/34/93/1342603493.db2.gz WBESLNYKRONAST-MSOLQXFVSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001675051154 1356930231 /nfs/dbraw/zinc/93/02/31/1356930231.db2.gz XFDVDRVKQQEECU-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001566877561 1342646261 /nfs/dbraw/zinc/64/62/61/1342646261.db2.gz AGOAGFJVVGNZOW-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566877561 1342646264 /nfs/dbraw/zinc/64/62/64/1342646264.db2.gz AGOAGFJVVGNZOW-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566877561 1342646267 /nfs/dbraw/zinc/64/62/67/1342646267.db2.gz AGOAGFJVVGNZOW-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001570119122 1343013336 /nfs/dbraw/zinc/01/33/36/1343013336.db2.gz OXKZHNWEAGJDBA-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001570515111 1343078276 /nfs/dbraw/zinc/07/82/76/1343078276.db2.gz BIKIDMGIHUMIDV-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001570553209 1343083924 /nfs/dbraw/zinc/08/39/24/1343083924.db2.gz HXCMBJUISLNQRJ-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001570553209 1343083930 /nfs/dbraw/zinc/08/39/30/1343083930.db2.gz HXCMBJUISLNQRJ-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001570553209 1343083931 /nfs/dbraw/zinc/08/39/31/1343083931.db2.gz HXCMBJUISLNQRJ-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001571351352 1343194404 /nfs/dbraw/zinc/19/44/04/1343194404.db2.gz QRSUUPIOQHTMRM-FUHWJXTLSA-N 2 1 332.492 2.451 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001656555299 1354248194 /nfs/dbraw/zinc/24/81/94/1354248194.db2.gz VOEGAJQSOYUZNX-CABCVRRESA-N 2 1 334.464 2.143 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1csc(C)c1 ZINC001660542094 1354485401 /nfs/dbraw/zinc/48/54/01/1354485401.db2.gz PIUGCPGMURVPJI-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1csc(C)c1 ZINC001660542094 1354485404 /nfs/dbraw/zinc/48/54/04/1354485404.db2.gz PIUGCPGMURVPJI-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1csc(C)c1 ZINC001660542094 1354485410 /nfs/dbraw/zinc/48/54/10/1354485410.db2.gz PIUGCPGMURVPJI-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1csc(C)c1 ZINC001660542094 1354485413 /nfs/dbraw/zinc/48/54/13/1354485413.db2.gz PIUGCPGMURVPJI-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752507 1354690237 /nfs/dbraw/zinc/69/02/37/1354690237.db2.gz KREUQOJJVRXSPJ-RTBURBONSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877355 1354871750 /nfs/dbraw/zinc/87/17/50/1354871750.db2.gz CMMNMUJWSCJDNK-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877355 1354871752 /nfs/dbraw/zinc/87/17/52/1354871752.db2.gz CMMNMUJWSCJDNK-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001663072028 1354908237 /nfs/dbraw/zinc/90/82/37/1354908237.db2.gz LHOKYIKIVRZPPU-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001663072028 1354908242 /nfs/dbraw/zinc/90/82/42/1354908242.db2.gz LHOKYIKIVRZPPU-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001663072028 1354908245 /nfs/dbraw/zinc/90/82/45/1354908245.db2.gz LHOKYIKIVRZPPU-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001663072028 1354908247 /nfs/dbraw/zinc/90/82/47/1354908247.db2.gz LHOKYIKIVRZPPU-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CC#Cc2ccccc2)CC1 ZINC001663307933 1354946960 /nfs/dbraw/zinc/94/69/60/1354946960.db2.gz DETPBEPXCYMYDO-UHFFFAOYSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)CC1 ZINC001663307933 1354946963 /nfs/dbraw/zinc/94/69/63/1354946963.db2.gz DETPBEPXCYMYDO-UHFFFAOYSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001665410443 1355302705 /nfs/dbraw/zinc/30/27/05/1355302705.db2.gz WJGBHBYMWKJCDJ-NJAFHUGGSA-N 2 1 328.460 2.005 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001665410443 1355302710 /nfs/dbraw/zinc/30/27/10/1355302710.db2.gz WJGBHBYMWKJCDJ-NJAFHUGGSA-N 2 1 328.460 2.005 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419699 1356519570 /nfs/dbraw/zinc/51/95/70/1356519570.db2.gz OCTJHDRLXJOBFW-ZRNYENFQSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419699 1356519571 /nfs/dbraw/zinc/51/95/71/1356519571.db2.gz OCTJHDRLXJOBFW-ZRNYENFQSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419699 1356519573 /nfs/dbraw/zinc/51/95/73/1356519573.db2.gz OCTJHDRLXJOBFW-ZRNYENFQSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419699 1356519575 /nfs/dbraw/zinc/51/95/75/1356519575.db2.gz OCTJHDRLXJOBFW-ZRNYENFQSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CCC[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001673080008 1356644354 /nfs/dbraw/zinc/64/43/54/1356644354.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CCC[N@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001673080008 1356644358 /nfs/dbraw/zinc/64/43/58/1356644358.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001673080008 1356644361 /nfs/dbraw/zinc/64/43/61/1356644361.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001698933403 1405171801 /nfs/dbraw/zinc/17/18/01/1405171801.db2.gz SKJYDVZNCQTLEC-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699403195 1405347876 /nfs/dbraw/zinc/34/78/76/1405347876.db2.gz MZVZEMHZBFXFAI-LPHOPBHVSA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001699687634 1405440266 /nfs/dbraw/zinc/44/02/66/1405440266.db2.gz IFPNDNMFUGFARZ-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687634 1405440271 /nfs/dbraw/zinc/44/02/71/1405440271.db2.gz IFPNDNMFUGFARZ-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687634 1405440277 /nfs/dbraw/zinc/44/02/77/1405440277.db2.gz IFPNDNMFUGFARZ-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800515 779305497 /nfs/dbraw/zinc/30/54/97/779305497.db2.gz BMBSZHZIWDBWOW-MSOLQXFVSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800515 779305500 /nfs/dbraw/zinc/30/55/00/779305500.db2.gz BMBSZHZIWDBWOW-MSOLQXFVSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800515 779305502 /nfs/dbraw/zinc/30/55/02/779305502.db2.gz BMBSZHZIWDBWOW-MSOLQXFVSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067580 779819421 /nfs/dbraw/zinc/81/94/21/779819421.db2.gz FNLVUJADIDFSSW-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067580 779819429 /nfs/dbraw/zinc/81/94/29/779819429.db2.gz FNLVUJADIDFSSW-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)CC2(C)C)CC1 ZINC000941238724 780227840 /nfs/dbraw/zinc/22/78/40/780227840.db2.gz CBRYPWZACGNGFK-GOSISDBHSA-N 2 1 331.504 2.124 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568920304 1124949139 /nfs/dbraw/zinc/94/91/39/1124949139.db2.gz SFEHWPDAMHOMJK-VOTSOKGWSA-N 2 1 346.313 2.135 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001440363266 1093528816 /nfs/dbraw/zinc/52/88/16/1093528816.db2.gz QHCJDMFKJXOLNJ-JCNLHEQBSA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654824 1093927804 /nfs/dbraw/zinc/92/78/04/1093927804.db2.gz XZOXMBNGQRHIQX-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654824 1093927807 /nfs/dbraw/zinc/92/78/07/1093927807.db2.gz XZOXMBNGQRHIQX-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654824 1093927813 /nfs/dbraw/zinc/92/78/13/1093927813.db2.gz XZOXMBNGQRHIQX-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001444331058 1098895998 /nfs/dbraw/zinc/89/59/98/1098895998.db2.gz XWKYXXHZEHYGKI-KBXCAEBGSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001495436833 1101153905 /nfs/dbraw/zinc/15/39/05/1101153905.db2.gz AVDWPLFJOBYJKK-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001495436833 1101153906 /nfs/dbraw/zinc/15/39/06/1101153906.db2.gz AVDWPLFJOBYJKK-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497207005 1102126361 /nfs/dbraw/zinc/12/63/61/1102126361.db2.gz WVDUEABRDQCDPM-AWEZNQCLSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480665038 1106845305 /nfs/dbraw/zinc/84/53/05/1106845305.db2.gz HSQDFVVGBWUQJI-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001480735351 1107006841 /nfs/dbraw/zinc/00/68/41/1107006841.db2.gz SZZUNOBJNMYEOK-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001480735351 1107006853 /nfs/dbraw/zinc/00/68/53/1107006853.db2.gz SZZUNOBJNMYEOK-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706306 1108822992 /nfs/dbraw/zinc/82/29/92/1108822992.db2.gz RLHSHMAUDGBVSI-UXHICEINSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706306 1108822994 /nfs/dbraw/zinc/82/29/94/1108822994.db2.gz RLHSHMAUDGBVSI-UXHICEINSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001455706306 1108822995 /nfs/dbraw/zinc/82/29/95/1108822995.db2.gz RLHSHMAUDGBVSI-UXHICEINSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001455706306 1108822996 /nfs/dbraw/zinc/82/29/96/1108822996.db2.gz RLHSHMAUDGBVSI-UXHICEINSA-N 2 1 339.483 2.112 10 30 EEEEMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001501172030 1113227075 /nfs/dbraw/zinc/22/70/75/1113227075.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501172030 1113227077 /nfs/dbraw/zinc/22/70/77/1113227077.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501172030 1113227079 /nfs/dbraw/zinc/22/70/79/1113227079.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 2 1 339.911 2.440 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001506862710 1114929558 /nfs/dbraw/zinc/92/95/58/1114929558.db2.gz AZRJLZZPDLLLAI-UHFFFAOYSA-N 2 1 346.475 2.240 10 30 EEEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001506862710 1114929560 /nfs/dbraw/zinc/92/95/60/1114929560.db2.gz AZRJLZZPDLLLAI-UHFFFAOYSA-N 2 1 346.475 2.240 10 30 EEEEMP C=C(Br)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001506982024 1115029377 /nfs/dbraw/zinc/02/93/77/1115029377.db2.gz NTTYXGSBRTVUSE-KGLIPLIRSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001507091477 1115103221 /nfs/dbraw/zinc/10/32/21/1115103221.db2.gz KWDFIBYFRAHICE-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001507091477 1115103223 /nfs/dbraw/zinc/10/32/23/1115103223.db2.gz KWDFIBYFRAHICE-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713987 1124731326 /nfs/dbraw/zinc/73/13/26/1124731326.db2.gz MLUVNMFAQATSOG-UYAOXDASSA-N 2 1 341.499 2.397 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568919908 1124947093 /nfs/dbraw/zinc/94/70/93/1124947093.db2.gz LAIIQHUJSLLVMA-SQRWCISFSA-N 2 1 331.863 2.213 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001569145002 1125125241 /nfs/dbraw/zinc/12/52/41/1125125241.db2.gz APANXKVGZQDGIZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001569145002 1125125245 /nfs/dbraw/zinc/12/52/45/1125125245.db2.gz APANXKVGZQDGIZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001569145002 1125125250 /nfs/dbraw/zinc/12/52/50/1125125250.db2.gz APANXKVGZQDGIZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001569145002 1125125255 /nfs/dbraw/zinc/12/52/55/1125125255.db2.gz APANXKVGZQDGIZ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181276 465298739 /nfs/dbraw/zinc/29/87/39/465298739.db2.gz ZDTXFCQTWXLVMX-MUGJNUQGSA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H](CO)[NH+](CC#CC[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179018 466454618 /nfs/dbraw/zinc/45/46/18/466454618.db2.gz ZIMWHXLJCFBHEA-ROUUACIJSA-N 2 1 336.520 2.241 10 30 EEEEMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000591764019 468517498 /nfs/dbraw/zinc/51/74/98/468517498.db2.gz OETMPJRVGCGPKX-ACBHZAAOSA-N 2 1 343.471 2.099 10 30 EEEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215214 /nfs/dbraw/zinc/21/52/14/469215214.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215218 /nfs/dbraw/zinc/21/52/18/469215218.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215222 /nfs/dbraw/zinc/21/52/22/469215222.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 2 1 347.503 2.006 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873277 472286447 /nfs/dbraw/zinc/28/64/47/472286447.db2.gz VQPIKXFWSKODRH-FPOVZHCZSA-N 2 1 341.499 2.460 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)CC1 ZINC001266314100 1176215606 /nfs/dbraw/zinc/21/56/06/1176215606.db2.gz RXRVRBOCLAELSM-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)CC1 ZINC001266314100 1176215618 /nfs/dbraw/zinc/21/56/18/1176215618.db2.gz RXRVRBOCLAELSM-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001480874754 1176555220 /nfs/dbraw/zinc/55/52/20/1176555220.db2.gz LIGHWMAHLLCYJV-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001480874754 1176555227 /nfs/dbraw/zinc/55/52/27/1176555227.db2.gz LIGHWMAHLLCYJV-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001480874754 1176555233 /nfs/dbraw/zinc/55/52/33/1176555233.db2.gz LIGHWMAHLLCYJV-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001480874754 1176555242 /nfs/dbraw/zinc/55/52/42/1176555242.db2.gz LIGHWMAHLLCYJV-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001691796457 1176866684 /nfs/dbraw/zinc/86/66/84/1176866684.db2.gz IMHFDERNDBRZKP-MOPGFXCFSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691796457 1176866691 /nfs/dbraw/zinc/86/66/91/1176866691.db2.gz IMHFDERNDBRZKP-MOPGFXCFSA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001691181099 1177679300 /nfs/dbraw/zinc/67/93/00/1177679300.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691181099 1177679305 /nfs/dbraw/zinc/67/93/05/1177679305.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001691181099 1177679310 /nfs/dbraw/zinc/67/93/10/1177679310.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2ccsc2)CC1 ZINC001267257534 1178628158 /nfs/dbraw/zinc/62/81/58/1178628158.db2.gz ZLWDSYSVZZBBHC-UHFFFAOYSA-N 2 1 333.501 2.031 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267476359 1179113231 /nfs/dbraw/zinc/11/32/31/1179113231.db2.gz ZZGAERNBTUNIFF-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759843 1183675337 /nfs/dbraw/zinc/67/53/37/1183675337.db2.gz OZVURCWZXVHWAU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759843 1183675341 /nfs/dbraw/zinc/67/53/41/1183675341.db2.gz OZVURCWZXVHWAU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001268759843 1183675343 /nfs/dbraw/zinc/67/53/43/1183675343.db2.gz OZVURCWZXVHWAU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001268759843 1183675345 /nfs/dbraw/zinc/67/53/45/1183675345.db2.gz OZVURCWZXVHWAU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510930 1184332436 /nfs/dbraw/zinc/33/24/36/1184332436.db2.gz SYYKWDMTQIOORF-IRXDYDNUSA-N 2 1 347.890 2.128 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370219 1185536001 /nfs/dbraw/zinc/53/60/01/1185536001.db2.gz TUANJMPCBPEDLB-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001271772096 1186473737 /nfs/dbraw/zinc/47/37/37/1186473737.db2.gz JYWGLNLVWXGUNL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001271772096 1186473740 /nfs/dbraw/zinc/47/37/40/1186473740.db2.gz JYWGLNLVWXGUNL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001271772096 1186473741 /nfs/dbraw/zinc/47/37/41/1186473741.db2.gz JYWGLNLVWXGUNL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483136720 1188682430 /nfs/dbraw/zinc/68/24/30/1188682430.db2.gz DFHDXCXELIONIP-PBHICJAKSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001483583370 1190570331 /nfs/dbraw/zinc/57/03/31/1190570331.db2.gz LTRZMJBOXSFCTC-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484009327 1191153480 /nfs/dbraw/zinc/15/34/80/1191153480.db2.gz NDBHTHYJXUJXNC-IEBWSBKVSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001484556402 1191418153 /nfs/dbraw/zinc/41/81/53/1191418153.db2.gz VHXQMBMLLSHLDZ-HXUWFJFHSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001484556402 1191418156 /nfs/dbraw/zinc/41/81/56/1191418156.db2.gz VHXQMBMLLSHLDZ-HXUWFJFHSA-N 2 1 341.499 2.488 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001484982820 1191601014 /nfs/dbraw/zinc/60/10/14/1191601014.db2.gz NPBCCDWMEVLMOK-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001484982820 1191601016 /nfs/dbraw/zinc/60/10/16/1191601016.db2.gz NPBCCDWMEVLMOK-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001484982820 1191601017 /nfs/dbraw/zinc/60/10/17/1191601017.db2.gz NPBCCDWMEVLMOK-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987629 1191603657 /nfs/dbraw/zinc/60/36/57/1191603657.db2.gz DJXGHRPBRGOQQB-HUUCEWRRSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987629 1191603659 /nfs/dbraw/zinc/60/36/59/1191603659.db2.gz DJXGHRPBRGOQQB-HUUCEWRRSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987629 1191603660 /nfs/dbraw/zinc/60/36/60/1191603660.db2.gz DJXGHRPBRGOQQB-HUUCEWRRSA-N 2 1 348.516 2.429 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155646 1191668432 /nfs/dbraw/zinc/66/84/32/1191668432.db2.gz CLRKBDSSFXOYLV-KBPBESRZSA-N 2 1 346.450 2.164 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001485512276 1191815803 /nfs/dbraw/zinc/81/58/03/1191815803.db2.gz MUGMGLXKSFFWOU-UONOGXRCSA-N 2 1 334.464 2.141 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865937972 1198430585 /nfs/dbraw/zinc/43/05/85/1198430585.db2.gz AMYUVKBHDQHYMZ-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865937972 1198430587 /nfs/dbraw/zinc/43/05/87/1198430587.db2.gz AMYUVKBHDQHYMZ-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932339 1199822724 /nfs/dbraw/zinc/82/27/24/1199822724.db2.gz KERGAZKACJOBEP-YESZJQIVSA-N 2 1 333.863 2.189 10 30 EEEEMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001274249396 1204974869 /nfs/dbraw/zinc/97/48/69/1204974869.db2.gz AJEAMDBWZHTZAO-YJBOKZPZSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985416 1258543530 /nfs/dbraw/zinc/54/35/30/1258543530.db2.gz YTVSDDJZDAFFRP-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001276921838 1300273675 /nfs/dbraw/zinc/27/36/75/1300273675.db2.gz PFBIDKMYLKZBOQ-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372594 1322679582 /nfs/dbraw/zinc/67/95/82/1322679582.db2.gz IEKQPQQNNBLRLA-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372594 1322679584 /nfs/dbraw/zinc/67/95/84/1322679584.db2.gz IEKQPQQNNBLRLA-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001264372594 1322679588 /nfs/dbraw/zinc/67/95/88/1322679588.db2.gz IEKQPQQNNBLRLA-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264372594 1322679592 /nfs/dbraw/zinc/67/95/92/1322679592.db2.gz IEKQPQQNNBLRLA-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264657149 1322767702 /nfs/dbraw/zinc/76/77/02/1322767702.db2.gz OKKLBCXQMMCVDC-JQHSSLGASA-N 2 1 330.476 2.327 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264657149 1322767706 /nfs/dbraw/zinc/76/77/06/1322767706.db2.gz OKKLBCXQMMCVDC-JQHSSLGASA-N 2 1 330.476 2.327 10 30 EEEEMP CC[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)CC[NH+](C)C ZINC001265130886 1322937519 /nfs/dbraw/zinc/93/75/19/1322937519.db2.gz GISDHUGKJZFMMO-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001265327530 1323075885 /nfs/dbraw/zinc/07/58/85/1323075885.db2.gz ISMZSVWVNSWOFG-SJORKVTESA-N 2 1 342.487 2.391 10 30 EEEEMP C=CCC[N@@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001280814589 1324538113 /nfs/dbraw/zinc/53/81/13/1324538113.db2.gz PIVBYSXCSIQQGC-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[N@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001280814589 1324538122 /nfs/dbraw/zinc/53/81/22/1324538122.db2.gz PIVBYSXCSIQQGC-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001280814589 1324538127 /nfs/dbraw/zinc/53/81/27/1324538127.db2.gz PIVBYSXCSIQQGC-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001280814589 1324538130 /nfs/dbraw/zinc/53/81/30/1324538130.db2.gz PIVBYSXCSIQQGC-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191166 1325646564 /nfs/dbraw/zinc/64/65/64/1325646564.db2.gz GNUFXLIHRKYLLQ-ROUUACIJSA-N 2 1 343.515 2.499 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317449541 1332247274 /nfs/dbraw/zinc/24/72/74/1332247274.db2.gz DEAOPAFIXDPTPB-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317449541 1332247277 /nfs/dbraw/zinc/24/72/77/1332247277.db2.gz DEAOPAFIXDPTPB-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317449541 1332247284 /nfs/dbraw/zinc/24/72/84/1332247284.db2.gz DEAOPAFIXDPTPB-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317449541 1332247289 /nfs/dbraw/zinc/24/72/89/1332247289.db2.gz DEAOPAFIXDPTPB-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811909 1332417087 /nfs/dbraw/zinc/41/70/87/1332417087.db2.gz SEGGNMRYPZYOSW-ROUUACIJSA-N 2 1 333.520 2.206 10 30 EEEEMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570709 1332562266 /nfs/dbraw/zinc/56/22/66/1332562266.db2.gz PUAHOZDHHHCNMF-VQIMIIECSA-N 2 1 345.462 2.003 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001318999156 1332635396 /nfs/dbraw/zinc/63/53/96/1332635396.db2.gz QFYXHYUDDGYLMD-LPHOPBHVSA-N 2 1 327.472 2.146 10 30 EEEEMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001319145299 1332656856 /nfs/dbraw/zinc/65/68/56/1332656856.db2.gz OVFQZQZFRKJOHH-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C\c1ccccc1 ZINC001321097142 1333018819 /nfs/dbraw/zinc/01/88/19/1333018819.db2.gz NPMDFFORXWBXHR-LVELJDLASA-N 2 1 337.467 2.059 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C\c1ccccc1 ZINC001321097142 1333018822 /nfs/dbraw/zinc/01/88/22/1333018822.db2.gz NPMDFFORXWBXHR-LVELJDLASA-N 2 1 337.467 2.059 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001324160568 1333621372 /nfs/dbraw/zinc/62/13/72/1333621372.db2.gz AQMSWECUBQJLQM-CRAIPNDOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001324160568 1333621374 /nfs/dbraw/zinc/62/13/74/1333621374.db2.gz AQMSWECUBQJLQM-CRAIPNDOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001325006068 1333806551 /nfs/dbraw/zinc/80/65/51/1333806551.db2.gz YJPPPUKQSMMNET-KRWDZBQOSA-N 2 1 337.508 2.082 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001326273597 1334057743 /nfs/dbraw/zinc/05/77/43/1334057743.db2.gz VNKQFGORLULEPB-MSOLQXFVSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174126 1334240636 /nfs/dbraw/zinc/24/06/36/1334240636.db2.gz XFHSVQDTIPNFGL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174126 1334240637 /nfs/dbraw/zinc/24/06/37/1334240637.db2.gz XFHSVQDTIPNFGL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001328129806 1334402244 /nfs/dbraw/zinc/40/22/44/1334402244.db2.gz YHTPZBJNWGIWJA-UHFFFAOYSA-N 2 1 341.499 2.111 10 30 EEEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330056530 1334770434 /nfs/dbraw/zinc/77/04/34/1334770434.db2.gz ZFWYOYVCDAZXLM-GDBMZVCRSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230051 1334808985 /nfs/dbraw/zinc/80/89/85/1334808985.db2.gz KSUWWMSYVGWUOZ-SFHVURJKSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230051 1334808988 /nfs/dbraw/zinc/80/89/88/1334808988.db2.gz KSUWWMSYVGWUOZ-SFHVURJKSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230051 1334808990 /nfs/dbraw/zinc/80/89/90/1334808990.db2.gz KSUWWMSYVGWUOZ-SFHVURJKSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001330230051 1334808992 /nfs/dbraw/zinc/80/89/92/1334808992.db2.gz KSUWWMSYVGWUOZ-SFHVURJKSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001330487010 1334855732 /nfs/dbraw/zinc/85/57/32/1334855732.db2.gz UALVNIVCSIRCFW-GOSISDBHSA-N 2 1 331.504 2.219 10 30 EEEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330527512 1334864536 /nfs/dbraw/zinc/86/45/36/1334864536.db2.gz AEVQWMHKFVGGRF-RYQLBKOJSA-N 2 1 325.472 2.023 10 30 EEEEMP C#CC[N@@H+](CC[C@H]1CCOC1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001330719879 1334890962 /nfs/dbraw/zinc/89/09/62/1334890962.db2.gz FXSQKVFLUKBWCQ-MOPGFXCFSA-N 2 1 334.504 2.239 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331289960 1334991320 /nfs/dbraw/zinc/99/13/20/1334991320.db2.gz OMOFFJPLVZDUSS-RBUKOAKNSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001332881153 1335924268 /nfs/dbraw/zinc/92/42/68/1335924268.db2.gz HIDOFOFOHPHPMX-QZTJIDSGSA-N 2 1 329.488 2.433 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001333456372 1336050583 /nfs/dbraw/zinc/05/05/83/1336050583.db2.gz CFMJXYVVOVTING-WAYWQWQTSA-N 2 1 343.515 2.436 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001479815405 1337394687 /nfs/dbraw/zinc/39/46/87/1337394687.db2.gz HXAVPQLIQLPDCW-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001479815405 1337394693 /nfs/dbraw/zinc/39/46/93/1337394693.db2.gz HXAVPQLIQLPDCW-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001479815405 1337394694 /nfs/dbraw/zinc/39/46/94/1337394694.db2.gz HXAVPQLIQLPDCW-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871976 1342643118 /nfs/dbraw/zinc/64/31/18/1342643118.db2.gz OTYGDPQMPRDRDZ-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871976 1342643122 /nfs/dbraw/zinc/64/31/22/1342643122.db2.gz OTYGDPQMPRDRDZ-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871976 1342643126 /nfs/dbraw/zinc/64/31/26/1342643126.db2.gz OTYGDPQMPRDRDZ-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676017869 1357089211 /nfs/dbraw/zinc/08/92/11/1357089211.db2.gz CXXBFCFAZVQAQH-ZBFHGGJFSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478092 1342881777 /nfs/dbraw/zinc/88/17/77/1342881777.db2.gz QCDUTOXQXKCSSX-VQIMIIECSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478092 1342881780 /nfs/dbraw/zinc/88/17/80/1342881780.db2.gz QCDUTOXQXKCSSX-VQIMIIECSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001569841021 1342956114 /nfs/dbraw/zinc/95/61/14/1342956114.db2.gz LBFAIORKDOLWCY-LSDHHAIUSA-N 2 1 334.464 2.000 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001570275611 1343049034 /nfs/dbraw/zinc/04/90/34/1343049034.db2.gz YXJCIFFUNPRTED-UYAOXDASSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC=C)CC1(C)C ZINC001570393969 1343063694 /nfs/dbraw/zinc/06/36/94/1343063694.db2.gz TWJPIUFFOABWNG-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC=C)CC1(C)C ZINC001570393969 1343063699 /nfs/dbraw/zinc/06/36/99/1343063699.db2.gz TWJPIUFFOABWNG-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC=C)CC1(C)C ZINC001570393969 1343063703 /nfs/dbraw/zinc/06/37/03/1343063703.db2.gz TWJPIUFFOABWNG-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC=C)CC1(C)C ZINC001570393969 1343063707 /nfs/dbraw/zinc/06/37/07/1343063707.db2.gz TWJPIUFFOABWNG-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001571332039 1343186224 /nfs/dbraw/zinc/18/62/24/1343186224.db2.gz QDZAUWZGVCQNDV-RTBURBONSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001571332039 1343186226 /nfs/dbraw/zinc/18/62/26/1343186226.db2.gz QDZAUWZGVCQNDV-RTBURBONSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001571332039 1343186229 /nfs/dbraw/zinc/18/62/29/1343186229.db2.gz QDZAUWZGVCQNDV-RTBURBONSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821124 1357213984 /nfs/dbraw/zinc/21/39/84/1357213984.db2.gz RFFGSYJKMOTMIX-QUCCMNQESA-N 2 1 331.504 2.389 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001677621443 1357375774 /nfs/dbraw/zinc/37/57/74/1357375774.db2.gz QNCZFDAQEOUUIP-OALUTQOASA-N 2 1 349.519 2.058 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410312 /nfs/dbraw/zinc/41/03/12/1354410312.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410313 /nfs/dbraw/zinc/41/03/13/1354410313.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410314 /nfs/dbraw/zinc/41/03/14/1354410314.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410316 /nfs/dbraw/zinc/41/03/16/1354410316.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410317 /nfs/dbraw/zinc/41/03/17/1354410317.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001662930453 1354877086 /nfs/dbraw/zinc/87/70/86/1354877086.db2.gz XCVZOLMFPDLPOE-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001662930453 1354877090 /nfs/dbraw/zinc/87/70/90/1354877090.db2.gz XCVZOLMFPDLPOE-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](CC)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001663442916 1354962770 /nfs/dbraw/zinc/96/27/70/1354962770.db2.gz KAXYBIBLXIYAOI-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001663442916 1354962774 /nfs/dbraw/zinc/96/27/74/1354962774.db2.gz KAXYBIBLXIYAOI-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C#N)C1 ZINC001664134336 1355098839 /nfs/dbraw/zinc/09/88/39/1355098839.db2.gz BKXFVBSZTDXCPQ-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001664241856 1355120918 /nfs/dbraw/zinc/12/09/18/1355120918.db2.gz XCDPWRDIGAXHBV-WMLDXEAASA-N 2 1 346.500 2.185 10 30 EEEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001666021622 1355426823 /nfs/dbraw/zinc/42/68/23/1355426823.db2.gz IPZORFBAHTWKAB-DNVCBOLYSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001666371275 1355519960 /nfs/dbraw/zinc/51/99/60/1355519960.db2.gz UKSBLCWBKMITPF-UHFFFAOYSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001667426704 1355740430 /nfs/dbraw/zinc/74/04/30/1355740430.db2.gz VSPWEWWCGVCCLY-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001671784731 1356413742 /nfs/dbraw/zinc/41/37/42/1356413742.db2.gz KSCGFMBSIKDEIA-RBUKOAKNSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001671892288 1356432961 /nfs/dbraw/zinc/43/29/61/1356432961.db2.gz MLYPEFBQXPGNRT-HXUWFJFHSA-N 2 1 338.455 2.498 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001672916728 1356614835 /nfs/dbraw/zinc/61/48/35/1356614835.db2.gz RIQPJQHZEGTPHR-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1CC)CCO2 ZINC001673522646 1356703210 /nfs/dbraw/zinc/70/32/10/1356703210.db2.gz RQQVQIDXEPMZOG-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1CC)CCO2 ZINC001673522646 1356703212 /nfs/dbraw/zinc/70/32/12/1356703212.db2.gz RQQVQIDXEPMZOG-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001674425049 1356829553 /nfs/dbraw/zinc/82/95/53/1356829553.db2.gz NLKAIWBKHIKSAR-UYAOXDASSA-N 2 1 327.472 2.419 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001675185112 1356943134 /nfs/dbraw/zinc/94/31/34/1356943134.db2.gz IUNZDEAYWVDADV-ZWKOTPCHSA-N 2 1 331.504 2.435 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962038 1404969448 /nfs/dbraw/zinc/96/94/48/1404969448.db2.gz WMEIIAFBYOKIMX-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691962038 1404969460 /nfs/dbraw/zinc/96/94/60/1404969460.db2.gz WMEIIAFBYOKIMX-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691962038 1404969474 /nfs/dbraw/zinc/96/94/74/1404969474.db2.gz WMEIIAFBYOKIMX-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001698917535 1405160082 /nfs/dbraw/zinc/16/00/82/1405160082.db2.gz JCRYOTVMTDOAQA-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCCC)C2)CC1 ZINC001699015481 1405229592 /nfs/dbraw/zinc/22/95/92/1405229592.db2.gz KFORWYUEXWYONC-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP CC[N@@H+](C)C[C@@H]1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493705 791861897 /nfs/dbraw/zinc/86/18/97/791861897.db2.gz DOURMFBOZILURM-KRWDZBQOSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493705 791861901 /nfs/dbraw/zinc/86/19/01/791861901.db2.gz DOURMFBOZILURM-KRWDZBQOSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493705 791861905 /nfs/dbraw/zinc/86/19/05/791861905.db2.gz DOURMFBOZILURM-KRWDZBQOSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493705 791861906 /nfs/dbraw/zinc/86/19/06/791861906.db2.gz DOURMFBOZILURM-KRWDZBQOSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493705 791861910 /nfs/dbraw/zinc/86/19/10/791861910.db2.gz DOURMFBOZILURM-KRWDZBQOSA-N 2 1 338.459 2.356 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566075135 1125547634 /nfs/dbraw/zinc/54/76/34/1125547634.db2.gz PXBIFRGEOYLWPZ-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437382084 1089631760 /nfs/dbraw/zinc/63/17/60/1089631760.db2.gz JWEBYCHCCAWXCO-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001448561240 1093608362 /nfs/dbraw/zinc/60/83/62/1093608362.db2.gz KVOSJZCNVVKTNF-WBVHZDCISA-N 2 1 327.900 2.345 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001441017281 1094298622 /nfs/dbraw/zinc/29/86/22/1094298622.db2.gz WDANRGAUYYIHNF-UHFFFAOYSA-N 2 1 346.450 2.072 10 30 EEEEMP CC(C)[C@@H](CCNC(=O)Cc1cnc[nH]1)[NH2+]Cc1ccccc1C#N ZINC001441417980 1095001673 /nfs/dbraw/zinc/00/16/73/1095001673.db2.gz ORWGQGDZTXVDFD-GOSISDBHSA-N 2 1 339.443 2.145 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001496359611 1100952882 /nfs/dbraw/zinc/95/28/82/1100952882.db2.gz RCUDRHQVPDXKKE-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001495427698 1101145144 /nfs/dbraw/zinc/14/51/44/1101145144.db2.gz DMGKQOHAWIJLEV-LJQANCHMSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001496842180 1101581972 /nfs/dbraw/zinc/58/19/72/1101581972.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 1 342.487 2.321 10 30 EEEEMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001496076795 1102016333 /nfs/dbraw/zinc/01/63/33/1102016333.db2.gz FOOLWIUCTUHYNC-IAOVAPTHSA-N 2 1 337.427 2.022 10 30 EEEEMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494179626 1103654701 /nfs/dbraw/zinc/65/47/01/1103654701.db2.gz SKXZPTNYZWIMIL-CQSZACIVSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001494179626 1103654704 /nfs/dbraw/zinc/65/47/04/1103654704.db2.gz SKXZPTNYZWIMIL-CQSZACIVSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179626 1103654709 /nfs/dbraw/zinc/65/47/09/1103654709.db2.gz SKXZPTNYZWIMIL-CQSZACIVSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179626 1103654713 /nfs/dbraw/zinc/65/47/13/1103654713.db2.gz SKXZPTNYZWIMIL-CQSZACIVSA-N 2 1 346.313 2.016 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1CC#Cc1ccccc1 ZINC001498998713 1108435475 /nfs/dbraw/zinc/43/54/75/1108435475.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 1 339.483 2.103 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001502058642 1113572521 /nfs/dbraw/zinc/57/25/21/1113572521.db2.gz VZWQBUSQMVREPY-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001505413850 1113947273 /nfs/dbraw/zinc/94/72/73/1113947273.db2.gz ROAZBZGKVWKVGJ-CEXWTWQISA-N 2 1 327.472 2.419 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507070674 1115092529 /nfs/dbraw/zinc/09/25/29/1115092529.db2.gz GXQRGNZJCPBJEE-KBPBESRZSA-N 2 1 346.313 2.204 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001568097604 1124301166 /nfs/dbraw/zinc/30/11/66/1124301166.db2.gz FAVDBOHPLUEVHE-LJQANCHMSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001568105993 1124305788 /nfs/dbraw/zinc/30/57/88/1124305788.db2.gz GSHUSUOYCFDQJW-BZSNNMDCSA-N 2 1 337.483 2.241 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001568105993 1124305791 /nfs/dbraw/zinc/30/57/91/1124305791.db2.gz GSHUSUOYCFDQJW-BZSNNMDCSA-N 2 1 337.483 2.241 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568643138 1124655229 /nfs/dbraw/zinc/65/52/29/1124655229.db2.gz XLYCPOQDKMJCEW-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001569061394 1125072496 /nfs/dbraw/zinc/07/24/96/1125072496.db2.gz BILZFDXETZPQBE-JVPBZIDWSA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001569061394 1125072502 /nfs/dbraw/zinc/07/25/02/1125072502.db2.gz BILZFDXETZPQBE-JVPBZIDWSA-N 2 1 343.446 2.005 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000246199083 464557879 /nfs/dbraw/zinc/55/78/79/464557879.db2.gz MWVJKBCSQYGNOA-ROUUACIJSA-N 2 1 334.508 2.295 10 30 EEEEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439876 468587569 /nfs/dbraw/zinc/58/75/69/468587569.db2.gz VQHQEJHRZDWSKP-QZTJIDSGSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccccc2c1C#N ZINC000898585288 693384938 /nfs/dbraw/zinc/38/49/38/693384938.db2.gz RFIWSBSYELUIIL-AWEZNQCLSA-N 2 1 341.459 2.041 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccccc2c1C#N ZINC000898585288 693384941 /nfs/dbraw/zinc/38/49/41/693384941.db2.gz RFIWSBSYELUIIL-AWEZNQCLSA-N 2 1 341.459 2.041 10 30 EEEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001272701586 1191961522 /nfs/dbraw/zinc/96/15/22/1191961522.db2.gz XCCJSWMCVHAHJB-FUHWJXTLSA-N 2 1 327.472 2.319 10 30 EEEEMP CN(CC#Cc1cccc(Cl)c1)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001480873612 1176528660 /nfs/dbraw/zinc/52/86/60/1176528660.db2.gz IBXWFTMDUYPUTD-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1)C1CCC1 ZINC001480873612 1176528665 /nfs/dbraw/zinc/52/86/65/1176528665.db2.gz IBXWFTMDUYPUTD-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1)C1CCC1 ZINC001480873612 1176528671 /nfs/dbraw/zinc/52/86/71/1176528671.db2.gz IBXWFTMDUYPUTD-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001480873612 1176528684 /nfs/dbraw/zinc/52/86/84/1176528684.db2.gz IBXWFTMDUYPUTD-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CCC[NH+](C)C ZINC001691037414 1176928068 /nfs/dbraw/zinc/92/80/68/1176928068.db2.gz LTYCTHGRGSBNBX-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CCC[NH+](C)C ZINC001691037414 1176928074 /nfs/dbraw/zinc/92/80/74/1176928074.db2.gz LTYCTHGRGSBNBX-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001670588094 1176932020 /nfs/dbraw/zinc/93/20/20/1176932020.db2.gz MMBWNRSDSRNAMU-ROUUACIJSA-N 2 1 330.476 2.212 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001480904789 1177884934 /nfs/dbraw/zinc/88/49/34/1177884934.db2.gz LHKUFPJQQSAXEN-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001480904789 1177884945 /nfs/dbraw/zinc/88/49/45/1177884945.db2.gz LHKUFPJQQSAXEN-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2)C1 ZINC001480904789 1177884955 /nfs/dbraw/zinc/88/49/55/1177884955.db2.gz LHKUFPJQQSAXEN-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001480904789 1177884964 /nfs/dbraw/zinc/88/49/64/1177884964.db2.gz LHKUFPJQQSAXEN-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267298815 1178709066 /nfs/dbraw/zinc/70/90/66/1178709066.db2.gz SNMCAHWALYRDTD-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001267371156 1178870656 /nfs/dbraw/zinc/87/06/56/1178870656.db2.gz WMIKLHGTPOZUQI-FXAWDEMLSA-N 2 1 345.462 2.279 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001267925784 1180773594 /nfs/dbraw/zinc/77/35/94/1180773594.db2.gz NECJWCPIBYCIKC-MKXGPGLRSA-N 2 1 349.519 2.223 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001267958034 1180839560 /nfs/dbraw/zinc/83/95/60/1180839560.db2.gz SMRFIESDFHEVDL-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001267958034 1180839569 /nfs/dbraw/zinc/83/95/69/1180839569.db2.gz SMRFIESDFHEVDL-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001267989194 1180927135 /nfs/dbraw/zinc/92/71/35/1180927135.db2.gz HWOSKJBAAWPTEF-PXNSSMCTSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001267989194 1180927140 /nfs/dbraw/zinc/92/71/40/1180927140.db2.gz HWOSKJBAAWPTEF-PXNSSMCTSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365953 1181134271 /nfs/dbraw/zinc/13/42/71/1181134271.db2.gz UUDJXDHONXATTE-RBUKOAKNSA-N 2 1 327.472 2.331 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817089 1182734534 /nfs/dbraw/zinc/73/45/34/1182734534.db2.gz SMIQXCZGIVTQRQ-OALUTQOASA-N 2 1 342.487 2.417 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268544038 1183217127 /nfs/dbraw/zinc/21/71/27/1183217127.db2.gz YRJCEIPGWJATNC-UEKDZROGSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268544038 1183217129 /nfs/dbraw/zinc/21/71/29/1183217129.db2.gz YRJCEIPGWJATNC-UEKDZROGSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173162 1183499792 /nfs/dbraw/zinc/49/97/92/1183499792.db2.gz GXIXHLMNJSZFAJ-INIZCTEOSA-N 2 1 349.906 2.374 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001269422493 1184254419 /nfs/dbraw/zinc/25/44/19/1184254419.db2.gz DFZOFCCXJXILCU-IBGZPJMESA-N 2 1 339.483 2.151 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455839 1185873433 /nfs/dbraw/zinc/87/34/33/1185873433.db2.gz JPJHIYHRBNMOQY-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1csc(C)c1 ZINC001482930816 1187852356 /nfs/dbraw/zinc/85/23/56/1187852356.db2.gz VXSLDTFENOKPHU-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1csc(C)c1 ZINC001482930816 1187852360 /nfs/dbraw/zinc/85/23/60/1187852360.db2.gz VXSLDTFENOKPHU-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001485883118 1193628782 /nfs/dbraw/zinc/62/87/82/1193628782.db2.gz ONAZYPWEWWKZGE-KGLIPLIRSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272343844 1190777743 /nfs/dbraw/zinc/77/77/43/1190777743.db2.gz PELZNJIFGSBSFY-OALUTQOASA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001272343844 1190777745 /nfs/dbraw/zinc/77/77/45/1190777745.db2.gz PELZNJIFGSBSFY-OALUTQOASA-N 2 1 327.472 2.016 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001484143775 1191233130 /nfs/dbraw/zinc/23/31/30/1191233130.db2.gz XIBBUFWMKJFQNR-UHFFFAOYSA-N 2 1 330.476 2.248 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001484397234 1191330570 /nfs/dbraw/zinc/33/05/70/1191330570.db2.gz CHJZYGZOKGTTQS-WAAHFUDESA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001484658501 1191460413 /nfs/dbraw/zinc/46/04/13/1191460413.db2.gz FDMIJNBMVGDJOE-SFHVURJKSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CF)cc1 ZINC001485314631 1191730519 /nfs/dbraw/zinc/73/05/19/1191730519.db2.gz VUBXWYMYKBNSBZ-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CF)cc1 ZINC001485314631 1191730520 /nfs/dbraw/zinc/73/05/20/1191730520.db2.gz VUBXWYMYKBNSBZ-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC001485314631 1191730523 /nfs/dbraw/zinc/73/05/23/1191730523.db2.gz VUBXWYMYKBNSBZ-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001485314631 1191730525 /nfs/dbraw/zinc/73/05/25/1191730525.db2.gz VUBXWYMYKBNSBZ-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001485376036 1191764633 /nfs/dbraw/zinc/76/46/33/1191764633.db2.gz PFYRUPUNYMNDSI-QFBILLFUSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001485376036 1191764634 /nfs/dbraw/zinc/76/46/34/1191764634.db2.gz PFYRUPUNYMNDSI-QFBILLFUSA-N 2 1 347.478 2.200 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001275159422 1205269760 /nfs/dbraw/zinc/26/97/60/1205269760.db2.gz CEBWMOWVRXQIJS-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275159422 1205269763 /nfs/dbraw/zinc/26/97/63/1205269763.db2.gz CEBWMOWVRXQIJS-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275159422 1205269764 /nfs/dbraw/zinc/26/97/64/1205269764.db2.gz CEBWMOWVRXQIJS-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000246695482 1213005261 /nfs/dbraw/zinc/00/52/61/1213005261.db2.gz ZAXDCZXMMUHXJA-YCPHGPKFSA-N 2 1 336.505 2.214 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900893821 1234967684 /nfs/dbraw/zinc/96/76/84/1234967684.db2.gz DIOZDNIRDJVRNV-LJQANCHMSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902789603 1238536540 /nfs/dbraw/zinc/53/65/40/1238536540.db2.gz IKFZJZJOSJWQJP-MJGOQNOKSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607330 1281076763 /nfs/dbraw/zinc/07/67/63/1281076763.db2.gz LWIQGQYXEMSHMD-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489287161 1290491863 /nfs/dbraw/zinc/49/18/63/1290491863.db2.gz RBJLPJLFAQTJRA-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489287161 1290491868 /nfs/dbraw/zinc/49/18/68/1290491868.db2.gz RBJLPJLFAQTJRA-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347609 1290531191 /nfs/dbraw/zinc/53/11/91/1290531191.db2.gz BNSAVPUNOCPDHC-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCC[C@@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590548 1293573881 /nfs/dbraw/zinc/57/38/81/1293573881.db2.gz WHSBTSLNYKSLJX-MJGOQNOKSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590548 1293573885 /nfs/dbraw/zinc/57/38/85/1293573885.db2.gz WHSBTSLNYKSLJX-MJGOQNOKSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590548 1293573891 /nfs/dbraw/zinc/57/38/91/1293573891.db2.gz WHSBTSLNYKSLJX-MJGOQNOKSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C(C)C ZINC001211223144 1295762936 /nfs/dbraw/zinc/76/29/36/1295762936.db2.gz RDQSWIOCVJEODO-KURKYZTESA-N 2 1 334.508 2.031 10 30 EEEEMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388532 1297159159 /nfs/dbraw/zinc/15/91/59/1297159159.db2.gz ISANWCWYPUNTQU-QFBILLFUSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491171156 1299651174 /nfs/dbraw/zinc/65/11/74/1299651174.db2.gz YZHACBGYHLVONH-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277147753 1301511798 /nfs/dbraw/zinc/51/17/98/1301511798.db2.gz GZBZQSVWIAWXRI-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001277393199 1302815886 /nfs/dbraw/zinc/81/58/86/1302815886.db2.gz GIXXUKHTFWNWDV-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001277393199 1302815903 /nfs/dbraw/zinc/81/59/03/1302815903.db2.gz GIXXUKHTFWNWDV-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001277393199 1302815919 /nfs/dbraw/zinc/81/59/19/1302815919.db2.gz GIXXUKHTFWNWDV-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558131 1303520298 /nfs/dbraw/zinc/52/02/98/1303520298.db2.gz IWCTVVKLLARZRY-CABCVRRESA-N 2 1 348.516 2.336 10 30 EEEEMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001277866685 1304975347 /nfs/dbraw/zinc/97/53/47/1304975347.db2.gz XMPIGCDLTIGLKK-FQEVSTJZSA-N 2 1 339.483 2.103 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001279031839 1319038653 /nfs/dbraw/zinc/03/86/53/1319038653.db2.gz SCWVNUHZWWWSJE-JKSUJKDBSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407135 1323135416 /nfs/dbraw/zinc/13/54/16/1323135416.db2.gz RDEIBAFQOZYJRT-KANFNMMFSA-N 2 1 331.504 2.358 10 30 EEEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107651 1323672850 /nfs/dbraw/zinc/67/28/50/1323672850.db2.gz HCRFFTCHQLOJIX-SJLPKXTDSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107651 1323672859 /nfs/dbraw/zinc/67/28/59/1323672859.db2.gz HCRFFTCHQLOJIX-SJLPKXTDSA-N 2 1 330.476 2.253 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001279237309 1323856284 /nfs/dbraw/zinc/85/62/84/1323856284.db2.gz UCLDSNMJMMIVOP-REPLKXPHSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837613 1325457360 /nfs/dbraw/zinc/45/73/60/1325457360.db2.gz SOXABKMBMAWCRA-UHFFFAOYSA-N 2 1 348.535 2.430 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCc2ccccc2)CC1 ZINC001317472175 1331545055 /nfs/dbraw/zinc/54/50/55/1331545055.db2.gz WMPMBROJAGNERR-UHFFFAOYSA-N 2 1 341.499 2.012 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CCC[NH+](C)C)C2 ZINC001316806290 1331903284 /nfs/dbraw/zinc/90/32/84/1331903284.db2.gz SAFMAZDPKFRGKI-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001316828683 1331918688 /nfs/dbraw/zinc/91/86/88/1331918688.db2.gz IIMWHZSINCREEI-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001316828683 1331918691 /nfs/dbraw/zinc/91/86/91/1331918691.db2.gz IIMWHZSINCREEI-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001316828683 1331918692 /nfs/dbraw/zinc/91/86/92/1331918692.db2.gz IIMWHZSINCREEI-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001316828683 1331918694 /nfs/dbraw/zinc/91/86/94/1331918694.db2.gz IIMWHZSINCREEI-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(F)ccc1C#N ZINC001316898587 1331964323 /nfs/dbraw/zinc/96/43/23/1331964323.db2.gz YAEHUDUMPSMYHP-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(F)ccc1C#N ZINC001316898587 1331964324 /nfs/dbraw/zinc/96/43/24/1331964324.db2.gz YAEHUDUMPSMYHP-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cc(F)ccc1C#N ZINC001316898587 1331964328 /nfs/dbraw/zinc/96/43/28/1331964328.db2.gz YAEHUDUMPSMYHP-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cc(F)ccc1C#N ZINC001316898587 1331964330 /nfs/dbraw/zinc/96/43/30/1331964330.db2.gz YAEHUDUMPSMYHP-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810141 1332416459 /nfs/dbraw/zinc/41/64/59/1332416459.db2.gz YKBZICGTCPZMHV-PMACEKPBSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319021185 1332638338 /nfs/dbraw/zinc/63/83/38/1332638338.db2.gz UKIQFWSSYJZBKD-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319021185 1332638342 /nfs/dbraw/zinc/63/83/42/1332638342.db2.gz UKIQFWSSYJZBKD-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001319817430 1332775420 /nfs/dbraw/zinc/77/54/20/1332775420.db2.gz AFZHDYDGHLYDMG-CVEARBPZSA-N 2 1 346.475 2.287 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320110085 1332829104 /nfs/dbraw/zinc/82/91/04/1332829104.db2.gz FEPSAJJMYXZCQC-JKSUJKDBSA-N 2 1 327.900 2.394 10 30 EEEEMP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001321095578 1333017818 /nfs/dbraw/zinc/01/78/18/1333017818.db2.gz DDDBRJZVRPZILX-PHWHVTFISA-N 2 1 340.471 2.195 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001321095578 1333017822 /nfs/dbraw/zinc/01/78/22/1333017822.db2.gz DDDBRJZVRPZILX-PHWHVTFISA-N 2 1 340.471 2.195 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001322243369 1333234593 /nfs/dbraw/zinc/23/45/93/1333234593.db2.gz DVMKMERYEAMBSB-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001322243369 1333234595 /nfs/dbraw/zinc/23/45/95/1333234595.db2.gz DVMKMERYEAMBSB-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001324647537 1333730910 /nfs/dbraw/zinc/73/09/10/1333730910.db2.gz OKDCIQLXSHFVLN-LJQANCHMSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001324647537 1333730911 /nfs/dbraw/zinc/73/09/11/1333730911.db2.gz OKDCIQLXSHFVLN-LJQANCHMSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324729339 1333747612 /nfs/dbraw/zinc/74/76/12/1333747612.db2.gz XPLYIPCIAWLDDD-LPHOPBHVSA-N 2 1 330.476 2.248 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001324835018 1333770012 /nfs/dbraw/zinc/77/00/12/1333770012.db2.gz VNEKELCHDCYHOW-UYAOXDASSA-N 2 1 327.472 2.141 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001325897962 1333988001 /nfs/dbraw/zinc/98/80/01/1333988001.db2.gz HKCIBVBAYHDHBE-IPMKNSEASA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001326365124 1334077011 /nfs/dbraw/zinc/07/70/11/1334077011.db2.gz NMIKGNDGZXUWGR-HXUWFJFHSA-N 2 1 341.499 2.012 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001333482120 1336057585 /nfs/dbraw/zinc/05/75/85/1336057585.db2.gz KLDPQSMIRBHBJV-LJQANCHMSA-N 2 1 345.462 2.429 10 30 EEEEMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001339094886 1336958474 /nfs/dbraw/zinc/95/84/74/1336958474.db2.gz KSAIUEHEFHNJSJ-QGZVFWFLSA-N 2 1 346.523 2.050 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668214014 1355900565 /nfs/dbraw/zinc/90/05/65/1355900565.db2.gz HMHXOLVVWGKALA-BBRMVZONSA-N 2 1 333.879 2.436 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001501424800 1342189490 /nfs/dbraw/zinc/18/94/90/1342189490.db2.gz JJQIALKWOOOMNH-OKZBNKHCSA-N 2 1 331.504 2.360 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001566869737 1342642357 /nfs/dbraw/zinc/64/23/57/1342642357.db2.gz PMBGVEHQQXOTBK-QZTJIDSGSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001566869737 1342642362 /nfs/dbraw/zinc/64/23/62/1342642362.db2.gz PMBGVEHQQXOTBK-QZTJIDSGSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001566869737 1342642365 /nfs/dbraw/zinc/64/23/65/1342642365.db2.gz PMBGVEHQQXOTBK-QZTJIDSGSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001566869737 1342642368 /nfs/dbraw/zinc/64/23/68/1342642368.db2.gz PMBGVEHQQXOTBK-QZTJIDSGSA-N 2 1 339.524 2.116 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001566939537 1342655590 /nfs/dbraw/zinc/65/55/90/1342655590.db2.gz FIQQYONEWNJHHQ-RBUKOAKNSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220922 1343035477 /nfs/dbraw/zinc/03/54/77/1343035477.db2.gz YGUSOVXVMRKPTE-MOPGFXCFSA-N 2 1 345.531 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553108 1343084407 /nfs/dbraw/zinc/08/44/07/1343084407.db2.gz DIFMWMOKZFQHFG-IBGZPJMESA-N 2 1 345.531 2.302 10 30 EEEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001676261809 1357127289 /nfs/dbraw/zinc/12/72/89/1357127289.db2.gz DDXAXYBIXBAXOH-GOSISDBHSA-N 2 1 339.443 2.284 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001676267975 1357128272 /nfs/dbraw/zinc/12/82/72/1357128272.db2.gz KJNZJXNNOQNBMS-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001676894620 1357235671 /nfs/dbraw/zinc/23/56/71/1357235671.db2.gz QKNLQPJLNXDMNB-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001676894620 1357235677 /nfs/dbraw/zinc/23/56/77/1357235677.db2.gz QKNLQPJLNXDMNB-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001676894620 1357235679 /nfs/dbraw/zinc/23/56/79/1357235679.db2.gz QKNLQPJLNXDMNB-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001676894620 1357235682 /nfs/dbraw/zinc/23/56/82/1357235682.db2.gz QKNLQPJLNXDMNB-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001676989989 1357256298 /nfs/dbraw/zinc/25/62/98/1357256298.db2.gz KEDBIKHXUHYPRN-IAGOWNOFSA-N 2 1 339.524 2.114 10 30 EEEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001676989989 1357256300 /nfs/dbraw/zinc/25/63/00/1357256300.db2.gz KEDBIKHXUHYPRN-IAGOWNOFSA-N 2 1 339.524 2.114 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001638398581 1352688250 /nfs/dbraw/zinc/68/82/50/1352688250.db2.gz XMSAQFZFNYMJDP-GOSISDBHSA-N 2 1 348.535 2.428 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001638398581 1352688251 /nfs/dbraw/zinc/68/82/51/1352688251.db2.gz XMSAQFZFNYMJDP-GOSISDBHSA-N 2 1 348.535 2.428 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661220581 1354611427 /nfs/dbraw/zinc/61/14/27/1354611427.db2.gz GNCJIUKVDQQNKH-GOSISDBHSA-N 2 1 341.499 2.208 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001663103644 1354914583 /nfs/dbraw/zinc/91/45/83/1354914583.db2.gz CZECTYQIWXJPDS-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664863545 1355246209 /nfs/dbraw/zinc/24/62/09/1355246209.db2.gz FBMWJXCURFUVQE-PMACEKPBSA-N 2 1 341.499 2.453 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664863545 1355246213 /nfs/dbraw/zinc/24/62/13/1355246213.db2.gz FBMWJXCURFUVQE-PMACEKPBSA-N 2 1 341.499 2.453 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCC=C)CC2)CC1 ZINC001664898255 1355254231 /nfs/dbraw/zinc/25/42/31/1355254231.db2.gz FSXZPMCXRPLXSJ-UHFFFAOYSA-N 2 1 331.504 2.078 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669846064 1356224000 /nfs/dbraw/zinc/22/40/00/1356224000.db2.gz QQAGRWWRAYTHIY-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481469 1356347523 /nfs/dbraw/zinc/34/75/23/1356347523.db2.gz LGDDOLVZTGGHNK-UYAOXDASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001673617370 1356718019 /nfs/dbraw/zinc/71/80/19/1356718019.db2.gz DSQQAMJTBDXJBX-MSOLQXFVSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001675204428 1356945171 /nfs/dbraw/zinc/94/51/71/1356945171.db2.gz GXUGHFKCQZVHAG-UHFFFAOYSA-N 2 1 330.476 2.404 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C(C)C ZINC001675585323 1357008666 /nfs/dbraw/zinc/00/86/66/1357008666.db2.gz VNIAEWSWFIXODV-HBFSDRIKSA-N 2 1 348.535 2.278 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC001684077937 1358221300 /nfs/dbraw/zinc/22/13/00/1358221300.db2.gz OZQDWNYJYKLTHH-SFHVURJKSA-N 2 1 336.524 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC001684077937 1358221305 /nfs/dbraw/zinc/22/13/05/1358221305.db2.gz OZQDWNYJYKLTHH-SFHVURJKSA-N 2 1 336.524 2.093 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699763111 1405472910 /nfs/dbraw/zinc/47/29/10/1405472910.db2.gz KMFHEUDCEANCSO-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699878680 1405545897 /nfs/dbraw/zinc/54/58/97/1405545897.db2.gz ZLCQSNLFENTQOJ-IBGZPJMESA-N 2 1 330.476 2.213 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699878680 1405545901 /nfs/dbraw/zinc/54/59/01/1405545901.db2.gz ZLCQSNLFENTQOJ-IBGZPJMESA-N 2 1 330.476 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000940158269 778191963 /nfs/dbraw/zinc/19/19/63/778191963.db2.gz XSXGMULRLZRARA-IBGZPJMESA-N 2 1 339.483 2.255 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000940158269 778191971 /nfs/dbraw/zinc/19/19/71/778191971.db2.gz XSXGMULRLZRARA-IBGZPJMESA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445659 /nfs/dbraw/zinc/44/56/59/779445659.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445662 /nfs/dbraw/zinc/44/56/62/779445662.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445665 /nfs/dbraw/zinc/44/56/65/779445665.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075406 779795021 /nfs/dbraw/zinc/79/50/21/779795021.db2.gz KMYWNOHNQYZARX-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001565972462 1125478415 /nfs/dbraw/zinc/47/84/15/1125478415.db2.gz CZLLXIAPZUZLST-OIISXLGYSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001566075695 1125548946 /nfs/dbraw/zinc/54/89/46/1125548946.db2.gz VESMLFOZSSBSGI-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001437353135 1089571123 /nfs/dbraw/zinc/57/11/23/1089571123.db2.gz UXUWGUKRXOVKGU-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001437353135 1089571134 /nfs/dbraw/zinc/57/11/34/1089571134.db2.gz UXUWGUKRXOVKGU-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001438809406 1091422320 /nfs/dbraw/zinc/42/23/20/1091422320.db2.gz KPDBNAQVHQVYPE-GOEBONIOSA-N 2 1 338.883 2.237 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206132 1096491670 /nfs/dbraw/zinc/49/16/70/1096491670.db2.gz PFGORKNPOPOLNK-RTBURBONSA-N 2 1 342.487 2.415 10 30 EEEEMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001442321367 1096640082 /nfs/dbraw/zinc/64/00/82/1096640082.db2.gz OBPSCHJZRAZFMQ-ZBFHGGJFSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001480358073 1100129377 /nfs/dbraw/zinc/12/93/77/1100129377.db2.gz LWIRTBCMXWZWKR-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC001495487752 1101197942 /nfs/dbraw/zinc/19/79/42/1101197942.db2.gz HRVHCDRHPAEXEN-APWZRJJASA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC001495487752 1101197944 /nfs/dbraw/zinc/19/79/44/1101197944.db2.gz HRVHCDRHPAEXEN-APWZRJJASA-N 2 1 345.462 2.238 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001496610005 1101213238 /nfs/dbraw/zinc/21/32/38/1101213238.db2.gz ASNGLQITCJDDLE-CEXWTWQISA-N 2 1 329.488 2.248 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496136026 1102119956 /nfs/dbraw/zinc/11/99/56/1102119956.db2.gz CKOHWOSVVNVRJH-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001497829832 1103161498 /nfs/dbraw/zinc/16/14/98/1103161498.db2.gz KHGQNJYWTNLOJM-QJWLNXOLSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001497829832 1103161500 /nfs/dbraw/zinc/16/15/00/1103161500.db2.gz KHGQNJYWTNLOJM-QJWLNXOLSA-N 2 1 339.483 2.282 10 30 EEEEMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448041518 1103872673 /nfs/dbraw/zinc/87/26/73/1103872673.db2.gz KWPLTLYXGJYRKR-AWEZNQCLSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001494862008 1104466762 /nfs/dbraw/zinc/46/67/62/1104466762.db2.gz GOBURQHMCKSMAD-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001494862008 1104466766 /nfs/dbraw/zinc/46/67/66/1104466766.db2.gz GOBURQHMCKSMAD-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862008 1104466770 /nfs/dbraw/zinc/46/67/70/1104466770.db2.gz GOBURQHMCKSMAD-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862008 1104466773 /nfs/dbraw/zinc/46/67/73/1104466773.db2.gz GOBURQHMCKSMAD-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498048402 1106835907 /nfs/dbraw/zinc/83/59/07/1106835907.db2.gz GBHPMOKOQPYAGA-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001499929716 1112544979 /nfs/dbraw/zinc/54/49/79/1112544979.db2.gz KPTMHHJWPMCNDY-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCCCC=C)C[C@@H]2C1 ZINC001501223084 1113250164 /nfs/dbraw/zinc/25/01/64/1113250164.db2.gz DOPZIMRSYCUPKY-ZCNNSNEGSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCCCC=C)C[C@@H]2C1 ZINC001501223084 1113250166 /nfs/dbraw/zinc/25/01/66/1113250166.db2.gz DOPZIMRSYCUPKY-ZCNNSNEGSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCC=C)C[C@@H]2C1 ZINC001501223084 1113250169 /nfs/dbraw/zinc/25/01/69/1113250169.db2.gz DOPZIMRSYCUPKY-ZCNNSNEGSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCC=C)C[C@@H]2C1 ZINC001501223084 1113250172 /nfs/dbraw/zinc/25/01/72/1113250172.db2.gz DOPZIMRSYCUPKY-ZCNNSNEGSA-N 2 1 343.515 2.221 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001502459958 1113691857 /nfs/dbraw/zinc/69/18/57/1113691857.db2.gz MTXNIERIPJCXRN-ROUUACIJSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001502459958 1113691862 /nfs/dbraw/zinc/69/18/62/1113691862.db2.gz MTXNIERIPJCXRN-ROUUACIJSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001506854445 1114918547 /nfs/dbraw/zinc/91/85/47/1114918547.db2.gz LPWZGIINBPGFOA-FHWLQOOXSA-N 2 1 345.531 2.348 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001507328931 1115195101 /nfs/dbraw/zinc/19/51/01/1115195101.db2.gz YJSVKKKBALNQLV-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001508137465 1115425841 /nfs/dbraw/zinc/42/58/41/1115425841.db2.gz UITPJUBQMRXESF-JTTJXQCZSA-N 2 1 325.472 2.354 10 30 EEEEMP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001508221044 1115450547 /nfs/dbraw/zinc/45/05/47/1115450547.db2.gz WQQPCQXWTVSEDU-IBGZPJMESA-N 2 1 340.471 2.147 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC001543302665 1124127158 /nfs/dbraw/zinc/12/71/58/1124127158.db2.gz NFZRMUQZBWUODE-GOSISDBHSA-N 2 1 330.476 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCCC)cc1 ZINC001568117900 1124311526 /nfs/dbraw/zinc/31/15/26/1124311526.db2.gz BLMBZNTUKOYMKO-IBGZPJMESA-N 2 1 327.472 2.290 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCCC)cc1 ZINC001568117900 1124311531 /nfs/dbraw/zinc/31/15/31/1124311531.db2.gz BLMBZNTUKOYMKO-IBGZPJMESA-N 2 1 327.472 2.290 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568970103 1125007859 /nfs/dbraw/zinc/00/78/59/1125007859.db2.gz SLLFVFZTDPZBGX-XTBPLBNGSA-N 2 1 344.297 2.030 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594440268 468589228 /nfs/dbraw/zinc/58/92/28/468589228.db2.gz BFTHMMOPJGLPLX-RTBURBONSA-N 2 1 342.487 2.351 10 30 EEEEMP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C#N)cc1[N+](=O)[O-] ZINC000596361244 469249743 /nfs/dbraw/zinc/24/97/43/469249743.db2.gz KGGYIMBEEOZFLV-AWEZNQCLSA-N 2 1 333.436 2.459 10 30 EEEEMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C#N)cc1[N+](=O)[O-] ZINC000596361244 469249749 /nfs/dbraw/zinc/24/97/49/469249749.db2.gz KGGYIMBEEOZFLV-AWEZNQCLSA-N 2 1 333.436 2.459 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1nc2cc(Cl)ccn2c1C#N ZINC000596425228 469262800 /nfs/dbraw/zinc/26/28/00/469262800.db2.gz RBXVNZWSHLKHIK-UHFFFAOYSA-N 2 1 334.855 2.155 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2cc(Cl)ccn2c1C#N ZINC000596425228 469262802 /nfs/dbraw/zinc/26/28/02/469262802.db2.gz RBXVNZWSHLKHIK-UHFFFAOYSA-N 2 1 334.855 2.155 10 30 EEEEMP C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914336002 683505760 /nfs/dbraw/zinc/50/57/60/683505760.db2.gz WVXJHHHRQBZDOJ-KRWDZBQOSA-N 2 1 348.535 2.236 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)CC)CC1 ZINC001272733382 1192403605 /nfs/dbraw/zinc/40/36/05/1192403605.db2.gz CWXVWEPAYWOLFX-MKXGPGLRSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)CC)CC1 ZINC001272733382 1192403609 /nfs/dbraw/zinc/40/36/09/1192403609.db2.gz CWXVWEPAYWOLFX-MKXGPGLRSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266470059 1176597678 /nfs/dbraw/zinc/59/76/78/1176597678.db2.gz YPFVCHJXUCKGNC-SFHVURJKSA-N 2 1 327.472 2.165 10 30 EEEEMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611835 1176978704 /nfs/dbraw/zinc/97/87/04/1176978704.db2.gz ZVFXCYDEHOFRJM-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611835 1176978711 /nfs/dbraw/zinc/97/87/11/1176978711.db2.gz ZVFXCYDEHOFRJM-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001267243258 1178595685 /nfs/dbraw/zinc/59/56/85/1178595685.db2.gz QHAZRIYGRWTYFI-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC001267243258 1178595688 /nfs/dbraw/zinc/59/56/88/1178595688.db2.gz QHAZRIYGRWTYFI-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(Cl)cc1 ZINC001267243258 1178595694 /nfs/dbraw/zinc/59/56/94/1178595694.db2.gz QHAZRIYGRWTYFI-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(Cl)cc1 ZINC001267243258 1178595700 /nfs/dbraw/zinc/59/57/00/1178595700.db2.gz QHAZRIYGRWTYFI-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001267603986 1179714737 /nfs/dbraw/zinc/71/47/37/1179714737.db2.gz CKRSVUHQLUUPEW-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001267603986 1179714744 /nfs/dbraw/zinc/71/47/44/1179714744.db2.gz CKRSVUHQLUUPEW-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001481280624 1180775609 /nfs/dbraw/zinc/77/56/09/1180775609.db2.gz UOVIFSOFDIAROO-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001481343836 1181078877 /nfs/dbraw/zinc/07/88/77/1181078877.db2.gz WCFPPLWUGBJNTL-YOEHRIQHSA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268192429 1181985562 /nfs/dbraw/zinc/98/55/62/1181985562.db2.gz ONMCZSYJIJRBQR-FUHWJXTLSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1 ZINC001481999837 1183112912 /nfs/dbraw/zinc/11/29/12/1183112912.db2.gz XGQZYDAYCSLMDS-WMZOPIPTSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1 ZINC001481999837 1183112915 /nfs/dbraw/zinc/11/29/15/1183112915.db2.gz XGQZYDAYCSLMDS-WMZOPIPTSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001482001758 1183117441 /nfs/dbraw/zinc/11/74/41/1183117441.db2.gz RNKXCQRBIIMVFF-UHFFFAOYSA-N 2 1 333.520 2.491 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523457 1183177149 /nfs/dbraw/zinc/17/71/49/1183177149.db2.gz QOOKTZUEBNUPIT-LHRDXKRPSA-N 2 1 345.874 2.048 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001270650965 1185266725 /nfs/dbraw/zinc/26/67/25/1185266725.db2.gz ZNEVZWFMBMVKCM-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001270650965 1185266729 /nfs/dbraw/zinc/26/67/29/1185266729.db2.gz ZNEVZWFMBMVKCM-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663941 1185283687 /nfs/dbraw/zinc/28/36/87/1185283687.db2.gz BMTHGRJVPFXPSL-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272780574 1193495243 /nfs/dbraw/zinc/49/52/43/1193495243.db2.gz AMSFEZAJXFDRBS-CKEIUWERSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019445 1188007078 /nfs/dbraw/zinc/00/70/78/1188007078.db2.gz JUOJTQHXOGBCNC-KPDZFXRVSA-N 2 1 337.467 2.034 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019445 1188007081 /nfs/dbraw/zinc/00/70/81/1188007081.db2.gz JUOJTQHXOGBCNC-KPDZFXRVSA-N 2 1 337.467 2.034 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001691809838 1188271757 /nfs/dbraw/zinc/27/17/57/1188271757.db2.gz RADAFLIHAVOPLL-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)CCC)C2 ZINC001691809838 1188271758 /nfs/dbraw/zinc/27/17/58/1188271758.db2.gz RADAFLIHAVOPLL-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691621397 1188321158 /nfs/dbraw/zinc/32/11/58/1188321158.db2.gz UBAZXAMFIBKMAR-YESZJQIVSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848197 1191084442 /nfs/dbraw/zinc/08/44/42/1191084442.db2.gz QSQKJAYBHLEGJW-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCCF)CC1 ZINC001483983812 1191141790 /nfs/dbraw/zinc/14/17/90/1191141790.db2.gz BTJKHPOPLBLYDH-SFHVURJKSA-N 2 1 337.483 2.145 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001484166484 1191254269 /nfs/dbraw/zinc/25/42/69/1191254269.db2.gz HQPWJOBSARBFCT-HXUWFJFHSA-N 2 1 342.487 2.228 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727364 1191487020 /nfs/dbraw/zinc/48/70/20/1191487020.db2.gz BVHLEGMARXZEKY-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362561 1202497151 /nfs/dbraw/zinc/49/71/51/1202497151.db2.gz CLVZJCPPJONQAD-NSHGMRRFSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000886362561 1202497153 /nfs/dbraw/zinc/49/71/53/1202497153.db2.gz CLVZJCPPJONQAD-NSHGMRRFSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000886362561 1202497155 /nfs/dbraw/zinc/49/71/55/1202497155.db2.gz CLVZJCPPJONQAD-NSHGMRRFSA-N 2 1 339.483 2.111 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000930576745 1206568236 /nfs/dbraw/zinc/56/82/36/1206568236.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000930576745 1206568237 /nfs/dbraw/zinc/56/82/37/1206568237.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000930576745 1206568238 /nfs/dbraw/zinc/56/82/38/1206568238.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000930601314 1206569498 /nfs/dbraw/zinc/56/94/98/1206569498.db2.gz GOQIUPPJGQUNTB-FQEVSTJZSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000930601314 1206569499 /nfs/dbraw/zinc/56/94/99/1206569499.db2.gz GOQIUPPJGQUNTB-FQEVSTJZSA-N 2 1 325.456 2.414 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000900667309 1234631049 /nfs/dbraw/zinc/63/10/49/1234631049.db2.gz DCACXCBUPHYUJT-UHFFFAOYSA-N 2 1 348.491 2.128 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473346 1259118767 /nfs/dbraw/zinc/11/87/67/1259118767.db2.gz JGPYNJDGJIELJO-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273823980 1286464909 /nfs/dbraw/zinc/46/49/09/1286464909.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001273823980 1286464913 /nfs/dbraw/zinc/46/49/13/1286464913.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001273823980 1286464918 /nfs/dbraw/zinc/46/49/18/1286464918.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 2 1 341.499 2.447 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCCC)CC2 ZINC001490594208 1291495671 /nfs/dbraw/zinc/49/56/71/1291495671.db2.gz CYXSPGVGFSKZOL-ZWKOTPCHSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCCC)CC2 ZINC001490594208 1291495675 /nfs/dbraw/zinc/49/56/75/1291495675.db2.gz CYXSPGVGFSKZOL-ZWKOTPCHSA-N 2 1 331.504 2.245 10 30 EEEEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760696 1292190109 /nfs/dbraw/zinc/19/01/09/1292190109.db2.gz LUMOCMNUYWVZKJ-LJQANCHMSA-N 2 1 331.460 2.370 10 30 EEEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760696 1292190114 /nfs/dbraw/zinc/19/01/14/1292190114.db2.gz LUMOCMNUYWVZKJ-LJQANCHMSA-N 2 1 331.460 2.370 10 30 EEEEMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC000931309257 1297130556 /nfs/dbraw/zinc/13/05/56/1297130556.db2.gz XOFVJYDWDKOMPT-RTBURBONSA-N 2 1 326.444 2.160 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001277942223 1305214395 /nfs/dbraw/zinc/21/43/95/1305214395.db2.gz WHJKCUSDYVBBIW-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278678401 1317674415 /nfs/dbraw/zinc/67/44/15/1317674415.db2.gz QQZWIEIWCMCNSE-NRFANRHFSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278678401 1317674420 /nfs/dbraw/zinc/67/44/20/1317674420.db2.gz QQZWIEIWCMCNSE-NRFANRHFSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278678401 1317674421 /nfs/dbraw/zinc/67/44/21/1317674421.db2.gz QQZWIEIWCMCNSE-NRFANRHFSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001262019528 1322222845 /nfs/dbraw/zinc/22/28/45/1322222845.db2.gz USUREIFEGNVIOF-RBUKOAKNSA-N 2 1 334.504 2.239 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001264685596 1322784283 /nfs/dbraw/zinc/78/42/83/1322784283.db2.gz MDUHQJKUFDYOST-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001264685596 1322784287 /nfs/dbraw/zinc/78/42/87/1322784287.db2.gz MDUHQJKUFDYOST-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001265073092 1322907505 /nfs/dbraw/zinc/90/75/05/1322907505.db2.gz PTLXSGAUSRYCEL-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001265073092 1322907506 /nfs/dbraw/zinc/90/75/06/1322907506.db2.gz PTLXSGAUSRYCEL-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001265673241 1323312720 /nfs/dbraw/zinc/31/27/20/1323312720.db2.gz ASBKBIKUWXJNGJ-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001265673241 1323312726 /nfs/dbraw/zinc/31/27/26/1323312726.db2.gz ASBKBIKUWXJNGJ-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001265917366 1323483924 /nfs/dbraw/zinc/48/39/24/1323483924.db2.gz LUWCNHUGHZLLNP-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001280128644 1324091710 /nfs/dbraw/zinc/09/17/10/1324091710.db2.gz QPZUBQNNDYGGQI-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001281508598 1325192477 /nfs/dbraw/zinc/19/24/77/1325192477.db2.gz JAIPKRWPYHRQMO-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001282678329 1325763617 /nfs/dbraw/zinc/76/36/17/1325763617.db2.gz QPNTZCIUZGTSKA-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001282678329 1325763618 /nfs/dbraw/zinc/76/36/18/1325763618.db2.gz QPNTZCIUZGTSKA-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316622377 1325799582 /nfs/dbraw/zinc/79/95/82/1325799582.db2.gz MNPFTEHZYXESHD-BGYRXZFFSA-N 2 1 341.499 2.254 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283213537 1325957606 /nfs/dbraw/zinc/95/76/06/1325957606.db2.gz DVVGHVKORVWUQE-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC001283925105 1326322565 /nfs/dbraw/zinc/32/25/65/1326322565.db2.gz BZWLZIDWVSDLRK-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578833 1330171767 /nfs/dbraw/zinc/17/17/67/1330171767.db2.gz HLESIZUDFWANJZ-HOTGVXAUSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001316805540 1331902946 /nfs/dbraw/zinc/90/29/46/1331902946.db2.gz DYCNARKROXBNRX-AWEZNQCLSA-N 2 1 336.505 2.034 10 30 EEEEMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001316924532 1331991368 /nfs/dbraw/zinc/99/13/68/1331991368.db2.gz VJYLWKOOBUVIQJ-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001316924532 1331991370 /nfs/dbraw/zinc/99/13/70/1331991370.db2.gz VJYLWKOOBUVIQJ-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318416379 1332529251 /nfs/dbraw/zinc/52/92/51/1332529251.db2.gz NUFAQTMBZDWFTC-KRWDZBQOSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319111738 1332650820 /nfs/dbraw/zinc/65/08/20/1332650820.db2.gz MLYUVCWBMCBOAK-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001323734186 1333527382 /nfs/dbraw/zinc/52/73/82/1333527382.db2.gz YRLRRXFZVATLBZ-UHFFFAOYSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001323734186 1333527385 /nfs/dbraw/zinc/52/73/85/1333527385.db2.gz YRLRRXFZVATLBZ-UHFFFAOYSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324412448 1333677468 /nfs/dbraw/zinc/67/74/68/1333677468.db2.gz AULZFXIBFNWANG-PKOBYXMFSA-N 2 1 331.504 2.362 10 30 EEEEMP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001324419873 1333679014 /nfs/dbraw/zinc/67/90/14/1333679014.db2.gz GRCVONGNNXRPDZ-UHFFFAOYSA-N 2 1 337.895 2.007 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001325053017 1333818997 /nfs/dbraw/zinc/81/89/97/1333818997.db2.gz FTOULZQDXWUFLR-CABCVRRESA-N 2 1 331.451 2.222 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccccc1CC ZINC001325363090 1333872227 /nfs/dbraw/zinc/87/22/27/1333872227.db2.gz PMMUOIYLGQQAOA-MOPGFXCFSA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccccc1CC ZINC001325363090 1333872228 /nfs/dbraw/zinc/87/22/28/1333872228.db2.gz PMMUOIYLGQQAOA-MOPGFXCFSA-N 2 1 327.472 2.113 10 30 EEEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001328577571 1334482751 /nfs/dbraw/zinc/48/27/51/1334482751.db2.gz IDNFETIYBXVRDC-KRWDZBQOSA-N 2 1 330.476 2.192 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001328812420 1334528058 /nfs/dbraw/zinc/52/80/58/1334528058.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328812420 1334528062 /nfs/dbraw/zinc/52/80/62/1334528062.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328812420 1334528066 /nfs/dbraw/zinc/52/80/66/1334528066.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332281985 1335790921 /nfs/dbraw/zinc/79/09/21/1335790921.db2.gz NYGIAIIQADJQFJ-CABCVRRESA-N 2 1 334.464 2.191 10 30 EEEEMP C=CC[N@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001332720550 1335891139 /nfs/dbraw/zinc/89/11/39/1335891139.db2.gz QTCBWXWTUVWFQH-UHFFFAOYSA-N 2 1 327.432 2.236 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001333391059 1336030022 /nfs/dbraw/zinc/03/00/22/1336030022.db2.gz NEDKVJUOWBZKKN-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC)CC1 ZINC001502496311 1342198426 /nfs/dbraw/zinc/19/84/26/1342198426.db2.gz ONRPEYUOMYFAAF-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC)CC1 ZINC001502496311 1342198428 /nfs/dbraw/zinc/19/84/28/1342198428.db2.gz ONRPEYUOMYFAAF-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001558243282 1342469716 /nfs/dbraw/zinc/46/97/16/1342469716.db2.gz VTSVTFHXNWEZHX-QUCCMNQESA-N 2 1 327.472 2.085 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001566711315 1342610338 /nfs/dbraw/zinc/61/03/38/1342610338.db2.gz LUQPPMFDOJPOHD-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001566711315 1342610339 /nfs/dbraw/zinc/61/03/39/1342610339.db2.gz LUQPPMFDOJPOHD-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001567024515 1342682394 /nfs/dbraw/zinc/68/23/94/1342682394.db2.gz NRQGGUHRMGHRKI-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001567024515 1342682397 /nfs/dbraw/zinc/68/23/97/1342682397.db2.gz NRQGGUHRMGHRKI-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001569518091 1342891591 /nfs/dbraw/zinc/89/15/91/1342891591.db2.gz BUQDNUGVBALAMD-HUUCEWRRSA-N 2 1 334.464 2.285 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001570275609 1343049374 /nfs/dbraw/zinc/04/93/74/1343049374.db2.gz YXJCIFFUNPRTED-ICSRJNTNSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001570955008 1343142927 /nfs/dbraw/zinc/14/29/27/1343142927.db2.gz LOQUNXVWPYJOJV-OSYLJGHBSA-N 2 1 330.476 2.267 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001570955008 1343142931 /nfs/dbraw/zinc/14/29/31/1343142931.db2.gz LOQUNXVWPYJOJV-OSYLJGHBSA-N 2 1 330.476 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]Cc1ccsc1)C(C)C ZINC001571349907 1343193952 /nfs/dbraw/zinc/19/39/52/1343193952.db2.gz IWACSPFDYQANSU-MSOLQXFVSA-N 2 1 347.528 2.466 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]Cc1ccsc1)C(C)C ZINC001571349907 1343193965 /nfs/dbraw/zinc/19/39/65/1343193965.db2.gz IWACSPFDYQANSU-MSOLQXFVSA-N 2 1 347.528 2.466 10 30 EEEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001676249537 1357126556 /nfs/dbraw/zinc/12/65/56/1357126556.db2.gz MHXGQWIGWDSJDD-GOSISDBHSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235065 1354614588 /nfs/dbraw/zinc/61/45/88/1354614588.db2.gz DBXUFRCFSDFSSP-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC001671569967 1356364720 /nfs/dbraw/zinc/36/47/20/1356364720.db2.gz PNBCVUTVDSWLNK-FQEVSTJZSA-N 2 1 341.499 2.406 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001671569967 1356364721 /nfs/dbraw/zinc/36/47/21/1356364721.db2.gz PNBCVUTVDSWLNK-FQEVSTJZSA-N 2 1 341.499 2.406 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916304 1356438137 /nfs/dbraw/zinc/43/81/37/1356438137.db2.gz IUDWPJAZMGNLIN-OAQYLSRUSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916304 1356438139 /nfs/dbraw/zinc/43/81/39/1356438139.db2.gz IUDWPJAZMGNLIN-OAQYLSRUSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671916304 1356438142 /nfs/dbraw/zinc/43/81/42/1356438142.db2.gz IUDWPJAZMGNLIN-OAQYLSRUSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671916304 1356438145 /nfs/dbraw/zinc/43/81/45/1356438145.db2.gz IUDWPJAZMGNLIN-OAQYLSRUSA-N 2 1 341.499 2.360 10 30 EEEEMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001672348099 1356506407 /nfs/dbraw/zinc/50/64/07/1356506407.db2.gz IADPTTGSXWMRAA-BCDXTJNWSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC001674205072 1356805057 /nfs/dbraw/zinc/80/50/57/1356805057.db2.gz FEDNEQZZCYJNSU-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC001674205072 1356805052 /nfs/dbraw/zinc/80/50/52/1356805052.db2.gz FEDNEQZZCYJNSU-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC001674205072 1356805054 /nfs/dbraw/zinc/80/50/54/1356805054.db2.gz FEDNEQZZCYJNSU-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC001674205072 1356805060 /nfs/dbraw/zinc/80/50/60/1356805060.db2.gz FEDNEQZZCYJNSU-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343065 1356968037 /nfs/dbraw/zinc/96/80/37/1356968037.db2.gz JDFZGKIIGLRZMW-KDOFPFPSSA-N 2 1 325.472 2.212 10 30 EEEEMP CC#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCC1 ZINC001698798304 1405073356 /nfs/dbraw/zinc/07/33/56/1405073356.db2.gz MPEJJEUUMOXRMI-MRXNPFEDSA-N 2 1 330.476 2.439 10 30 EEEEMP C#CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CCF)CC1 ZINC001699785279 1405483407 /nfs/dbraw/zinc/48/34/07/1405483407.db2.gz JYVGYSTWNVGDEA-UHFFFAOYSA-N 2 1 349.494 2.004 10 30 EEEEMP C#CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921565635 789751371 /nfs/dbraw/zinc/75/13/71/789751371.db2.gz NNYNINULHMNJBI-SFHVURJKSA-N 2 1 348.535 2.093 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001440796689 1094038124 /nfs/dbraw/zinc/03/81/24/1094038124.db2.gz KZCPZVOOYMYEPA-OLZOCXBDSA-N 2 1 334.489 2.087 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441543156 1095264261 /nfs/dbraw/zinc/26/42/61/1095264261.db2.gz FEYCEKCOHCTVQC-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Br)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686088 1095668555 /nfs/dbraw/zinc/66/85/55/1095668555.db2.gz JTBJHCGRBYTMME-UONOGXRCSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686088 1095668562 /nfs/dbraw/zinc/66/85/62/1095668562.db2.gz JTBJHCGRBYTMME-UONOGXRCSA-N 2 1 346.313 2.063 10 30 EEEEMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001480412008 1100229728 /nfs/dbraw/zinc/22/97/28/1100229728.db2.gz ZTAPWCHSACAJKW-CTWPCTMYSA-N 2 1 327.472 2.330 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001446551561 1101021195 /nfs/dbraw/zinc/02/11/95/1101021195.db2.gz IWBMCGDQMCOVIT-QGZVFWFLSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001446551561 1101021202 /nfs/dbraw/zinc/02/12/02/1101021202.db2.gz IWBMCGDQMCOVIT-QGZVFWFLSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001446551561 1101021212 /nfs/dbraw/zinc/02/12/12/1101021212.db2.gz IWBMCGDQMCOVIT-QGZVFWFLSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001446551561 1101021218 /nfs/dbraw/zinc/02/12/18/1101021218.db2.gz IWBMCGDQMCOVIT-QGZVFWFLSA-N 2 1 334.489 2.041 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039082 1103868320 /nfs/dbraw/zinc/86/83/20/1103868320.db2.gz MOHCIKXKJZXOHE-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039082 1103868332 /nfs/dbraw/zinc/86/83/32/1103868332.db2.gz MOHCIKXKJZXOHE-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001448039082 1103868337 /nfs/dbraw/zinc/86/83/37/1103868337.db2.gz MOHCIKXKJZXOHE-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001448039082 1103868349 /nfs/dbraw/zinc/86/83/49/1103868349.db2.gz MOHCIKXKJZXOHE-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001498304935 1107256105 /nfs/dbraw/zinc/25/61/05/1107256105.db2.gz HPMAZFBDOKWWKO-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001498304935 1107256116 /nfs/dbraw/zinc/25/61/16/1107256116.db2.gz HPMAZFBDOKWWKO-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(Cl)cc1 ZINC001498304935 1107256125 /nfs/dbraw/zinc/25/61/25/1107256125.db2.gz HPMAZFBDOKWWKO-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(Cl)cc1 ZINC001498304935 1107256134 /nfs/dbraw/zinc/25/61/34/1107256134.db2.gz HPMAZFBDOKWWKO-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066434 1108529019 /nfs/dbraw/zinc/52/90/19/1108529019.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066434 1108529027 /nfs/dbraw/zinc/52/90/27/1108529027.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066434 1108529040 /nfs/dbraw/zinc/52/90/40/1108529040.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(Br)CN1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001500012810 1112579125 /nfs/dbraw/zinc/57/91/25/1112579125.db2.gz KSVXHPYFHHHMGW-UHFFFAOYSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001505937478 1114289675 /nfs/dbraw/zinc/28/96/75/1114289675.db2.gz FMPHYSIQRAVGRR-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001505937478 1114289678 /nfs/dbraw/zinc/28/96/78/1114289678.db2.gz FMPHYSIQRAVGRR-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001505937478 1114289680 /nfs/dbraw/zinc/28/96/80/1114289680.db2.gz FMPHYSIQRAVGRR-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001505937478 1114289682 /nfs/dbraw/zinc/28/96/82/1114289682.db2.gz FMPHYSIQRAVGRR-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855808 /nfs/dbraw/zinc/85/58/08/1114855808.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855811 /nfs/dbraw/zinc/85/58/11/1114855811.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855813 /nfs/dbraw/zinc/85/58/13/1114855813.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081245 1115098050 /nfs/dbraw/zinc/09/80/50/1115098050.db2.gz BKLKMPAGNVCERX-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001567924320 1124183164 /nfs/dbraw/zinc/18/31/64/1124183164.db2.gz BNKBOFXQIDKOSO-OAHLLOKOSA-N 2 1 348.516 2.384 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001567924320 1124183165 /nfs/dbraw/zinc/18/31/65/1124183165.db2.gz BNKBOFXQIDKOSO-OAHLLOKOSA-N 2 1 348.516 2.384 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001568730701 1124744965 /nfs/dbraw/zinc/74/49/65/1124744965.db2.gz LENFKAOTPCQXHZ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001569342353 1125242948 /nfs/dbraw/zinc/24/29/48/1125242948.db2.gz GZBVZVTYGXMEPC-UXHICEINSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001569342353 1125242952 /nfs/dbraw/zinc/24/29/52/1125242952.db2.gz GZBVZVTYGXMEPC-UXHICEINSA-N 2 1 341.499 2.358 10 30 EEEEMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000564090182 319066628 /nfs/dbraw/zinc/06/66/28/319066628.db2.gz MIQGXCIUXFDPAX-KRWDZBQOSA-N 2 1 346.431 2.399 10 30 EEEEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000564090182 319066631 /nfs/dbraw/zinc/06/66/31/319066631.db2.gz MIQGXCIUXFDPAX-KRWDZBQOSA-N 2 1 346.431 2.399 10 30 EEEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091334303 462873844 /nfs/dbraw/zinc/87/38/44/462873844.db2.gz IOUIOVHDGXIKDL-CQSZACIVSA-N 2 1 337.489 2.025 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594437797 468586881 /nfs/dbraw/zinc/58/68/81/468586881.db2.gz FNNSGMSLHPXLDZ-NJAFHUGGSA-N 2 1 328.460 2.177 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1 ZINC000562989825 469125629 /nfs/dbraw/zinc/12/56/29/469125629.db2.gz SYVGBKSTQVSJGK-KXBFYZLASA-N 2 1 341.459 2.038 10 30 EEEEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000610989564 469131780 /nfs/dbraw/zinc/13/17/80/469131780.db2.gz OFXNUVOKBBVRNN-HQRMLTQVSA-N 2 1 345.487 2.154 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)(F)F)ccc1C#N ZINC000596425862 469262546 /nfs/dbraw/zinc/26/25/46/469262546.db2.gz XOJREYNIKWFWNQ-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)(F)F)ccc1C#N ZINC000596425862 469262552 /nfs/dbraw/zinc/26/25/52/469262552.db2.gz XOJREYNIKWFWNQ-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C#CCN(C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357201 683530086 /nfs/dbraw/zinc/53/00/86/683530086.db2.gz CAVOXIZUIGDPPR-KSZLIROESA-N 2 1 348.535 2.092 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748156 1191930190 /nfs/dbraw/zinc/93/01/90/1191930190.db2.gz KVXYWXDMSCCSGC-GDBMZVCRSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001272701589 1191961478 /nfs/dbraw/zinc/96/14/78/1191961478.db2.gz XCCJSWMCVHAHJB-WMZOPIPTSA-N 2 1 327.472 2.319 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266431157 1176526217 /nfs/dbraw/zinc/52/62/17/1176526217.db2.gz LDXKHCINMNDHJH-CEXWTWQISA-N 2 1 327.472 2.002 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266878796 1177690770 /nfs/dbraw/zinc/69/07/70/1177690770.db2.gz MMDVAXXZNOCYBE-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001480906671 1177910456 /nfs/dbraw/zinc/91/04/56/1177910456.db2.gz BBWUXMFYKPPQCH-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001480906671 1177910463 /nfs/dbraw/zinc/91/04/63/1177910463.db2.gz BBWUXMFYKPPQCH-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001267557874 1179357599 /nfs/dbraw/zinc/35/75/99/1179357599.db2.gz OBXVSXDCYHOHPG-IRXDYDNUSA-N 2 1 330.476 2.240 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001268239524 1182064390 /nfs/dbraw/zinc/06/43/90/1182064390.db2.gz SLLAIEVIGREWFT-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001268239524 1182064399 /nfs/dbraw/zinc/06/43/99/1182064399.db2.gz SLLAIEVIGREWFT-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(Cl)cc1 ZINC001268239524 1182064404 /nfs/dbraw/zinc/06/44/04/1182064404.db2.gz SLLAIEVIGREWFT-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(Cl)cc1 ZINC001268239524 1182064409 /nfs/dbraw/zinc/06/44/09/1182064409.db2.gz SLLAIEVIGREWFT-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001481984461 1183086871 /nfs/dbraw/zinc/08/68/71/1183086871.db2.gz PXHKYUJPOZILRP-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001482032723 1183174061 /nfs/dbraw/zinc/17/40/61/1183174061.db2.gz IPOMLZCVQSJHCY-IBGZPJMESA-N 2 1 327.472 2.148 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001270237891 1184949587 /nfs/dbraw/zinc/94/95/87/1184949587.db2.gz YUHHFQWRPFLVQH-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439879 1185725033 /nfs/dbraw/zinc/72/50/33/1185725033.db2.gz WXMTXFIOWYSBRW-QUCCMNQESA-N 2 1 341.499 2.205 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001482479609 1186054887 /nfs/dbraw/zinc/05/48/87/1186054887.db2.gz CUGKIWQEUGBDJO-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001482479609 1186054891 /nfs/dbraw/zinc/05/48/91/1186054891.db2.gz CUGKIWQEUGBDJO-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054394 1187292180 /nfs/dbraw/zinc/29/21/80/1187292180.db2.gz VJICAJCYEDCKNN-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054394 1187292183 /nfs/dbraw/zinc/29/21/83/1187292183.db2.gz VJICAJCYEDCKNN-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054394 1187292189 /nfs/dbraw/zinc/29/21/89/1187292189.db2.gz VJICAJCYEDCKNN-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272054394 1187292199 /nfs/dbraw/zinc/29/21/99/1187292199.db2.gz VJICAJCYEDCKNN-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001483050392 1188293632 /nfs/dbraw/zinc/29/36/32/1188293632.db2.gz HHJNOTVLRFTZGM-AQIYZVDXSA-N 2 1 339.483 2.030 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483197857 1189083651 /nfs/dbraw/zinc/08/36/51/1189083651.db2.gz SDPBGOIOEMVXCJ-OAHLLOKOSA-N 2 1 335.879 2.126 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272343845 1190777980 /nfs/dbraw/zinc/77/79/80/1190777980.db2.gz PELZNJIFGSBSFY-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001272343845 1190777982 /nfs/dbraw/zinc/77/79/82/1190777982.db2.gz PELZNJIFGSBSFY-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001483817811 1191046463 /nfs/dbraw/zinc/04/64/63/1191046463.db2.gz ZTTKVAOZSPNVHO-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001483817811 1191046465 /nfs/dbraw/zinc/04/64/65/1191046465.db2.gz ZTTKVAOZSPNVHO-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001483817811 1191046468 /nfs/dbraw/zinc/04/64/68/1191046468.db2.gz ZTTKVAOZSPNVHO-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001483818944 1191047270 /nfs/dbraw/zinc/04/72/70/1191047270.db2.gz XMGWIGMOMKXJPF-HXUWFJFHSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCCC=C)CC1 ZINC001483984834 1191142638 /nfs/dbraw/zinc/14/26/38/1191142638.db2.gz AIXZRIFJBQYDEF-UHFFFAOYSA-N 2 1 331.504 2.363 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001484167189 1191254635 /nfs/dbraw/zinc/25/46/35/1191254635.db2.gz PYVWEUPUYNXZOP-FQEVSTJZSA-N 2 1 342.487 2.228 10 30 EEEEMP C#CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001485450544 1191789592 /nfs/dbraw/zinc/78/95/92/1191789592.db2.gz JQNGMFVZHFXVKR-MRXNPFEDSA-N 2 1 330.476 2.439 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471449 1191801469 /nfs/dbraw/zinc/80/14/69/1191801469.db2.gz HDAVEEVCUDWKFI-MOPGFXCFSA-N 2 1 342.487 2.275 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001273000143 1194307666 /nfs/dbraw/zinc/30/76/66/1194307666.db2.gz WSHQFGMWMVYJDF-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872240335 1198106380 /nfs/dbraw/zinc/10/63/80/1198106380.db2.gz WDTNLQORPYRHSP-LEWJYISDSA-N 2 1 335.451 2.108 10 30 EEEEMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872240335 1198106386 /nfs/dbraw/zinc/10/63/86/1198106386.db2.gz WDTNLQORPYRHSP-LEWJYISDSA-N 2 1 335.451 2.108 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762249 1199761426 /nfs/dbraw/zinc/76/14/26/1199761426.db2.gz CXZFFRWSPSSOOV-SJORKVTESA-N 2 1 335.879 2.437 10 30 EEEEMP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2ccccc2C#N)CC1 ZINC001274412004 1205025453 /nfs/dbraw/zinc/02/54/53/1205025453.db2.gz BYZHFBXOHLGWPK-SNAWJCMRSA-N 2 1 340.471 2.052 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001273624133 1281585581 /nfs/dbraw/zinc/58/55/81/1281585581.db2.gz PTRMQVQORRFICI-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001273624133 1281585589 /nfs/dbraw/zinc/58/55/89/1281585589.db2.gz PTRMQVQORRFICI-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001273783035 1285663374 /nfs/dbraw/zinc/66/33/74/1285663374.db2.gz SUBMRAKJQMKRIK-KRWDZBQOSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001489333916 1290515723 /nfs/dbraw/zinc/51/57/23/1290515723.db2.gz AHIHKVYBEUJMDO-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001489333916 1290515729 /nfs/dbraw/zinc/51/57/29/1290515729.db2.gz AHIHKVYBEUJMDO-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001489333916 1290515735 /nfs/dbraw/zinc/51/57/35/1290515735.db2.gz AHIHKVYBEUJMDO-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001489333916 1290515740 /nfs/dbraw/zinc/51/57/40/1290515740.db2.gz AHIHKVYBEUJMDO-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001277375356 1302720415 /nfs/dbraw/zinc/72/04/15/1302720415.db2.gz ASLNFQGYLLWNBC-SFHVURJKSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001277375356 1302720424 /nfs/dbraw/zinc/72/04/24/1302720424.db2.gz ASLNFQGYLLWNBC-SFHVURJKSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCF)C1CCCCCC1 ZINC001277375356 1302720431 /nfs/dbraw/zinc/72/04/31/1302720431.db2.gz ASLNFQGYLLWNBC-SFHVURJKSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCF)C1CCCCCC1 ZINC001277375356 1302720436 /nfs/dbraw/zinc/72/04/36/1302720436.db2.gz ASLNFQGYLLWNBC-SFHVURJKSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001277448323 1303105856 /nfs/dbraw/zinc/10/58/56/1303105856.db2.gz ZBRYFKOPQOSJSJ-UHFFFAOYSA-N 2 1 327.472 2.308 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001264677592 1322779382 /nfs/dbraw/zinc/77/93/82/1322779382.db2.gz DLISSGZOPHMIEB-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001281088088 1322856508 /nfs/dbraw/zinc/85/65/08/1322856508.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCC=C)C2)C1 ZINC001281088088 1322856512 /nfs/dbraw/zinc/85/65/12/1322856512.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001281088088 1322856517 /nfs/dbraw/zinc/85/65/17/1322856517.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC=C)C2)C1 ZINC001281088088 1322856521 /nfs/dbraw/zinc/85/65/21/1322856521.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC=C)C2)C1 ZINC001281088088 1322856527 /nfs/dbraw/zinc/85/65/27/1322856527.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265396278 1323126862 /nfs/dbraw/zinc/12/68/62/1323126862.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396278 1323126865 /nfs/dbraw/zinc/12/68/65/1323126865.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396278 1323126881 /nfs/dbraw/zinc/12/68/81/1323126881.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265827553 1323406128 /nfs/dbraw/zinc/40/61/28/1323406128.db2.gz RCQDDULJJABQBH-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001265978616 1323538406 /nfs/dbraw/zinc/53/84/06/1323538406.db2.gz SEUDGVXZZIDSSW-UHFFFAOYSA-N 2 1 345.531 2.350 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266241900 1323830573 /nfs/dbraw/zinc/83/05/73/1323830573.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266241900 1323830551 /nfs/dbraw/zinc/83/05/51/1323830551.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266241900 1323830556 /nfs/dbraw/zinc/83/05/56/1323830556.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359055 /nfs/dbraw/zinc/35/90/55/1330359055.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359057 /nfs/dbraw/zinc/35/90/57/1330359057.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359067 /nfs/dbraw/zinc/35/90/67/1330359067.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001316672092 1331153333 /nfs/dbraw/zinc/15/33/33/1331153333.db2.gz UUKBATULWJBAEW-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001316672092 1331153335 /nfs/dbraw/zinc/15/33/35/1331153335.db2.gz UUKBATULWJBAEW-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001316955129 1332014733 /nfs/dbraw/zinc/01/47/33/1332014733.db2.gz PZLBFBYYNVOCPG-HNNXBMFYSA-N 2 1 348.516 2.432 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001316955129 1332014735 /nfs/dbraw/zinc/01/47/35/1332014735.db2.gz PZLBFBYYNVOCPG-HNNXBMFYSA-N 2 1 348.516 2.432 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317090162 1332075096 /nfs/dbraw/zinc/07/50/96/1332075096.db2.gz NFCYNMKFQSAQON-WKILWMFISA-N 2 1 325.416 2.084 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180970 1332118171 /nfs/dbraw/zinc/11/81/71/1332118171.db2.gz NRXMDPRHEZVTDG-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001317258304 1332155969 /nfs/dbraw/zinc/15/59/69/1332155969.db2.gz PEZHMZWPHRKJKN-ZBFHGGJFSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001317258304 1332155971 /nfs/dbraw/zinc/15/59/71/1332155971.db2.gz PEZHMZWPHRKJKN-ZBFHGGJFSA-N 2 1 341.446 2.004 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317642729 1332344579 /nfs/dbraw/zinc/34/45/79/1332344579.db2.gz KZDKRSRBXRPILA-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001325656343 1333934204 /nfs/dbraw/zinc/93/42/04/1333934204.db2.gz NYPZSOJTBNIWNI-NCXUSEDFSA-N 2 1 331.504 2.149 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001328795796 1334522889 /nfs/dbraw/zinc/52/28/89/1334522889.db2.gz FCWMQWJXGBFDSL-HXUWFJFHSA-N 2 1 341.499 2.301 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601718 1334682543 /nfs/dbraw/zinc/68/25/43/1334682543.db2.gz VWGSNZSMUFZPLV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601718 1334682546 /nfs/dbraw/zinc/68/25/46/1334682546.db2.gz VWGSNZSMUFZPLV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601718 1334682549 /nfs/dbraw/zinc/68/25/49/1334682549.db2.gz VWGSNZSMUFZPLV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601718 1334682553 /nfs/dbraw/zinc/68/25/53/1334682553.db2.gz VWGSNZSMUFZPLV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCc2cccs2)CC1 ZINC001329625861 1334686706 /nfs/dbraw/zinc/68/67/06/1334686706.db2.gz YDHUGOMGDAQCDA-INIZCTEOSA-N 2 1 347.528 2.072 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001569706163 1342927427 /nfs/dbraw/zinc/92/74/27/1342927427.db2.gz BMCFGEVYQLYMPW-MSOLQXFVSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001649462205 1353518787 /nfs/dbraw/zinc/51/87/87/1353518787.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462205 1353518791 /nfs/dbraw/zinc/51/87/91/1353518791.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462205 1353518794 /nfs/dbraw/zinc/51/87/94/1353518794.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001656665245 1354261435 /nfs/dbraw/zinc/26/14/35/1354261435.db2.gz RISZZMQGXUJTCZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001656665245 1354261438 /nfs/dbraw/zinc/26/14/38/1354261438.db2.gz RISZZMQGXUJTCZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001656665245 1354261441 /nfs/dbraw/zinc/26/14/41/1354261441.db2.gz RISZZMQGXUJTCZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001656665245 1354261446 /nfs/dbraw/zinc/26/14/46/1354261446.db2.gz RISZZMQGXUJTCZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001673230135 1356655940 /nfs/dbraw/zinc/65/59/40/1356655940.db2.gz JIHQLVOOWSYYDA-LJQANCHMSA-N 2 1 339.483 2.008 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001674271735 1356810272 /nfs/dbraw/zinc/81/02/72/1356810272.db2.gz MGXNEXHBTFAVSU-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001674271735 1356810274 /nfs/dbraw/zinc/81/02/74/1356810274.db2.gz MGXNEXHBTFAVSU-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001674271735 1356810276 /nfs/dbraw/zinc/81/02/76/1356810276.db2.gz MGXNEXHBTFAVSU-PXNSSMCTSA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001674343371 1356821783 /nfs/dbraw/zinc/82/17/83/1356821783.db2.gz TYTZGGCGRSCHOJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001674343371 1356821788 /nfs/dbraw/zinc/82/17/88/1356821788.db2.gz TYTZGGCGRSCHOJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001674343371 1356821794 /nfs/dbraw/zinc/82/17/94/1356821794.db2.gz TYTZGGCGRSCHOJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939430 1356914346 /nfs/dbraw/zinc/91/43/46/1356914346.db2.gz VFORIVMTEKIYDY-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939430 1356914349 /nfs/dbraw/zinc/91/43/49/1356914349.db2.gz VFORIVMTEKIYDY-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001674939430 1356914350 /nfs/dbraw/zinc/91/43/50/1356914350.db2.gz VFORIVMTEKIYDY-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674939430 1356914353 /nfs/dbraw/zinc/91/43/53/1356914353.db2.gz VFORIVMTEKIYDY-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001675701624 1357040472 /nfs/dbraw/zinc/04/04/72/1357040472.db2.gz HPPIDVQJMJFOMP-SFHVURJKSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797017 1405489314 /nfs/dbraw/zinc/48/93/14/1405489314.db2.gz SASHRBWYBZJILB-APWZRJJASA-N 2 1 337.483 2.097 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001699990574 1405642498 /nfs/dbraw/zinc/64/24/98/1405642498.db2.gz FSGDULZKJPXOQM-HDICACEKSA-N 2 1 331.504 2.219 10 30 EEEEMP [NH2+]=C(NCc1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000078813615 757266584 /nfs/dbraw/zinc/26/65/84/757266584.db2.gz GXBBXUSWCGWYCE-UHFFFAOYSA-N 2 1 344.484 2.185 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918000 779540689 /nfs/dbraw/zinc/54/06/89/779540689.db2.gz HZQYIZKTGMIHPC-IBGZPJMESA-N 2 1 341.499 2.254 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[NH2+]CCC2(C)C)c(OC)c1 ZINC000923413715 789521692 /nfs/dbraw/zinc/52/16/92/789521692.db2.gz HBLMUSXBPRKKNB-QGZVFWFLSA-N 2 1 348.487 2.237 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[NH2+]CCC2(C)C)c(OC)c1 ZINC000923413715 789521699 /nfs/dbraw/zinc/52/16/99/789521699.db2.gz HBLMUSXBPRKKNB-QGZVFWFLSA-N 2 1 348.487 2.237 10 30 EEEEMP N#Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000922239694 800001396 /nfs/dbraw/zinc/00/13/96/800001396.db2.gz KKEMWZVZMKJFDN-KRWDZBQOSA-N 2 1 327.453 2.476 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741767 /nfs/dbraw/zinc/74/17/67/1125741767.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741771 /nfs/dbraw/zinc/74/17/71/1125741771.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741775 /nfs/dbraw/zinc/74/17/75/1125741775.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163910 1089178596 /nfs/dbraw/zinc/17/85/96/1089178596.db2.gz KUGVPWHKTVBERW-YOEHRIQHSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001437382372 1089630412 /nfs/dbraw/zinc/63/04/12/1089630412.db2.gz LAROEPVIJMGAGA-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105859 /nfs/dbraw/zinc/10/58/59/1090105859.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105861 /nfs/dbraw/zinc/10/58/61/1090105861.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105865 /nfs/dbraw/zinc/10/58/65/1090105865.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001439465977 1092250439 /nfs/dbraw/zinc/25/04/39/1092250439.db2.gz GYGIGBMPHQCDKY-HZPDHXFCSA-N 2 1 327.900 2.344 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001449053559 1094069056 /nfs/dbraw/zinc/06/90/56/1094069056.db2.gz YCTJAOHVZNGMLE-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001449053559 1094069062 /nfs/dbraw/zinc/06/90/62/1094069062.db2.gz YCTJAOHVZNGMLE-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Br)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686086 1095668626 /nfs/dbraw/zinc/66/86/26/1095668626.db2.gz JTBJHCGRBYTMME-KBPBESRZSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686086 1095668630 /nfs/dbraw/zinc/66/86/30/1095668630.db2.gz JTBJHCGRBYTMME-KBPBESRZSA-N 2 1 346.313 2.063 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CC[NH+](C)C ZINC001442114673 1096344114 /nfs/dbraw/zinc/34/41/14/1096344114.db2.gz GOGRLXVRJYUEPE-UHFFFAOYSA-N 2 1 330.476 2.179 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(C)c1 ZINC001479776703 1098957486 /nfs/dbraw/zinc/95/74/86/1098957486.db2.gz NDYWXZUVIXEYPK-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cccc(C)c1 ZINC001479776703 1098957491 /nfs/dbraw/zinc/95/74/91/1098957491.db2.gz NDYWXZUVIXEYPK-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(C)c1 ZINC001479776703 1098957501 /nfs/dbraw/zinc/95/75/01/1098957501.db2.gz NDYWXZUVIXEYPK-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(C)c1 ZINC001479776703 1098957510 /nfs/dbraw/zinc/95/75/10/1098957510.db2.gz NDYWXZUVIXEYPK-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472621 1100280931 /nfs/dbraw/zinc/28/09/31/1100280931.db2.gz QNJZCFQDDDSXQG-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001497200223 1102114332 /nfs/dbraw/zinc/11/43/32/1102114332.db2.gz ZCLKIGLEUFANEN-KGLIPLIRSA-N 2 1 346.313 2.254 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497252686 1102194845 /nfs/dbraw/zinc/19/48/45/1102194845.db2.gz AXGWRMGRIRNWCE-KKUMJFAQSA-N 2 1 348.516 2.334 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730826 1106995434 /nfs/dbraw/zinc/99/54/34/1106995434.db2.gz MHDBCMYHEGPNJE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480730826 1106995444 /nfs/dbraw/zinc/99/54/44/1106995444.db2.gz MHDBCMYHEGPNJE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480730826 1106995457 /nfs/dbraw/zinc/99/54/57/1106995457.db2.gz MHDBCMYHEGPNJE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368194 1107401749 /nfs/dbraw/zinc/40/17/49/1107401749.db2.gz RFMXKKDTJAILCN-HBFSDRIKSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368194 1107401776 /nfs/dbraw/zinc/40/17/76/1107401776.db2.gz RFMXKKDTJAILCN-HBFSDRIKSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368194 1107401781 /nfs/dbraw/zinc/40/17/81/1107401781.db2.gz RFMXKKDTJAILCN-HBFSDRIKSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368194 1107401791 /nfs/dbraw/zinc/40/17/91/1107401791.db2.gz RFMXKKDTJAILCN-HBFSDRIKSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001498455025 1107560087 /nfs/dbraw/zinc/56/00/87/1107560087.db2.gz HRPFGEFTQQOXLZ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001498455025 1107560095 /nfs/dbraw/zinc/56/00/95/1107560095.db2.gz HRPFGEFTQQOXLZ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001498455025 1107560104 /nfs/dbraw/zinc/56/01/04/1107560104.db2.gz HRPFGEFTQQOXLZ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001498455025 1107560112 /nfs/dbraw/zinc/56/01/12/1107560112.db2.gz HRPFGEFTQQOXLZ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160631 1107614224 /nfs/dbraw/zinc/61/42/24/1107614224.db2.gz IUMZSSPSTWWCJM-PKOBYXMFSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499530960 1112346327 /nfs/dbraw/zinc/34/63/27/1112346327.db2.gz OPHPNOQFGAMBDA-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054321 1112595205 /nfs/dbraw/zinc/59/52/05/1112595205.db2.gz MLLQVKRMHYNOBV-UHFFFAOYSA-N 2 1 325.884 2.007 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054321 1112595206 /nfs/dbraw/zinc/59/52/06/1112595206.db2.gz MLLQVKRMHYNOBV-UHFFFAOYSA-N 2 1 325.884 2.007 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145585 1113214536 /nfs/dbraw/zinc/21/45/36/1113214536.db2.gz CHLUEIFWZFNVHC-LPHOPBHVSA-N 2 1 342.487 2.084 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406952 1113671512 /nfs/dbraw/zinc/67/15/12/1113671512.db2.gz WUEBFKXNFMHSLU-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539734 1124600637 /nfs/dbraw/zinc/60/06/37/1124600637.db2.gz FMRPRCKUAFOWDG-UXHICEINSA-N 2 1 341.499 2.254 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245686996 464507239 /nfs/dbraw/zinc/50/72/39/464507239.db2.gz WJCXAAFSKLQSBQ-RTBURBONSA-N 2 1 342.487 2.381 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594439349 468587731 /nfs/dbraw/zinc/58/77/31/468587731.db2.gz UTWPKHBFSWEBPM-DOTOQJQBSA-N 2 1 348.516 2.488 10 30 EEEEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812945 469078705 /nfs/dbraw/zinc/07/87/05/469078705.db2.gz QKVIYAOOAUBFIB-PXNSSMCTSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812945 469078709 /nfs/dbraw/zinc/07/87/09/469078709.db2.gz QKVIYAOOAUBFIB-PXNSSMCTSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602523678 469349039 /nfs/dbraw/zinc/34/90/39/469349039.db2.gz FYRLRYSZKJAFKD-AEFFLSMTSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602523678 469349040 /nfs/dbraw/zinc/34/90/40/469349040.db2.gz FYRLRYSZKJAFKD-AEFFLSMTSA-N 2 1 328.460 2.131 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001481357512 1181115553 /nfs/dbraw/zinc/11/55/53/1181115553.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357512 1181115560 /nfs/dbraw/zinc/11/55/60/1181115560.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CCCCCC2)CCC[N@H+]1C ZINC000262680438 687915965 /nfs/dbraw/zinc/91/59/65/687915965.db2.gz VWZWCVGJRCZWBP-MAUKXSAKSA-N 2 1 346.523 2.430 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485577925 1191846154 /nfs/dbraw/zinc/84/61/54/1191846154.db2.gz SIOWQPULMPWFDH-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485577925 1191846156 /nfs/dbraw/zinc/84/61/56/1191846156.db2.gz SIOWQPULMPWFDH-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](F)CC)CC1 ZINC001272734124 1192404904 /nfs/dbraw/zinc/40/49/04/1192404904.db2.gz LTQCTIWGCXIIAH-TVFCKZIOSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](F)CC)CC1 ZINC001272734124 1192404907 /nfs/dbraw/zinc/40/49/07/1192404907.db2.gz LTQCTIWGCXIIAH-TVFCKZIOSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001671503899 1176859436 /nfs/dbraw/zinc/85/94/36/1176859436.db2.gz GTEHTMWMCDDAOU-HPFMTEOYSA-N 2 1 331.504 2.221 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001670523518 1176864831 /nfs/dbraw/zinc/86/48/31/1176864831.db2.gz ZTSQXBNNFSBFBV-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001691365390 1177975273 /nfs/dbraw/zinc/97/52/73/1177975273.db2.gz YZWYCRWTKHTRKW-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001267026050 1178114465 /nfs/dbraw/zinc/11/44/65/1178114465.db2.gz CNKLEXVJXYNBCG-SFHVURJKSA-N 2 1 347.890 2.222 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001480914654 1178129908 /nfs/dbraw/zinc/12/99/08/1178129908.db2.gz WLAZEHFPZNVUHS-KRWDZBQOSA-N 2 1 335.879 2.080 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001480914654 1178129913 /nfs/dbraw/zinc/12/99/13/1178129913.db2.gz WLAZEHFPZNVUHS-KRWDZBQOSA-N 2 1 335.879 2.080 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267777884 1180513066 /nfs/dbraw/zinc/51/30/66/1180513066.db2.gz UVZFQQBQNLJBRM-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267777884 1180513070 /nfs/dbraw/zinc/51/30/70/1180513070.db2.gz UVZFQQBQNLJBRM-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267777884 1180513076 /nfs/dbraw/zinc/51/30/76/1180513076.db2.gz UVZFQQBQNLJBRM-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267777884 1180513081 /nfs/dbraw/zinc/51/30/81/1180513081.db2.gz UVZFQQBQNLJBRM-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267789817 1180538414 /nfs/dbraw/zinc/53/84/14/1180538414.db2.gz KZEDGXHZWVPQNK-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267789817 1180538417 /nfs/dbraw/zinc/53/84/17/1180538417.db2.gz KZEDGXHZWVPQNK-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267789817 1180538422 /nfs/dbraw/zinc/53/84/22/1180538422.db2.gz KZEDGXHZWVPQNK-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267789817 1180538425 /nfs/dbraw/zinc/53/84/25/1180538425.db2.gz KZEDGXHZWVPQNK-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481335186 1181059054 /nfs/dbraw/zinc/05/90/54/1181059054.db2.gz RVAVEKCZBJCHRL-IIAWOOMASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Br)CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357512 1181115537 /nfs/dbraw/zinc/11/55/37/1181115537.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481357512 1181115540 /nfs/dbraw/zinc/11/55/40/1181115540.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481357512 1181115546 /nfs/dbraw/zinc/11/55/46/1181115546.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481436750 1181337635 /nfs/dbraw/zinc/33/76/35/1181337635.db2.gz LVNNAPVTCKUMIS-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481436750 1181337642 /nfs/dbraw/zinc/33/76/42/1181337642.db2.gz LVNNAPVTCKUMIS-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481504864 1181585916 /nfs/dbraw/zinc/58/59/16/1181585916.db2.gz OYLOHYPEYMVQRG-UXHICEINSA-N 2 1 341.499 2.159 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292227 1182184373 /nfs/dbraw/zinc/18/43/73/1182184373.db2.gz WKXZBHFQGXYNFI-WOJBJXKFSA-N 2 1 341.499 2.254 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001268451883 1182647744 /nfs/dbraw/zinc/64/77/44/1182647744.db2.gz RCYOMPSDNCGFGC-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268631264 1183557468 /nfs/dbraw/zinc/55/74/68/1183557468.db2.gz ZPNPZILEIXVZMY-GHOSXJJBSA-N 2 1 340.471 2.195 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268631264 1183557470 /nfs/dbraw/zinc/55/74/70/1183557470.db2.gz ZPNPZILEIXVZMY-GHOSXJJBSA-N 2 1 340.471 2.195 10 30 EEEEMP C=CCOCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278847 1184130506 /nfs/dbraw/zinc/13/05/06/1184130506.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001269278847 1184130510 /nfs/dbraw/zinc/13/05/10/1184130510.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001269278847 1184130513 /nfs/dbraw/zinc/13/05/13/1184130513.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278847 1184130518 /nfs/dbraw/zinc/13/05/18/1184130518.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278847 1184130522 /nfs/dbraw/zinc/13/05/22/1184130522.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001691508403 1185363844 /nfs/dbraw/zinc/36/38/44/1185363844.db2.gz NCWIXRSISFVISF-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001671720432 1193493755 /nfs/dbraw/zinc/49/37/55/1193493755.db2.gz QTLRDAVGBYPVJV-MJGOQNOKSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001671720432 1193493756 /nfs/dbraw/zinc/49/37/56/1193493756.db2.gz QTLRDAVGBYPVJV-MJGOQNOKSA-N 2 1 339.524 2.116 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001670939794 1193530101 /nfs/dbraw/zinc/53/01/01/1193530101.db2.gz MANSFVSIQRGISP-QBUWPKIASA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019448 1188006947 /nfs/dbraw/zinc/00/69/47/1188006947.db2.gz JUOJTQHXOGBCNC-XSXCZSQGSA-N 2 1 337.467 2.034 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019448 1188006951 /nfs/dbraw/zinc/00/69/51/1188006951.db2.gz JUOJTQHXOGBCNC-XSXCZSQGSA-N 2 1 337.467 2.034 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001409580471 1190065780 /nfs/dbraw/zinc/06/57/80/1190065780.db2.gz QUZBSPLVWHSDFO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001409580471 1190065783 /nfs/dbraw/zinc/06/57/83/1190065783.db2.gz QUZBSPLVWHSDFO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001409580471 1190065785 /nfs/dbraw/zinc/06/57/85/1190065785.db2.gz QUZBSPLVWHSDFO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001409580471 1190065787 /nfs/dbraw/zinc/06/57/87/1190065787.db2.gz QUZBSPLVWHSDFO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483942433 1191125734 /nfs/dbraw/zinc/12/57/34/1191125734.db2.gz NAKNNNAQNOVCQV-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483943175 1191125940 /nfs/dbraw/zinc/12/59/40/1191125940.db2.gz UQGAJUIVLOZIEJ-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCCC)CC2)CC1 ZINC001486521361 1194043594 /nfs/dbraw/zinc/04/35/94/1194043594.db2.gz XTZGEPZFGBLFJN-UHFFFAOYSA-N 2 1 331.504 2.270 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001273201250 1197494903 /nfs/dbraw/zinc/49/49/03/1197494903.db2.gz KOJFPYKJDVZHNN-UHFFFAOYSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000876728787 1199743112 /nfs/dbraw/zinc/74/31/12/1199743112.db2.gz VMZLSHWGIJUQED-YPMHNXCESA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000876728787 1199743117 /nfs/dbraw/zinc/74/31/17/1199743117.db2.gz VMZLSHWGIJUQED-YPMHNXCESA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000877133516 1199867074 /nfs/dbraw/zinc/86/70/74/1199867074.db2.gz DQXLKRPUNUCFMA-XYPHTWIQSA-N 2 1 335.879 2.341 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182993 1205276141 /nfs/dbraw/zinc/27/61/41/1205276141.db2.gz AWILKACSMXAXIG-PMACEKPBSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C)c1 ZINC001276052956 1205753466 /nfs/dbraw/zinc/75/34/66/1205753466.db2.gz PZCCLIZENIGEBD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C)c1 ZINC001276052956 1205753465 /nfs/dbraw/zinc/75/34/65/1205753465.db2.gz PZCCLIZENIGEBD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691734534 1210176307 /nfs/dbraw/zinc/17/63/07/1210176307.db2.gz XXBSTYOZRIRGGT-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001489286936 1290491684 /nfs/dbraw/zinc/49/16/84/1290491684.db2.gz PBSSIDXKHIDRFH-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001489286936 1290491687 /nfs/dbraw/zinc/49/16/87/1290491687.db2.gz PBSSIDXKHIDRFH-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001490281184 1291109405 /nfs/dbraw/zinc/10/94/05/1291109405.db2.gz HBNFBDGVGIEGKC-GJZGRUSLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870819 1292222852 /nfs/dbraw/zinc/22/28/52/1292222852.db2.gz GSMKQRHEQFGMII-PXNSSMCTSA-N 2 1 339.483 2.016 10 30 EEEEMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCCC#N)C2)ccn1 ZINC000856604806 1293580333 /nfs/dbraw/zinc/58/03/33/1293580333.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 2 1 346.475 2.305 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOCCC#N)C2)ccn1 ZINC000856604806 1293580340 /nfs/dbraw/zinc/58/03/40/1293580340.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 2 1 346.475 2.305 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOCCC#N)C2)ccn1 ZINC000856604806 1293580345 /nfs/dbraw/zinc/58/03/45/1293580345.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 2 1 346.475 2.305 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001278336027 1309553001 /nfs/dbraw/zinc/55/30/01/1309553001.db2.gz OBPLCLLYGJOQMO-PKOBYXMFSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451922 1310326232 /nfs/dbraw/zinc/32/62/32/1310326232.db2.gz YYILEXIGMXFTTE-FXAWDEMLSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265173045 1322965558 /nfs/dbraw/zinc/96/55/58/1322965558.db2.gz SDKAIHNYKAGZEC-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265173045 1322965560 /nfs/dbraw/zinc/96/55/60/1322965560.db2.gz SDKAIHNYKAGZEC-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265429053 1323149884 /nfs/dbraw/zinc/14/98/84/1323149884.db2.gz KZXGRYOSDMINEY-PMACEKPBSA-N 2 1 339.483 2.101 10 30 EEEEMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824040 1323402826 /nfs/dbraw/zinc/40/28/26/1323402826.db2.gz OTLWTQKKRTXPFU-JKSUJKDBSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265827552 1323406432 /nfs/dbraw/zinc/40/64/32/1323406432.db2.gz RCQDDULJJABQBH-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001265850725 1323424778 /nfs/dbraw/zinc/42/47/78/1323424778.db2.gz BCUTYBPMJCTRFP-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001265850725 1323424782 /nfs/dbraw/zinc/42/47/82/1323424782.db2.gz BCUTYBPMJCTRFP-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001265850725 1323424795 /nfs/dbraw/zinc/42/47/95/1323424795.db2.gz BCUTYBPMJCTRFP-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001279236407 1323855150 /nfs/dbraw/zinc/85/51/50/1323855150.db2.gz FJMDUBYYHWYSDH-REPLKXPHSA-N 2 1 331.504 2.101 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC001279716363 1323985170 /nfs/dbraw/zinc/98/51/70/1323985170.db2.gz SEHWBSAVLXDQSC-RDJZCZTQSA-N 2 1 345.462 2.285 10 30 EEEEMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281073086 1324753735 /nfs/dbraw/zinc/75/37/35/1324753735.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281073086 1324753740 /nfs/dbraw/zinc/75/37/40/1324753740.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281073086 1324753743 /nfs/dbraw/zinc/75/37/43/1324753743.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 2 1 341.499 2.447 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001281964214 1325538822 /nfs/dbraw/zinc/53/88/22/1325538822.db2.gz DAJNPYKUPPLUJF-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC#Cc1ccccc1 ZINC001281964214 1325538826 /nfs/dbraw/zinc/53/88/26/1325538826.db2.gz DAJNPYKUPPLUJF-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#Cc1ccccc1 ZINC001281964214 1325538830 /nfs/dbraw/zinc/53/88/30/1325538830.db2.gz DAJNPYKUPPLUJF-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282653096 1325757483 /nfs/dbraw/zinc/75/74/83/1325757483.db2.gz GATCXEOBBWMCRX-KRWDZBQOSA-N 2 1 339.443 2.169 10 30 EEEEMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083642 1330991324 /nfs/dbraw/zinc/99/13/24/1330991324.db2.gz MGEZPASFHDTEKR-HUUCEWRRSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317041342 1332056164 /nfs/dbraw/zinc/05/61/64/1332056164.db2.gz VAFQOGKSQPZCBE-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041342 1332056167 /nfs/dbraw/zinc/05/61/67/1332056167.db2.gz VAFQOGKSQPZCBE-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041342 1332056169 /nfs/dbraw/zinc/05/61/69/1332056169.db2.gz VAFQOGKSQPZCBE-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317354018 1332191470 /nfs/dbraw/zinc/19/14/70/1332191470.db2.gz BBHZVBXGTOCORK-HUUCEWRRSA-N 2 1 334.464 2.333 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437734 1332240840 /nfs/dbraw/zinc/24/08/40/1332240840.db2.gz XAMYAUCBNMCFBX-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437734 1332240843 /nfs/dbraw/zinc/24/08/43/1332240843.db2.gz XAMYAUCBNMCFBX-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317790684 1332410277 /nfs/dbraw/zinc/41/02/77/1332410277.db2.gz WPIUQSXCFYTVIA-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317790684 1332410280 /nfs/dbraw/zinc/41/02/80/1332410280.db2.gz WPIUQSXCFYTVIA-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001317790684 1332410282 /nfs/dbraw/zinc/41/02/82/1332410282.db2.gz WPIUQSXCFYTVIA-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001317790684 1332410285 /nfs/dbraw/zinc/41/02/85/1332410285.db2.gz WPIUQSXCFYTVIA-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285715 1332675405 /nfs/dbraw/zinc/67/54/05/1332675405.db2.gz PHXZTEUTMJGZHL-ICSRJNTNSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324432005 1333681303 /nfs/dbraw/zinc/68/13/03/1333681303.db2.gz MZMIZMNRKBXABX-SFHVURJKSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001326489557 1334102928 /nfs/dbraw/zinc/10/29/28/1334102928.db2.gz AFNFECMVRZMOLA-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)CC3CC[NH+](C)CC3)cccc2C1 ZINC001326673540 1334140184 /nfs/dbraw/zinc/14/01/84/1334140184.db2.gz CNMICUKQABKLBJ-UHFFFAOYSA-N 2 1 339.483 2.026 10 30 EEEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001328916192 1334547585 /nfs/dbraw/zinc/54/75/85/1334547585.db2.gz WCAVXGCSDMTWNF-JMLCCBQJSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746535 1342622641 /nfs/dbraw/zinc/62/26/41/1342622641.db2.gz KJOZMACBZZJIKV-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746535 1342622643 /nfs/dbraw/zinc/62/26/43/1342622643.db2.gz KJOZMACBZZJIKV-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198448 1342709783 /nfs/dbraw/zinc/70/97/83/1342709783.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567198448 1342709786 /nfs/dbraw/zinc/70/97/86/1342709786.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567198448 1342709791 /nfs/dbraw/zinc/70/97/91/1342709791.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001567202571 1342711580 /nfs/dbraw/zinc/71/15/80/1342711580.db2.gz IFYQIMYGRSPZBM-ZWKOTPCHSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001567698907 1342815443 /nfs/dbraw/zinc/81/54/43/1342815443.db2.gz ANKVDBJIBOCFSI-IAGOWNOFSA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001567698907 1342815446 /nfs/dbraw/zinc/81/54/46/1342815446.db2.gz ANKVDBJIBOCFSI-IAGOWNOFSA-N 2 1 330.476 2.248 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001570275610 1343049356 /nfs/dbraw/zinc/04/93/56/1343049356.db2.gz YXJCIFFUNPRTED-QUCCMNQESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001571645332 1343260290 /nfs/dbraw/zinc/26/02/90/1343260290.db2.gz BCVJVYJPLQMVBL-GOSISDBHSA-N 2 1 341.499 2.011 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238602 1357298947 /nfs/dbraw/zinc/29/89/47/1357298947.db2.gz WRSJWEFEEIYWAX-OALUTQOASA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c(F)c1 ZINC001677642480 1357381020 /nfs/dbraw/zinc/38/10/20/1357381020.db2.gz CBNXMRHBEUTFQK-MJGOQNOKSA-N 2 1 343.446 2.182 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC)cc1F ZINC001677642867 1357381714 /nfs/dbraw/zinc/38/17/14/1357381714.db2.gz HIJQHYSLFDIDJS-SFHVURJKSA-N 2 1 331.435 2.039 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC)cc1F ZINC001677642867 1357381717 /nfs/dbraw/zinc/38/17/17/1357381717.db2.gz HIJQHYSLFDIDJS-SFHVURJKSA-N 2 1 331.435 2.039 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001657044329 1354312234 /nfs/dbraw/zinc/31/22/34/1354312234.db2.gz SJEPUKCTYOGMDK-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001657044329 1354312235 /nfs/dbraw/zinc/31/22/35/1354312235.db2.gz SJEPUKCTYOGMDK-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001657044329 1354312236 /nfs/dbraw/zinc/31/22/36/1354312236.db2.gz SJEPUKCTYOGMDK-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001657044329 1354312238 /nfs/dbraw/zinc/31/22/38/1354312238.db2.gz SJEPUKCTYOGMDK-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC=C(Cl)Cl)CC1 ZINC001660408623 1354459357 /nfs/dbraw/zinc/45/93/57/1354459357.db2.gz LHUTWXFGXRYPTD-UHFFFAOYSA-N 2 1 346.302 2.089 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC=C(Cl)Cl)CC1 ZINC001660408623 1354459360 /nfs/dbraw/zinc/45/93/60/1354459360.db2.gz LHUTWXFGXRYPTD-UHFFFAOYSA-N 2 1 346.302 2.089 10 30 EEEEMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001662856499 1354866625 /nfs/dbraw/zinc/86/66/25/1354866625.db2.gz PKTOIWABLXEVDQ-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1CC(C)(C)C1 ZINC001663663438 1355013878 /nfs/dbraw/zinc/01/38/78/1355013878.db2.gz CRBYKCNQRGOWEI-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC1CC(C)(C)C1 ZINC001663663438 1355013893 /nfs/dbraw/zinc/01/38/93/1355013893.db2.gz CRBYKCNQRGOWEI-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC(C)(C)C1 ZINC001663663438 1355013898 /nfs/dbraw/zinc/01/38/98/1355013898.db2.gz CRBYKCNQRGOWEI-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC(C)(C)C1 ZINC001663663438 1355013904 /nfs/dbraw/zinc/01/39/04/1355013904.db2.gz CRBYKCNQRGOWEI-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001664894369 1355254448 /nfs/dbraw/zinc/25/44/48/1355254448.db2.gz TZMXVQJYFKERLW-UHFFFAOYSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001665686335 1355360373 /nfs/dbraw/zinc/36/03/73/1355360373.db2.gz HZWIYKAUZPWBTF-MJGOQNOKSA-N 2 1 331.504 2.219 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673848 1355564033 /nfs/dbraw/zinc/56/40/33/1355564033.db2.gz XKBRMGCYABKFOJ-MRXNPFEDSA-N 2 1 349.906 2.374 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C/CC)CCCC1 ZINC001666767492 1355588264 /nfs/dbraw/zinc/58/82/64/1355588264.db2.gz IBCIFWQBZSJYPU-QWNKOJSDSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C/CC)CCCC1 ZINC001666767492 1355588267 /nfs/dbraw/zinc/58/82/67/1355588267.db2.gz IBCIFWQBZSJYPU-QWNKOJSDSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001666837411 1355600208 /nfs/dbraw/zinc/60/02/08/1355600208.db2.gz DEXTUQCOTQUUEU-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001666837411 1355600211 /nfs/dbraw/zinc/60/02/11/1355600211.db2.gz DEXTUQCOTQUUEU-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001669584034 1356178986 /nfs/dbraw/zinc/17/89/86/1356178986.db2.gz HFIGIHLUVVPUPH-HOCLYGCPSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001669584034 1356178990 /nfs/dbraw/zinc/17/89/90/1356178990.db2.gz HFIGIHLUVVPUPH-HOCLYGCPSA-N 2 1 341.446 2.004 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001672177147 1356474123 /nfs/dbraw/zinc/47/41/23/1356474123.db2.gz SBOLFHMLLQGZLR-RBUKOAKNSA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001684792690 1358280583 /nfs/dbraw/zinc/28/05/83/1358280583.db2.gz PLRBJIXFHBDUTI-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001684792690 1358280585 /nfs/dbraw/zinc/28/05/85/1358280585.db2.gz PLRBJIXFHBDUTI-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792690 1358280589 /nfs/dbraw/zinc/28/05/89/1358280589.db2.gz PLRBJIXFHBDUTI-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792690 1358280595 /nfs/dbraw/zinc/28/05/95/1358280595.db2.gz PLRBJIXFHBDUTI-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001699827149 1405512740 /nfs/dbraw/zinc/51/27/40/1405512740.db2.gz VEZRBCZXNZFPFM-FQEVSTJZSA-N 2 1 345.487 2.145 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCC)C2)CC1 ZINC001699878875 1405545818 /nfs/dbraw/zinc/54/58/18/1405545818.db2.gz DEPVWWGTAABFDH-FQEVSTJZSA-N 2 1 333.520 2.350 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699943372 1405593110 /nfs/dbraw/zinc/59/31/10/1405593110.db2.gz HNCUFOQBIOMGNY-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001436464682 1087921584 /nfs/dbraw/zinc/92/15/84/1087921584.db2.gz ZLTZAAKVXUQINH-PMPSAXMXSA-N 2 1 345.890 2.199 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001436464682 1087921600 /nfs/dbraw/zinc/92/16/00/1087921600.db2.gz ZLTZAAKVXUQINH-PMPSAXMXSA-N 2 1 345.890 2.199 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001437310231 1089468480 /nfs/dbraw/zinc/46/84/80/1089468480.db2.gz JKPGPROMNOQAHN-RHSMWYFYSA-N 2 1 345.890 2.390 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437382089 1089631563 /nfs/dbraw/zinc/63/15/63/1089631563.db2.gz JWEBYCHCCAWXCO-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543521 1089999079 /nfs/dbraw/zinc/99/90/79/1089999079.db2.gz XYNUTWREADKEAF-CABCVRRESA-N 2 1 348.516 2.288 10 30 EEEEMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543521 1089999086 /nfs/dbraw/zinc/99/90/86/1089999086.db2.gz XYNUTWREADKEAF-CABCVRRESA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439256091 1091905609 /nfs/dbraw/zinc/90/56/09/1091905609.db2.gz GARZDSUJCMORJS-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001446185533 1092259147 /nfs/dbraw/zinc/25/91/47/1092259147.db2.gz WLMJFCZBZAWHFR-SFHVURJKSA-N 2 1 340.471 2.171 10 30 EEEEMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001443882182 1098408870 /nfs/dbraw/zinc/40/88/70/1098408870.db2.gz SNJVRPACCQKJRU-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001443882182 1098408871 /nfs/dbraw/zinc/40/88/71/1098408871.db2.gz SNJVRPACCQKJRU-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001443882182 1098408872 /nfs/dbraw/zinc/40/88/72/1098408872.db2.gz SNJVRPACCQKJRU-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001496778691 1101449333 /nfs/dbraw/zinc/44/93/33/1101449333.db2.gz YXOUWTCOCXSFKN-UHFFFAOYSA-N 2 1 335.879 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001496778691 1101449338 /nfs/dbraw/zinc/44/93/38/1101449338.db2.gz YXOUWTCOCXSFKN-UHFFFAOYSA-N 2 1 335.879 2.033 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903331 1103559763 /nfs/dbraw/zinc/55/97/63/1103559763.db2.gz DMGMOISAAFEWPN-UONOGXRCSA-N 2 1 334.439 2.022 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480666502 1106846874 /nfs/dbraw/zinc/84/68/74/1106846874.db2.gz VZFVZDYPLSOVPU-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498119772 1106947673 /nfs/dbraw/zinc/94/76/73/1106947673.db2.gz UGGVAQQPSZRUND-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001493332480 1107943722 /nfs/dbraw/zinc/94/37/22/1107943722.db2.gz XLSZUFMRHUIRCP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001493332480 1107943734 /nfs/dbraw/zinc/94/37/34/1107943734.db2.gz XLSZUFMRHUIRCP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001493332480 1107943739 /nfs/dbraw/zinc/94/37/39/1107943739.db2.gz XLSZUFMRHUIRCP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001499929713 1112545092 /nfs/dbraw/zinc/54/50/92/1112545092.db2.gz KPTMHHJWPMCNDY-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001501400197 1113344050 /nfs/dbraw/zinc/34/40/50/1113344050.db2.gz QOTRVSCTTFKGBE-IAGOWNOFSA-N 2 1 346.500 2.137 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001501617892 1113401502 /nfs/dbraw/zinc/40/15/02/1113401502.db2.gz GJELXLAVMJKWKH-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141036 1113614004 /nfs/dbraw/zinc/61/40/04/1113614004.db2.gz SRKXYDSAPABQAA-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141036 1113614005 /nfs/dbraw/zinc/61/40/05/1113614005.db2.gz SRKXYDSAPABQAA-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001505447103 1113981789 /nfs/dbraw/zinc/98/17/89/1113981789.db2.gz ZHTQUOOISPYHOE-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001505447103 1113981791 /nfs/dbraw/zinc/98/17/91/1113981791.db2.gz ZHTQUOOISPYHOE-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001505447103 1113981794 /nfs/dbraw/zinc/98/17/94/1113981794.db2.gz ZHTQUOOISPYHOE-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506005615 1114337330 /nfs/dbraw/zinc/33/73/30/1114337330.db2.gz DXRBVJMBMXYZOE-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005615 1114337335 /nfs/dbraw/zinc/33/73/35/1114337335.db2.gz DXRBVJMBMXYZOE-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005615 1114337340 /nfs/dbraw/zinc/33/73/40/1114337340.db2.gz DXRBVJMBMXYZOE-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001506934698 1114985316 /nfs/dbraw/zinc/98/53/16/1114985316.db2.gz XTPPMQFNRYPUKO-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427835 1115263205 /nfs/dbraw/zinc/26/32/05/1115263205.db2.gz LSTYDAMPYNFUIS-CABCVRRESA-N 2 1 348.516 2.334 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC=C)C2)CC1 ZINC001567884424 1124156835 /nfs/dbraw/zinc/15/68/35/1124156835.db2.gz JTKSVNWTBJQWOC-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(=C)Cl)C1 ZINC001568060373 1124265335 /nfs/dbraw/zinc/26/53/35/1124265335.db2.gz LGFCNFWFYOILOK-IRXDYDNUSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(=C)Cl)C1 ZINC001568060373 1124265339 /nfs/dbraw/zinc/26/53/39/1124265339.db2.gz LGFCNFWFYOILOK-IRXDYDNUSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001569062052 1125073545 /nfs/dbraw/zinc/07/35/45/1125073545.db2.gz PPDVIGIDVFLBBL-IPELMVKDSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001569062052 1125073550 /nfs/dbraw/zinc/07/35/50/1125073550.db2.gz PPDVIGIDVFLBBL-IPELMVKDSA-N 2 1 345.462 2.469 10 30 EEEEMP CO[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555595 286057788 /nfs/dbraw/zinc/05/77/88/286057788.db2.gz JBOZOJUIAFIYHZ-ROUUACIJSA-N 2 1 336.520 2.484 10 30 EEEEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000193649685 160184901 /nfs/dbraw/zinc/18/49/01/160184901.db2.gz OVSZVAVZOZBBIQ-OKILXGFUSA-N 2 1 332.835 2.034 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351595910 465242079 /nfs/dbraw/zinc/24/20/79/465242079.db2.gz ZBTBJLLBTXGOTD-UHFFFAOYSA-N 2 1 328.460 2.003 10 30 EEEEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812944 469078304 /nfs/dbraw/zinc/07/83/04/469078304.db2.gz QKVIYAOOAUBFIB-FXAWDEMLSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812944 469078308 /nfs/dbraw/zinc/07/83/08/469078308.db2.gz QKVIYAOOAUBFIB-FXAWDEMLSA-N 2 1 326.488 2.475 10 30 EEEEMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595944693 469094075 /nfs/dbraw/zinc/09/40/75/469094075.db2.gz IVWLWQQQJNXXNM-OALUTQOASA-N 2 1 342.487 2.173 10 30 EEEEMP C[NH+]=C(NC[C@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262790084 688473617 /nfs/dbraw/zinc/47/36/17/688473617.db2.gz NSNMORATZZXXDT-FBVQUNGASA-N 2 1 336.524 2.108 10 30 EEEEMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261978914 691216925 /nfs/dbraw/zinc/21/69/25/691216925.db2.gz OKKZONBBSKKTLM-GDBMZVCRSA-N 2 1 326.554 2.413 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267190176 1178461460 /nfs/dbraw/zinc/46/14/60/1178461460.db2.gz DMMJGUYQEXTACL-PKOBYXMFSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001481335134 1181060474 /nfs/dbraw/zinc/06/04/74/1181060474.db2.gz OUILIFHCCQJCCQ-LPHOPBHVSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001481335134 1181060479 /nfs/dbraw/zinc/06/04/79/1181060479.db2.gz OUILIFHCCQJCCQ-LPHOPBHVSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481452310 1181389151 /nfs/dbraw/zinc/38/91/51/1181389151.db2.gz LVADRTGJNNWIEQ-SFHVURJKSA-N 2 1 327.472 2.213 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001481510350 1181599911 /nfs/dbraw/zinc/59/99/11/1181599911.db2.gz UUWIXTUEUVQMPS-ZWKOTPCHSA-N 2 1 333.520 2.158 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001481516801 1181624680 /nfs/dbraw/zinc/62/46/80/1181624680.db2.gz MWHHJXQVXFCUBI-UHFFFAOYSA-N 2 1 341.499 2.208 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630919 1183556389 /nfs/dbraw/zinc/55/63/89/1183556389.db2.gz SMLLBVJYBWPUPS-VZSQWMKGSA-N 2 1 340.471 2.195 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268725790 1183644841 /nfs/dbraw/zinc/64/48/41/1183644841.db2.gz OSXCIBZMJQMKFU-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268725790 1183644843 /nfs/dbraw/zinc/64/48/43/1183644843.db2.gz OSXCIBZMJQMKFU-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268725790 1183644847 /nfs/dbraw/zinc/64/48/47/1183644847.db2.gz OSXCIBZMJQMKFU-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268725790 1183644849 /nfs/dbraw/zinc/64/48/49/1183644849.db2.gz OSXCIBZMJQMKFU-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001482296326 1185165365 /nfs/dbraw/zinc/16/53/65/1185165365.db2.gz IRDIHFCRWKDMCU-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001482296326 1185165370 /nfs/dbraw/zinc/16/53/70/1185165370.db2.gz IRDIHFCRWKDMCU-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001482537417 1186588971 /nfs/dbraw/zinc/58/89/71/1186588971.db2.gz CHLQGHOKDPOXIA-KBPBESRZSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)Cc2csc(C)c2)CC1 ZINC001482649767 1187480946 /nfs/dbraw/zinc/48/09/46/1187480946.db2.gz JUVVORBVEIZNQC-UHFFFAOYSA-N 2 1 347.528 2.292 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482888364 1187814499 /nfs/dbraw/zinc/81/44/99/1187814499.db2.gz JKZFCZCQAGNQDT-GOEBONIOSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001485883119 1193628795 /nfs/dbraw/zinc/62/87/95/1193628795.db2.gz ONAZYPWEWWKZGE-UONOGXRCSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001485883120 1193628935 /nfs/dbraw/zinc/62/89/35/1193628935.db2.gz ONAZYPWEWWKZGE-ZIAGYGMSSA-N 2 1 346.313 2.206 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001486143654 1193695584 /nfs/dbraw/zinc/69/55/84/1193695584.db2.gz CALNCQFTVRKMOV-FPOVZHCZSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001272456498 1190831780 /nfs/dbraw/zinc/83/17/80/1190831780.db2.gz GILTZBBOOPFYFL-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001483972859 1191137260 /nfs/dbraw/zinc/13/72/60/1191137260.db2.gz ZSQJABRWDZXNSJ-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001484116225 1191218254 /nfs/dbraw/zinc/21/82/54/1191218254.db2.gz XTXABSFEOOQYCF-IBGZPJMESA-N 2 1 346.475 2.288 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)CO2 ZINC001484799753 1191523737 /nfs/dbraw/zinc/52/37/37/1191523737.db2.gz NVOJXUWDJAGJOG-MRXNPFEDSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)CO2 ZINC001484799753 1191523740 /nfs/dbraw/zinc/52/37/40/1191523740.db2.gz NVOJXUWDJAGJOG-MRXNPFEDSA-N 2 1 349.519 2.175 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001486187949 1193729753 /nfs/dbraw/zinc/72/97/53/1193729753.db2.gz CCPYBDOZPGOBJP-WOJBJXKFSA-N 2 1 341.499 2.201 10 30 EEEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001486476847 1193990037 /nfs/dbraw/zinc/99/00/37/1193990037.db2.gz QCZHNSCHBVVVAK-KLAILNCOSA-N 2 1 330.476 2.299 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108611 1198800397 /nfs/dbraw/zinc/80/03/97/1198800397.db2.gz UOZQNILZJQKXTM-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108611 1198800401 /nfs/dbraw/zinc/80/04/01/1198800401.db2.gz UOZQNILZJQKXTM-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303986691 1213936245 /nfs/dbraw/zinc/93/62/45/1213936245.db2.gz UQGRGCFKBNIGIC-CYBMUJFWSA-N 2 1 340.855 2.186 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886494 1217423282 /nfs/dbraw/zinc/42/32/82/1217423282.db2.gz YJCZEIQCGSPFGN-GFCCVEGCSA-N 2 1 328.382 2.035 10 30 EEEEMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000796575201 1221409017 /nfs/dbraw/zinc/40/90/17/1221409017.db2.gz KFDJRKVOLJVLQP-UHFFFAOYSA-N 2 1 338.411 2.315 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001491172769 1258743321 /nfs/dbraw/zinc/74/33/21/1258743321.db2.gz JVMMDTUEINXOEK-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486902 1259136538 /nfs/dbraw/zinc/13/65/38/1259136538.db2.gz QYQRFERBBGELJG-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146152 1290569510 /nfs/dbraw/zinc/56/95/10/1290569510.db2.gz CZEQYPMXSHWVLG-IRXDYDNUSA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001490390032 1291279885 /nfs/dbraw/zinc/27/98/85/1291279885.db2.gz RVKJPMVMRJMYRJ-UHFFFAOYSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001490390032 1291279887 /nfs/dbraw/zinc/27/98/87/1291279887.db2.gz RVKJPMVMRJMYRJ-UHFFFAOYSA-N 2 1 327.900 2.442 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(Br)cnc1C#N ZINC000853798093 1292457535 /nfs/dbraw/zinc/45/75/35/1292457535.db2.gz AJWNKHCOTYLGOP-UHFFFAOYSA-N 2 1 340.269 2.011 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(Br)cnc1C#N ZINC000853798093 1292457541 /nfs/dbraw/zinc/45/75/41/1292457541.db2.gz AJWNKHCOTYLGOP-UHFFFAOYSA-N 2 1 340.269 2.011 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001278200709 1306285859 /nfs/dbraw/zinc/28/58/59/1306285859.db2.gz RPLBYVGBEXCSBZ-MRXNPFEDSA-N 2 1 325.472 2.001 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001156672427 1318152949 /nfs/dbraw/zinc/15/29/49/1318152949.db2.gz NWQQNKZOIWAHDP-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001265119431 1322929680 /nfs/dbraw/zinc/92/96/80/1322929680.db2.gz GAUDHTYUBKBOHY-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC001265119431 1322929684 /nfs/dbraw/zinc/92/96/84/1322929684.db2.gz GAUDHTYUBKBOHY-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC001265119431 1322929686 /nfs/dbraw/zinc/92/96/86/1322929686.db2.gz GAUDHTYUBKBOHY-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001266231453 1323811287 /nfs/dbraw/zinc/81/12/87/1323811287.db2.gz IVSTYAUMDOYNIR-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266232206 1323812728 /nfs/dbraw/zinc/81/27/28/1323812728.db2.gz UNTUJZIFWTZACY-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001266232206 1323812732 /nfs/dbraw/zinc/81/27/32/1323812732.db2.gz UNTUJZIFWTZACY-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001266232206 1323812734 /nfs/dbraw/zinc/81/27/34/1323812734.db2.gz UNTUJZIFWTZACY-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001283351211 1326024782 /nfs/dbraw/zinc/02/47/82/1326024782.db2.gz OAUSMICBHXIPCV-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001492021789 1330410530 /nfs/dbraw/zinc/41/05/30/1330410530.db2.gz KGLAQWPTUZNYCR-APWZRJJASA-N 2 1 342.487 2.415 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167606 1331033759 /nfs/dbraw/zinc/03/37/59/1331033759.db2.gz WMNQOILAKZUCSI-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167606 1331033765 /nfs/dbraw/zinc/03/37/65/1331033765.db2.gz WMNQOILAKZUCSI-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492177437 1331056177 /nfs/dbraw/zinc/05/61/77/1331056177.db2.gz GRCZKJTXDMTOOH-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)CC#Cc1ccc(F)cc1)C1CCC1 ZINC001316829055 1331919326 /nfs/dbraw/zinc/91/93/26/1331919326.db2.gz ZDWCPGSOJPIZBG-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001316829055 1331919331 /nfs/dbraw/zinc/91/93/31/1331919331.db2.gz ZDWCPGSOJPIZBG-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001316829055 1331919334 /nfs/dbraw/zinc/91/93/34/1331919334.db2.gz ZDWCPGSOJPIZBG-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873966 1331943521 /nfs/dbraw/zinc/94/35/21/1331943521.db2.gz IUZUVZFCLLPBLL-RHSMWYFYSA-N 2 1 334.464 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001316918968 1331985402 /nfs/dbraw/zinc/98/54/02/1331985402.db2.gz HXRAZTMJVCOQAZ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001316918968 1331985405 /nfs/dbraw/zinc/98/54/05/1331985405.db2.gz HXRAZTMJVCOQAZ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001316918968 1331985407 /nfs/dbraw/zinc/98/54/07/1331985407.db2.gz HXRAZTMJVCOQAZ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001316918968 1331985410 /nfs/dbraw/zinc/98/54/10/1331985410.db2.gz HXRAZTMJVCOQAZ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317108599 1332083170 /nfs/dbraw/zinc/08/31/70/1332083170.db2.gz CBZLLUGBAUCOAK-HSALFYBXSA-N 2 1 339.483 2.148 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317857250 1332433198 /nfs/dbraw/zinc/43/31/98/1332433198.db2.gz PGVZYQXFODFSBK-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857250 1332433200 /nfs/dbraw/zinc/43/32/00/1332433200.db2.gz PGVZYQXFODFSBK-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857250 1332433202 /nfs/dbraw/zinc/43/32/02/1332433202.db2.gz PGVZYQXFODFSBK-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317943841 1332448593 /nfs/dbraw/zinc/44/85/93/1332448593.db2.gz XVBZUIBWVOMKRQ-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317943841 1332448597 /nfs/dbraw/zinc/44/85/97/1332448597.db2.gz XVBZUIBWVOMKRQ-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001318804636 1332600918 /nfs/dbraw/zinc/60/09/18/1332600918.db2.gz KUWGAKRLECGXBK-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\CCC ZINC001319080666 1332646793 /nfs/dbraw/zinc/64/67/93/1332646793.db2.gz GHZXMENOKXYJJQ-MGBKSAOESA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\CCC ZINC001319080666 1332646795 /nfs/dbraw/zinc/64/67/95/1332646795.db2.gz GHZXMENOKXYJJQ-MGBKSAOESA-N 2 1 331.504 2.411 10 30 EEEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048377 1332816083 /nfs/dbraw/zinc/81/60/83/1332816083.db2.gz QMIQIOKPAHROIM-WBVHZDCISA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048377 1332816087 /nfs/dbraw/zinc/81/60/87/1332816087.db2.gz QMIQIOKPAHROIM-WBVHZDCISA-N 2 1 332.492 2.499 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321321914 1333073857 /nfs/dbraw/zinc/07/38/57/1333073857.db2.gz JJXXGBSGHMXWPL-PLNGDYQASA-N 2 1 347.890 2.295 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001324481697 1333691836 /nfs/dbraw/zinc/69/18/36/1333691836.db2.gz HPZFJIANJYKLIE-XRMLWCHGSA-N 2 1 337.895 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001324481697 1333691840 /nfs/dbraw/zinc/69/18/40/1333691840.db2.gz HPZFJIANJYKLIE-XRMLWCHGSA-N 2 1 337.895 2.101 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001324835016 1333769950 /nfs/dbraw/zinc/76/99/50/1333769950.db2.gz VNEKELCHDCYHOW-ICSRJNTNSA-N 2 1 327.472 2.141 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001325056381 1333820391 /nfs/dbraw/zinc/82/03/91/1333820391.db2.gz ZANYNGZVMAWAND-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325056381 1333820392 /nfs/dbraw/zinc/82/03/92/1333820392.db2.gz ZANYNGZVMAWAND-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325056381 1333820396 /nfs/dbraw/zinc/82/03/96/1333820396.db2.gz ZANYNGZVMAWAND-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001325541676 1333907192 /nfs/dbraw/zinc/90/71/92/1333907192.db2.gz DGBVWCLOOVNXMW-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001326489558 1334103276 /nfs/dbraw/zinc/10/32/76/1334103276.db2.gz AFNFECMVRZMOLA-HXUWFJFHSA-N 2 1 341.499 2.488 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001669909708 1356236910 /nfs/dbraw/zinc/23/69/10/1356236910.db2.gz HWFHVBYJAUMURS-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001669909708 1356236914 /nfs/dbraw/zinc/23/69/14/1356236914.db2.gz HWFHVBYJAUMURS-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001566918821 1342653440 /nfs/dbraw/zinc/65/34/40/1342653440.db2.gz YXTUBEFDTRBRDP-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001566918821 1342653445 /nfs/dbraw/zinc/65/34/45/1342653445.db2.gz YXTUBEFDTRBRDP-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001566918821 1342653447 /nfs/dbraw/zinc/65/34/47/1342653447.db2.gz YXTUBEFDTRBRDP-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001566918821 1342653449 /nfs/dbraw/zinc/65/34/49/1342653449.db2.gz YXTUBEFDTRBRDP-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220924 1343035818 /nfs/dbraw/zinc/03/58/18/1343035818.db2.gz YGUSOVXVMRKPTE-RBUKOAKNSA-N 2 1 345.531 2.302 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001570271852 1343045920 /nfs/dbraw/zinc/04/59/20/1343045920.db2.gz PNOXKWFGZWORCG-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001570271852 1343045924 /nfs/dbraw/zinc/04/59/24/1343045924.db2.gz PNOXKWFGZWORCG-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001570271852 1343045926 /nfs/dbraw/zinc/04/59/26/1343045926.db2.gz PNOXKWFGZWORCG-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001676847350 1357219958 /nfs/dbraw/zinc/21/99/58/1357219958.db2.gz WYLFCDBFVBYVEI-KZNAEPCWSA-N 2 1 342.487 2.247 10 30 EEEEMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001660371728 1354450726 /nfs/dbraw/zinc/45/07/26/1354450726.db2.gz FDFZIDVDMJLADI-SFHVURJKSA-N 2 1 330.476 2.083 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142964 1354597318 /nfs/dbraw/zinc/59/73/18/1354597318.db2.gz PNWWEDMDFXNAIT-WOJBJXKFSA-N 2 1 339.483 2.007 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001661213496 1354608247 /nfs/dbraw/zinc/60/82/47/1354608247.db2.gz SNTCWTYDGXJMRY-PKOBYXMFSA-N 2 1 333.520 2.465 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001661890223 1354719225 /nfs/dbraw/zinc/71/92/25/1354719225.db2.gz DCQJMKKYEYWNLE-VQTJNVASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001661890223 1354719231 /nfs/dbraw/zinc/71/92/31/1354719231.db2.gz DCQJMKKYEYWNLE-VQTJNVASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001663537321 1354983147 /nfs/dbraw/zinc/98/31/47/1354983147.db2.gz MEVONVHWUTZGQY-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001663537321 1354983150 /nfs/dbraw/zinc/98/31/50/1354983150.db2.gz MEVONVHWUTZGQY-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001663537321 1354983152 /nfs/dbraw/zinc/98/31/52/1354983152.db2.gz MEVONVHWUTZGQY-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC/C=C/CCC)C1 ZINC001665642626 1355345213 /nfs/dbraw/zinc/34/52/13/1355345213.db2.gz XLKWDKBEXRNCKY-PXEQJPNCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001665642626 1355345218 /nfs/dbraw/zinc/34/52/18/1355345218.db2.gz XLKWDKBEXRNCKY-PXEQJPNCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC/C=C/CCC)C1 ZINC001665642626 1355345224 /nfs/dbraw/zinc/34/52/24/1355345224.db2.gz XLKWDKBEXRNCKY-PXEQJPNCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC/C=C/CCC)C1 ZINC001665642626 1355345229 /nfs/dbraw/zinc/34/52/29/1355345229.db2.gz XLKWDKBEXRNCKY-PXEQJPNCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001666563392 1355545546 /nfs/dbraw/zinc/54/55/46/1355545546.db2.gz MUVKPSFJVACNTO-LPHOPBHVSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001666563392 1355545553 /nfs/dbraw/zinc/54/55/53/1355545553.db2.gz MUVKPSFJVACNTO-LPHOPBHVSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001666825598 1355597651 /nfs/dbraw/zinc/59/76/51/1355597651.db2.gz LQWPCXXLUVQVTN-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001666825598 1355597658 /nfs/dbraw/zinc/59/76/58/1355597658.db2.gz LQWPCXXLUVQVTN-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001672796892 1356586201 /nfs/dbraw/zinc/58/62/01/1356586201.db2.gz YCQSXQZVBJYAPC-RTBURBONSA-N 2 1 345.531 2.493 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481689 1356844082 /nfs/dbraw/zinc/84/40/82/1356844082.db2.gz YLYXBTQTGZPITD-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674481689 1356844084 /nfs/dbraw/zinc/84/40/84/1356844084.db2.gz YLYXBTQTGZPITD-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674481689 1356844089 /nfs/dbraw/zinc/84/40/89/1356844089.db2.gz YLYXBTQTGZPITD-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)CC1 ZINC001699694587 1405449167 /nfs/dbraw/zinc/44/91/67/1405449167.db2.gz KPUGOXMHKNKCQJ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)C1CC[NH+](C)CC1 ZINC000917578911 798286693 /nfs/dbraw/zinc/28/66/93/798286693.db2.gz ZJSJQMSGSYNTOG-IBGZPJMESA-N 2 1 348.535 2.380 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1CC ZINC001566012590 1125499771 /nfs/dbraw/zinc/49/97/71/1125499771.db2.gz OASGBCDXFIVZRB-IXDOHACOSA-N 2 1 330.476 2.389 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1CC ZINC001566012590 1125499774 /nfs/dbraw/zinc/49/97/74/1125499774.db2.gz OASGBCDXFIVZRB-IXDOHACOSA-N 2 1 330.476 2.389 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001437310239 1089468220 /nfs/dbraw/zinc/46/82/20/1089468220.db2.gz JKPGPROMNOQAHN-YOEHRIQHSA-N 2 1 345.890 2.390 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846835 1091483693 /nfs/dbraw/zinc/48/36/93/1091483693.db2.gz HQBICNWOQWYNGS-INIZCTEOSA-N 2 1 336.505 2.190 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570211 1101171099 /nfs/dbraw/zinc/17/10/99/1101171099.db2.gz OAGQKEFZLTUPAP-PMACEKPBSA-N 2 1 341.499 2.057 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570211 1101171100 /nfs/dbraw/zinc/17/11/00/1101171100.db2.gz OAGQKEFZLTUPAP-PMACEKPBSA-N 2 1 341.499 2.057 10 30 EEEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001495914276 1101756526 /nfs/dbraw/zinc/75/65/26/1101756526.db2.gz DNYDUUZRPKJUER-KRWDZBQOSA-N 2 1 331.504 2.293 10 30 EEEEMP 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465092921 /nfs/dbraw/zinc/09/29/21/465092921.db2.gz UJDLHDUISMVNEQ-XHSDSOJGSA-N 2 1 331.464 2.151 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440897 468589435 /nfs/dbraw/zinc/58/94/35/468589435.db2.gz JDFNTOWTIFLPEZ-ZWKOTPCHSA-N 2 1 328.460 2.178 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1 ZINC000562989823 469125986 /nfs/dbraw/zinc/12/59/86/469125986.db2.gz SYVGBKSTQVSJGK-DNVCBOLYSA-N 2 1 341.459 2.038 10 30 EEEEMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C#N ZINC000619653816 469659052 /nfs/dbraw/zinc/65/90/52/469659052.db2.gz LWKSEVREYQTHQE-SFHVURJKSA-N 2 1 329.444 2.300 10 30 EEEEMP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684005 472205999 /nfs/dbraw/zinc/20/59/99/472205999.db2.gz ABBHKUDFSRQCGO-ICSRJNTNSA-N 2 1 327.472 2.466 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000924038319 675043170 /nfs/dbraw/zinc/04/31/70/675043170.db2.gz ZZBXWBVGYTVANV-QPIRBTGLSA-N 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ZINC001267132677 1178303904 /nfs/dbraw/zinc/30/39/04/1178303904.db2.gz RCKQTZZZEZEBMO-KDOFPFPSSA-N 2 1 347.528 2.447 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001267132677 1178303911 /nfs/dbraw/zinc/30/39/11/1178303911.db2.gz RCKQTZZZEZEBMO-KDOFPFPSSA-N 2 1 347.528 2.447 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001267914889 1180755796 /nfs/dbraw/zinc/75/57/96/1180755796.db2.gz QHWBDDLWVBGYGL-UHFFFAOYSA-N 2 1 341.499 2.012 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451100 /nfs/dbraw/zinc/45/11/00/1181451100.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451105 /nfs/dbraw/zinc/45/11/05/1181451105.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451111 /nfs/dbraw/zinc/45/11/11/1181451111.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001481510348 1181599507 /nfs/dbraw/zinc/59/95/07/1181599507.db2.gz UUWIXTUEUVQMPS-ROUUACIJSA-N 2 1 333.520 2.158 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268184374 1181973592 /nfs/dbraw/zinc/97/35/92/1181973592.db2.gz ANLNVAWSKOVGKY-WMLDXEAASA-N 2 1 334.464 2.143 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268631267 1183557675 /nfs/dbraw/zinc/55/76/75/1183557675.db2.gz ZPNPZILEIXVZMY-RURPWVQCSA-N 2 1 340.471 2.195 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268631267 1183557682 /nfs/dbraw/zinc/55/76/82/1183557682.db2.gz ZPNPZILEIXVZMY-RURPWVQCSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001269356732 1184205030 /nfs/dbraw/zinc/20/50/30/1184205030.db2.gz UDEUWMZPQSINMB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[N@@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001269644927 1184469344 /nfs/dbraw/zinc/46/93/44/1184469344.db2.gz TWNLPRFPHZNCMU-UHFFFAOYSA-N 2 1 348.491 2.132 10 30 EEEEMP C=CC[N@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001269644927 1184469348 /nfs/dbraw/zinc/46/93/48/1184469348.db2.gz TWNLPRFPHZNCMU-UHFFFAOYSA-N 2 1 348.491 2.132 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270331665 1185024199 /nfs/dbraw/zinc/02/41/99/1185024199.db2.gz LGHDPZXTZGETFY-QLOJAFMTSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CCCCCC)CC2 ZINC001270864098 1185531512 /nfs/dbraw/zinc/53/15/12/1185531512.db2.gz PEGWQYXMVAGDHJ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001271645048 1186355810 /nfs/dbraw/zinc/35/58/10/1186355810.db2.gz LQDWZYACWBGSHY-IAGOWNOFSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507095 /nfs/dbraw/zinc/50/70/95/1187507095.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507099 /nfs/dbraw/zinc/50/70/99/1187507099.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507102 /nfs/dbraw/zinc/50/71/02/1187507102.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C/CC)CC2 ZINC001272804859 1193507758 /nfs/dbraw/zinc/50/77/58/1193507758.db2.gz JMZAPFNUAAPSHB-UEKDZROGSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C/CC)CC2 ZINC001272804859 1193507760 /nfs/dbraw/zinc/50/77/60/1193507760.db2.gz JMZAPFNUAAPSHB-UEKDZROGSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC=C)C1 ZINC001691620173 1188320573 /nfs/dbraw/zinc/32/05/73/1188320573.db2.gz HYJLKHLRJXQSGO-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC=C)C1 ZINC001691620173 1188320576 /nfs/dbraw/zinc/32/05/76/1188320576.db2.gz HYJLKHLRJXQSGO-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001483793979 1191033278 /nfs/dbraw/zinc/03/32/78/1191033278.db2.gz BWZAPNIBDXYEKB-UHFFFAOYSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCCF)CC1 ZINC001483983810 1191141910 /nfs/dbraw/zinc/14/19/10/1191141910.db2.gz BTJKHPOPLBLYDH-GOSISDBHSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001272690608 1191547002 /nfs/dbraw/zinc/54/70/02/1191547002.db2.gz BVIQSIRGJUKQIR-GPMSIDNRSA-N 2 1 327.472 2.317 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001486234967 1193787185 /nfs/dbraw/zinc/78/71/85/1193787185.db2.gz PFZOCKDTVROQJZ-ROUUACIJSA-N 2 1 331.504 2.243 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C(C)C ZINC000875087453 1199133418 /nfs/dbraw/zinc/13/34/18/1199133418.db2.gz MMLIEPPNKDPSCH-CEXWTWQISA-N 2 1 348.535 2.421 10 30 EEEEMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001274863582 1205192137 /nfs/dbraw/zinc/19/21/37/1205192137.db2.gz YLRIFPLCLXHUBH-UHFFFAOYSA-N 2 1 349.519 2.130 10 30 EEEEMP C[NH+]=C(NCc1ccon1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000095974952 1215640657 /nfs/dbraw/zinc/64/06/57/1215640657.db2.gz JMNHYXFXVFPSGP-GOSISDBHSA-N 2 1 341.459 2.047 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001491351234 1258992402 /nfs/dbraw/zinc/99/24/02/1258992402.db2.gz BRIXVKBEJUKSLZ-FAFZWHIHSA-N 2 1 331.504 2.434 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001488760455 1290178207 /nfs/dbraw/zinc/17/82/07/1290178207.db2.gz ABPWTAKCTFNVPQ-SCTDSRPQSA-N 2 1 331.504 2.291 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870816 1292223248 /nfs/dbraw/zinc/22/32/48/1292223248.db2.gz GSMKQRHEQFGMII-FXAWDEMLSA-N 2 1 339.483 2.016 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001277516938 1303813008 /nfs/dbraw/zinc/81/30/08/1303813008.db2.gz RFDLDQDHVRPZCA-SJLPKXTDSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001277587175 1303947576 /nfs/dbraw/zinc/94/75/76/1303947576.db2.gz LEFARJOXBXYRKZ-SJLPKXTDSA-N 2 1 332.492 2.451 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001278498467 1310828545 /nfs/dbraw/zinc/82/85/45/1310828545.db2.gz LFGKUYVDUVWCOU-RXVVDRJESA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516178 1317083006 /nfs/dbraw/zinc/08/30/06/1317083006.db2.gz OWXVSTVIPFWKFR-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001278550564 1317212282 /nfs/dbraw/zinc/21/22/82/1317212282.db2.gz UOMPCAFZZVSBST-APWZRJJASA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001278685159 1317707700 /nfs/dbraw/zinc/70/77/00/1317707700.db2.gz SXPXJTLLPRSUKI-ROUUACIJSA-N 2 1 327.472 2.139 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001264186316 1322653576 /nfs/dbraw/zinc/65/35/76/1322653576.db2.gz XKFDEIZCFFSAJQ-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001264186316 1322653579 /nfs/dbraw/zinc/65/35/79/1322653579.db2.gz XKFDEIZCFFSAJQ-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001265114555 1322927247 /nfs/dbraw/zinc/92/72/47/1322927247.db2.gz FAZAMPHEXFGTCR-VQIMIIECSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001265114555 1322927250 /nfs/dbraw/zinc/92/72/50/1322927250.db2.gz FAZAMPHEXFGTCR-VQIMIIECSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001265114555 1322927253 /nfs/dbraw/zinc/92/72/53/1322927253.db2.gz FAZAMPHEXFGTCR-VQIMIIECSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001265340401 1323086883 /nfs/dbraw/zinc/08/68/83/1323086883.db2.gz QDYMRYDGDVINTI-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001281777939 1325450104 /nfs/dbraw/zinc/45/01/04/1325450104.db2.gz WPLJCTLUPRFBEK-HXUWFJFHSA-N 2 1 339.483 2.211 10 30 EEEEMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001281777939 1325450112 /nfs/dbraw/zinc/45/01/12/1325450112.db2.gz WPLJCTLUPRFBEK-HXUWFJFHSA-N 2 1 339.483 2.211 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001281840110 1325483700 /nfs/dbraw/zinc/48/37/00/1325483700.db2.gz JUPXAOPGIHDHCF-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001281840110 1325483703 /nfs/dbraw/zinc/48/37/03/1325483703.db2.gz JUPXAOPGIHDHCF-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001281840110 1325483716 /nfs/dbraw/zinc/48/37/16/1325483716.db2.gz JUPXAOPGIHDHCF-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282335596 1325694642 /nfs/dbraw/zinc/69/46/42/1325694642.db2.gz PVUOKKHBDARYFD-IBGZPJMESA-N 2 1 341.499 2.064 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001284095206 1326404317 /nfs/dbraw/zinc/40/43/17/1326404317.db2.gz DQRYCSPQQMLUGW-KZNAEPCWSA-N 2 1 333.520 2.204 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149077 1326435484 /nfs/dbraw/zinc/43/54/84/1326435484.db2.gz RONPUQVIUFJYFM-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149077 1326435486 /nfs/dbraw/zinc/43/54/86/1326435486.db2.gz RONPUQVIUFJYFM-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149077 1326435487 /nfs/dbraw/zinc/43/54/87/1326435487.db2.gz RONPUQVIUFJYFM-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149077 1326435489 /nfs/dbraw/zinc/43/54/89/1326435489.db2.gz RONPUQVIUFJYFM-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316641366 1327163561 /nfs/dbraw/zinc/16/35/61/1327163561.db2.gz CWNQLZYEOPJOGJ-GBESFXJTSA-N 2 1 347.478 2.437 10 30 EEEEMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001317624831 1332334160 /nfs/dbraw/zinc/33/41/60/1332334160.db2.gz XDVZBAXQVXXYHJ-AWEZNQCLSA-N 2 1 346.313 2.065 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453965 1333889420 /nfs/dbraw/zinc/88/94/20/1333889420.db2.gz COHCAYHCEPQPRG-AZUAARDMSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001325679503 1333939498 /nfs/dbraw/zinc/93/94/98/1333939498.db2.gz KMSCOHREPFKQAR-QWFCFKBJSA-N 2 1 341.499 2.435 10 30 EEEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001326467125 1334099315 /nfs/dbraw/zinc/09/93/15/1334099315.db2.gz FJSQZIKVQUMJHE-FRQCXROJSA-N 2 1 327.472 2.317 10 30 EEEEMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001326603272 1334123206 /nfs/dbraw/zinc/12/32/06/1334123206.db2.gz JLWVTQMLDAPRIF-LJQANCHMSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001328734008 1334510339 /nfs/dbraw/zinc/51/03/39/1334510339.db2.gz URGLDPPYDLJOMS-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001328734008 1334510341 /nfs/dbraw/zinc/51/03/41/1334510341.db2.gz URGLDPPYDLJOMS-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001328734008 1334510343 /nfs/dbraw/zinc/51/03/43/1334510343.db2.gz URGLDPPYDLJOMS-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1C ZINC001331944457 1335683430 /nfs/dbraw/zinc/68/34/30/1335683430.db2.gz QLZJGQRAOIEHLD-VQIMIIECSA-N 2 1 345.462 2.096 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668214023 1355900996 /nfs/dbraw/zinc/90/09/96/1355900996.db2.gz HMHXOLVVWGKALA-XJKSGUPXSA-N 2 1 333.879 2.436 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566879542 1342646999 /nfs/dbraw/zinc/64/69/99/1342646999.db2.gz OPZQFFILMOUZAE-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879542 1342647001 /nfs/dbraw/zinc/64/70/01/1342647001.db2.gz OPZQFFILMOUZAE-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879542 1342647004 /nfs/dbraw/zinc/64/70/04/1342647004.db2.gz OPZQFFILMOUZAE-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001566991154 1342674646 /nfs/dbraw/zinc/67/46/46/1342674646.db2.gz KGMVAMXZSMCBJO-UHFFFAOYSA-N 2 1 341.499 2.397 10 30 EEEEMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001567571079 1342785848 /nfs/dbraw/zinc/78/58/48/1342785848.db2.gz NCNGYBFGJOVUIE-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567807533 1342843249 /nfs/dbraw/zinc/84/32/49/1342843249.db2.gz NMBSDUODEHSTAV-KDOFPFPSSA-N 2 1 325.472 2.354 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567807533 1342843254 /nfs/dbraw/zinc/84/32/54/1342843254.db2.gz NMBSDUODEHSTAV-KDOFPFPSSA-N 2 1 325.472 2.354 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001676365394 1357141303 /nfs/dbraw/zinc/14/13/03/1357141303.db2.gz WYZOKVRWLFCZDX-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001676365394 1357141304 /nfs/dbraw/zinc/14/13/04/1357141304.db2.gz WYZOKVRWLFCZDX-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001677018979 1357263386 /nfs/dbraw/zinc/26/33/86/1357263386.db2.gz NRKIQRVIRJERLM-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c(F)c1 ZINC001677642481 1357381478 /nfs/dbraw/zinc/38/14/78/1357381478.db2.gz CBNXMRHBEUTFQK-PKOBYXMFSA-N 2 1 343.446 2.182 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554668 1352631501 /nfs/dbraw/zinc/63/15/01/1352631501.db2.gz GBWZTMSZFGKYHZ-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554668 1352631506 /nfs/dbraw/zinc/63/15/06/1352631506.db2.gz GBWZTMSZFGKYHZ-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001672530955 1356546556 /nfs/dbraw/zinc/54/65/56/1356546556.db2.gz OPFLSYJJADWMOB-WOJBJXKFSA-N 2 1 339.483 2.055 10 30 EEEEMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487507 1356995060 /nfs/dbraw/zinc/99/50/60/1356995060.db2.gz ZKIJKZNNYSTSTB-ROUUACIJSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487507 1356995063 /nfs/dbraw/zinc/99/50/63/1356995063.db2.gz ZKIJKZNNYSTSTB-ROUUACIJSA-N 2 1 327.472 2.139 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001691837595 1404950412 /nfs/dbraw/zinc/95/04/12/1404950412.db2.gz IKADRBRUXQSPRB-HFTRVMKXSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441889 /nfs/dbraw/zinc/44/18/89/1405441889.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441891 /nfs/dbraw/zinc/44/18/91/1405441891.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441895 /nfs/dbraw/zinc/44/18/95/1405441895.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441899 /nfs/dbraw/zinc/44/18/99/1405441899.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441902 /nfs/dbraw/zinc/44/19/02/1405441902.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000940806996 779315869 /nfs/dbraw/zinc/31/58/69/779315869.db2.gz FIRZDWGGCXSAPV-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000940806996 779315872 /nfs/dbraw/zinc/31/58/72/779315872.db2.gz FIRZDWGGCXSAPV-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC1(C)C ZINC000940806996 779315878 /nfs/dbraw/zinc/31/58/78/779315878.db2.gz FIRZDWGGCXSAPV-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC1(C)C ZINC000940806996 779315884 /nfs/dbraw/zinc/31/58/84/779315884.db2.gz FIRZDWGGCXSAPV-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074692 779793480 /nfs/dbraw/zinc/79/34/80/779793480.db2.gz FFLYLHJIQJPQGE-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941074692 779793486 /nfs/dbraw/zinc/79/34/86/779793486.db2.gz FFLYLHJIQJPQGE-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941074692 779793497 /nfs/dbraw/zinc/79/34/97/779793497.db2.gz FFLYLHJIQJPQGE-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001565995448 1125492309 /nfs/dbraw/zinc/49/23/09/1125492309.db2.gz RRUXROKMLXNJDR-RLLQIKCJSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001566462535 1125623778 /nfs/dbraw/zinc/62/37/78/1125623778.db2.gz XROUUCYNVABCFS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1 ZINC001566462535 1125623780 /nfs/dbraw/zinc/62/37/80/1125623780.db2.gz XROUUCYNVABCFS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1 ZINC001566462535 1125623783 /nfs/dbraw/zinc/62/37/83/1125623783.db2.gz XROUUCYNVABCFS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1 ZINC001566462535 1125623788 /nfs/dbraw/zinc/62/37/88/1125623788.db2.gz XROUUCYNVABCFS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001436420021 1087780129 /nfs/dbraw/zinc/78/01/29/1087780129.db2.gz CMULTFKFIRTQIE-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437673548 1090203033 /nfs/dbraw/zinc/20/30/33/1090203033.db2.gz PXRWKPAAGOJTOR-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437673548 1090203039 /nfs/dbraw/zinc/20/30/39/1090203039.db2.gz PXRWKPAAGOJTOR-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(Br)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686089 1095667347 /nfs/dbraw/zinc/66/73/47/1095667347.db2.gz JTBJHCGRBYTMME-ZIAGYGMSSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686089 1095667349 /nfs/dbraw/zinc/66/73/49/1095667349.db2.gz JTBJHCGRBYTMME-ZIAGYGMSSA-N 2 1 346.313 2.063 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858972 1095958213 /nfs/dbraw/zinc/95/82/13/1095958213.db2.gz JSWODMZVJCHGLY-PBHICJAKSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001479610215 1098630781 /nfs/dbraw/zinc/63/07/81/1098630781.db2.gz BYIDIZGCSOZBDG-MISYRCLQSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001479776139 1098955042 /nfs/dbraw/zinc/95/50/42/1098955042.db2.gz BZXLWELPWGEJMF-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC001479776139 1098955046 /nfs/dbraw/zinc/95/50/46/1098955046.db2.gz BZXLWELPWGEJMF-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)c(F)c1 ZINC001479776139 1098955047 /nfs/dbraw/zinc/95/50/47/1098955047.db2.gz BZXLWELPWGEJMF-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)c(F)c1 ZINC001479776139 1098955057 /nfs/dbraw/zinc/95/50/57/1098955057.db2.gz BZXLWELPWGEJMF-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521793 1100351178 /nfs/dbraw/zinc/35/11/78/1100351178.db2.gz LFHISYHWFFOKRC-LPHOPBHVSA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001494018342 1103354537 /nfs/dbraw/zinc/35/45/37/1103354537.db2.gz LPCHAFVEKHRGAP-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494018342 1103354545 /nfs/dbraw/zinc/35/45/45/1103354545.db2.gz LPCHAFVEKHRGAP-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494018342 1103354560 /nfs/dbraw/zinc/35/45/60/1103354560.db2.gz LPCHAFVEKHRGAP-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494167004 1103634096 /nfs/dbraw/zinc/63/40/96/1103634096.db2.gz OIHHZQFFFORBFS-INIZCTEOSA-N 2 1 339.443 2.237 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494167004 1103634097 /nfs/dbraw/zinc/63/40/97/1103634097.db2.gz OIHHZQFFFORBFS-INIZCTEOSA-N 2 1 339.443 2.237 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984686 1104629814 /nfs/dbraw/zinc/62/98/14/1104629814.db2.gz JYBNTQBZVBKDJI-RBUKOAKNSA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001480598212 1106738284 /nfs/dbraw/zinc/73/82/84/1106738284.db2.gz ZGWRJBVTDAOMGU-HNNXBMFYSA-N 2 1 335.879 2.126 10 30 EEEEMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769758 1107081354 /nfs/dbraw/zinc/08/13/54/1107081354.db2.gz BYMILYOWUNMHMZ-QGZVFWFLSA-N 2 1 327.472 2.007 10 30 EEEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001498824304 1108172240 /nfs/dbraw/zinc/17/22/40/1108172240.db2.gz BRBULVPJDDMYEE-HSALFYBXSA-N 2 1 341.499 2.392 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCCC)CC1 ZINC001500048188 1112592164 /nfs/dbraw/zinc/59/21/64/1112592164.db2.gz CNLLJYIPDCLTKW-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001502471114 1113697005 /nfs/dbraw/zinc/69/70/05/1113697005.db2.gz XNPSLJNGAQXMCM-QGZVFWFLSA-N 2 1 349.519 2.012 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001502473558 1113697620 /nfs/dbraw/zinc/69/76/20/1113697620.db2.gz RQEKVIPFSAWPES-ZWKOTPCHSA-N 2 1 349.519 2.033 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430688 1113964544 /nfs/dbraw/zinc/96/45/44/1113964544.db2.gz HUETVXOLUAZJHN-HZPDHXFCSA-N 2 1 325.884 2.004 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430688 1113964545 /nfs/dbraw/zinc/96/45/45/1113964545.db2.gz HUETVXOLUAZJHN-HZPDHXFCSA-N 2 1 325.884 2.004 10 30 EEEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001506548515 1114690426 /nfs/dbraw/zinc/69/04/26/1114690426.db2.gz JKPNVRJBDXXOQC-YJBOKZPZSA-N 2 1 325.472 2.097 10 30 EEEEMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001506992255 1115037397 /nfs/dbraw/zinc/03/73/97/1115037397.db2.gz COWQSAPWUTVMAV-RBUKOAKNSA-N 2 1 342.487 2.130 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001568095619 1124299149 /nfs/dbraw/zinc/29/91/49/1124299149.db2.gz AUOFFCDVGQEABY-UHFFFAOYSA-N 2 1 330.476 2.213 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568919906 1124947021 /nfs/dbraw/zinc/94/70/21/1124947021.db2.gz LAIIQHUJSLLVMA-KJPDOMRESA-N 2 1 331.863 2.213 10 30 EEEEMP OCC[C@H]1CCCCC[N@H+]1CC#CC[NH+]1CCCCC[C@H]1CCO ZINC000342055040 539830976 /nfs/dbraw/zinc/83/09/76/539830976.db2.gz YEPOSCIYXGKHRD-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP OCC[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342055040 539830979 /nfs/dbraw/zinc/83/09/79/539830979.db2.gz YEPOSCIYXGKHRD-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP OCC[C@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1CCO ZINC000342055040 539830982 /nfs/dbraw/zinc/83/09/82/539830982.db2.gz YEPOSCIYXGKHRD-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccnc1 ZINC000328652683 465090041 /nfs/dbraw/zinc/09/00/41/465090041.db2.gz WPLIZDCEEGIEGH-PXNSSMCTSA-N 2 1 346.438 2.384 10 30 EEEEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccnc1 ZINC000328652683 465090047 /nfs/dbraw/zinc/09/00/47/465090047.db2.gz WPLIZDCEEGIEGH-PXNSSMCTSA-N 2 1 346.438 2.384 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC[N@H+]1C ZINC000329456877 465340277 /nfs/dbraw/zinc/34/02/77/465340277.db2.gz QGBWZMWPSSIQSQ-GDBMZVCRSA-N 2 1 333.480 2.071 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000329456877 465340283 /nfs/dbraw/zinc/34/02/83/465340283.db2.gz QGBWZMWPSSIQSQ-GDBMZVCRSA-N 2 1 333.480 2.071 10 30 EEEEMP CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330031416 465512371 /nfs/dbraw/zinc/51/23/71/465512371.db2.gz TYKDBRKTLPYDGT-CQSZACIVSA-N 2 1 330.436 2.012 10 30 EEEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330031416 465512373 /nfs/dbraw/zinc/51/23/73/465512373.db2.gz TYKDBRKTLPYDGT-CQSZACIVSA-N 2 1 330.436 2.012 10 30 EEEEMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000599338349 469216740 /nfs/dbraw/zinc/21/67/40/469216740.db2.gz AMGUJNQDULFQOO-YLJYHZDGSA-N 2 1 326.488 2.325 10 30 EEEEMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000599338349 469216743 /nfs/dbraw/zinc/21/67/43/469216743.db2.gz AMGUJNQDULFQOO-YLJYHZDGSA-N 2 1 326.488 2.325 10 30 EEEEMP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657530922 485568642 /nfs/dbraw/zinc/56/86/42/485568642.db2.gz UUTPVFZAILRPPI-ZWKOTPCHSA-N 2 1 329.492 2.453 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000262809201 688512001 /nfs/dbraw/zinc/51/20/01/688512001.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCC[NH+]1CC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262809201 688512003 /nfs/dbraw/zinc/51/20/03/688512003.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCC[NH+]1CC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262809201 688512006 /nfs/dbraw/zinc/51/20/06/688512006.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCCN1CC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262809201 688512007 /nfs/dbraw/zinc/51/20/07/688512007.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 2 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCCN1CC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262809201 688512011 /nfs/dbraw/zinc/51/20/11/688512011.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 2 1 349.567 2.431 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001485612585 1191862001 /nfs/dbraw/zinc/86/20/01/1191862001.db2.gz SWCRMXPBIWVPHI-OWYHZJEWSA-N 2 1 342.487 2.014 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001485612585 1191862003 /nfs/dbraw/zinc/86/20/03/1191862003.db2.gz SWCRMXPBIWVPHI-OWYHZJEWSA-N 2 1 342.487 2.014 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001772514881 1176504625 /nfs/dbraw/zinc/50/46/25/1176504625.db2.gz DWWDWDLHGXZOLL-MSOLQXFVSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266431158 1176526127 /nfs/dbraw/zinc/52/61/27/1176526127.db2.gz LDXKHCINMNDHJH-QYZOEREBSA-N 2 1 327.472 2.002 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001692030403 1177735466 /nfs/dbraw/zinc/73/54/66/1177735466.db2.gz PJQJJWZEIJCSTQ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187471 /nfs/dbraw/zinc/18/74/71/1179187471.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187478 /nfs/dbraw/zinc/18/74/78/1179187478.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187481 /nfs/dbraw/zinc/18/74/81/1179187481.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268198407 1181992777 /nfs/dbraw/zinc/99/27/77/1181992777.db2.gz QRRSSBROQKFIFY-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268198407 1181992782 /nfs/dbraw/zinc/99/27/82/1181992782.db2.gz QRRSSBROQKFIFY-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCc1ccccc1 ZINC001268238520 1182059270 /nfs/dbraw/zinc/05/92/70/1182059270.db2.gz GTQHUZPPDUTQCA-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCc1ccccc1 ZINC001268238520 1182059278 /nfs/dbraw/zinc/05/92/78/1182059278.db2.gz GTQHUZPPDUTQCA-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCc1ccccc1 ZINC001268238520 1182059285 /nfs/dbraw/zinc/05/92/85/1182059285.db2.gz GTQHUZPPDUTQCA-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCc1ccccc1 ZINC001268238520 1182059291 /nfs/dbraw/zinc/05/92/91/1182059291.db2.gz GTQHUZPPDUTQCA-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268695322 1183617344 /nfs/dbraw/zinc/61/73/44/1183617344.db2.gz ZQQSOQHDEIIGES-AZUAARDMSA-N 2 1 341.499 2.253 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482289561 1185103678 /nfs/dbraw/zinc/10/36/78/1185103678.db2.gz UPWWJLUXTNHPKD-PBHICJAKSA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001482289561 1185103683 /nfs/dbraw/zinc/10/36/83/1185103683.db2.gz UPWWJLUXTNHPKD-PBHICJAKSA-N 2 1 333.480 2.193 10 30 EEEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001271771968 1186473617 /nfs/dbraw/zinc/47/36/17/1186473617.db2.gz FFJHJWCBZIGDPE-LJQANCHMSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506979 /nfs/dbraw/zinc/50/69/79/1187506979.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506982 /nfs/dbraw/zinc/50/69/82/1187506982.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506984 /nfs/dbraw/zinc/50/69/84/1187506984.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001482970243 1187910883 /nfs/dbraw/zinc/91/08/83/1187910883.db2.gz PXPCGTXHYKRSMR-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001670985517 1193538939 /nfs/dbraw/zinc/53/89/39/1193538939.db2.gz SYCFJVHWQCIMHW-VQTJNVASSA-N 2 1 345.531 2.443 10 30 EEEEMP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001670985517 1193538941 /nfs/dbraw/zinc/53/89/41/1193538941.db2.gz SYCFJVHWQCIMHW-VQTJNVASSA-N 2 1 345.531 2.443 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001670985517 1193538943 /nfs/dbraw/zinc/53/89/43/1193538943.db2.gz SYCFJVHWQCIMHW-VQTJNVASSA-N 2 1 345.531 2.443 10 30 EEEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001691587071 1188286765 /nfs/dbraw/zinc/28/67/65/1188286765.db2.gz YVLMRSMEZVWEOL-UXHICEINSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001691587071 1188286768 /nfs/dbraw/zinc/28/67/68/1188286768.db2.gz YVLMRSMEZVWEOL-UXHICEINSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001691587071 1188286770 /nfs/dbraw/zinc/28/67/70/1188286770.db2.gz YVLMRSMEZVWEOL-UXHICEINSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001691587071 1188286773 /nfs/dbraw/zinc/28/67/73/1188286773.db2.gz YVLMRSMEZVWEOL-UXHICEINSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484008422 1191153014 /nfs/dbraw/zinc/15/30/14/1191153014.db2.gz DAGHPCGREQDIQX-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001484554471 1191412849 /nfs/dbraw/zinc/41/28/49/1191412849.db2.gz WUSDFJNXEQFQAT-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484554471 1191412850 /nfs/dbraw/zinc/41/28/50/1191412850.db2.gz WUSDFJNXEQFQAT-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001484554471 1191412851 /nfs/dbraw/zinc/41/28/51/1191412851.db2.gz WUSDFJNXEQFQAT-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCC1 ZINC001484653074 1191457374 /nfs/dbraw/zinc/45/73/74/1191457374.db2.gz LFJWALQISLKWGE-UHFFFAOYSA-N 2 1 332.448 2.089 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001484827559 1191536393 /nfs/dbraw/zinc/53/63/93/1191536393.db2.gz PNBIYNYCTQTZKC-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001484827559 1191536395 /nfs/dbraw/zinc/53/63/95/1191536395.db2.gz PNBIYNYCTQTZKC-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001273428642 1198812054 /nfs/dbraw/zinc/81/20/54/1198812054.db2.gz WYGNFJIUACNHOH-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571893 1205422640 /nfs/dbraw/zinc/42/26/40/1205422640.db2.gz RYDJEMMMGMQERS-HOTGVXAUSA-N 2 1 333.451 2.000 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275707174 1205492671 /nfs/dbraw/zinc/49/26/71/1205492671.db2.gz QRHPQIOHDDZUEC-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275707174 1205492672 /nfs/dbraw/zinc/49/26/72/1205492672.db2.gz QRHPQIOHDDZUEC-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275707174 1205492673 /nfs/dbraw/zinc/49/26/73/1205492673.db2.gz QRHPQIOHDDZUEC-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275707174 1205492674 /nfs/dbraw/zinc/49/26/74/1205492674.db2.gz QRHPQIOHDDZUEC-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000246695459 1213005136 /nfs/dbraw/zinc/00/51/36/1213005136.db2.gz ZAXDCZXMMUHXJA-FMKPAKJESA-N 2 1 336.505 2.214 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000900370380 1234282708 /nfs/dbraw/zinc/28/27/08/1234282708.db2.gz CUICGAPHKYPZKB-UHFFFAOYSA-N 2 1 330.407 2.444 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001491048055 1258607755 /nfs/dbraw/zinc/60/77/55/1258607755.db2.gz OQKHFZRYIYWYBG-XBVQOTNRSA-N 2 1 330.476 2.345 10 30 EEEEMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001273569817 1280021064 /nfs/dbraw/zinc/02/10/64/1280021064.db2.gz XQIRXWZKGVQFEI-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349862 1290534987 /nfs/dbraw/zinc/53/49/87/1290534987.db2.gz LYIVGNPLRXOZJA-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C[N@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869643 1292222129 /nfs/dbraw/zinc/22/21/29/1292222129.db2.gz DBTWSEBKGXNRMN-LPHOPBHVSA-N 2 1 345.512 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001276803264 1297959967 /nfs/dbraw/zinc/95/99/67/1297959967.db2.gz YHWHQTQVGYZWSD-SJLPKXTDSA-N 2 1 348.491 2.143 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419676 1310181608 /nfs/dbraw/zinc/18/16/08/1310181608.db2.gz DOYVZNJSNWRQST-QFBILLFUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419676 1310181615 /nfs/dbraw/zinc/18/16/15/1310181615.db2.gz DOYVZNJSNWRQST-QFBILLFUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278432307 1310241977 /nfs/dbraw/zinc/24/19/77/1310241977.db2.gz CGRSVBBRPRAKCD-LJQANCHMSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278432307 1310241980 /nfs/dbraw/zinc/24/19/80/1310241980.db2.gz CGRSVBBRPRAKCD-LJQANCHMSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001278607063 1317347568 /nfs/dbraw/zinc/34/75/68/1317347568.db2.gz BZGDQONNOMCVCG-MRXNPFEDSA-N 2 1 330.476 2.248 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265446609 1323160094 /nfs/dbraw/zinc/16/00/94/1323160094.db2.gz LBHNSJGYVYZOCR-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280072567 1324075769 /nfs/dbraw/zinc/07/57/69/1324075769.db2.gz GUGCZEMPRNBYKH-AEFFLSMTSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280072567 1324075774 /nfs/dbraw/zinc/07/57/74/1324075774.db2.gz GUGCZEMPRNBYKH-AEFFLSMTSA-N 2 1 345.512 2.174 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001280758652 1324485763 /nfs/dbraw/zinc/48/57/63/1324485763.db2.gz DTSPWSNMCDNNPD-QGZVFWFLSA-N 2 1 348.491 2.180 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001280758652 1324485765 /nfs/dbraw/zinc/48/57/65/1324485765.db2.gz DTSPWSNMCDNNPD-QGZVFWFLSA-N 2 1 348.491 2.180 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364328 1325699841 /nfs/dbraw/zinc/69/98/41/1325699841.db2.gz MIPISIRLXOLTDE-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364328 1325699842 /nfs/dbraw/zinc/69/98/42/1325699842.db2.gz MIPISIRLXOLTDE-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364328 1325699845 /nfs/dbraw/zinc/69/98/45/1325699845.db2.gz MIPISIRLXOLTDE-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364328 1325699849 /nfs/dbraw/zinc/69/98/49/1325699849.db2.gz MIPISIRLXOLTDE-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001491585399 1330174059 /nfs/dbraw/zinc/17/40/59/1330174059.db2.gz NXKCOGZAXGGCSY-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001316808815 1331905356 /nfs/dbraw/zinc/90/53/56/1331905356.db2.gz GVXGRSQVIAJZQV-ZIAGYGMSSA-N 2 1 348.516 2.034 10 30 EEEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317050615 1332060893 /nfs/dbraw/zinc/06/08/93/1332060893.db2.gz JVYOWAXGGKYJCH-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001317050615 1332060894 /nfs/dbraw/zinc/06/08/94/1332060894.db2.gz JVYOWAXGGKYJCH-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001317050615 1332060895 /nfs/dbraw/zinc/06/08/95/1332060895.db2.gz JVYOWAXGGKYJCH-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840992 1332427712 /nfs/dbraw/zinc/42/77/12/1332427712.db2.gz YPGSIFUKURXHCH-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317840992 1332427714 /nfs/dbraw/zinc/42/77/14/1332427714.db2.gz YPGSIFUKURXHCH-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317840992 1332427717 /nfs/dbraw/zinc/42/77/17/1332427717.db2.gz YPGSIFUKURXHCH-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001318999906 1332635068 /nfs/dbraw/zinc/63/50/68/1332635068.db2.gz GMVOJYOFDKXCFU-UXHICEINSA-N 2 1 339.483 2.433 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567028321 1342683633 /nfs/dbraw/zinc/68/36/33/1342683633.db2.gz KICVFZBZNGDUNZ-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001567150717 1342702296 /nfs/dbraw/zinc/70/22/96/1342702296.db2.gz IIJOXDXNBZDCPO-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676018866 1357090614 /nfs/dbraw/zinc/09/06/14/1357090614.db2.gz VASZGCRGNKFFLU-YOEHRIQHSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001569706165 1342927617 /nfs/dbraw/zinc/92/76/17/1342927617.db2.gz BMCFGEVYQLYMPW-ROUUACIJSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001571065141 1343159527 /nfs/dbraw/zinc/15/95/27/1343159527.db2.gz ZYVJAQWHDPYWGJ-BGYRXZFFSA-N 2 1 333.520 2.465 10 30 EEEEMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001660368967 1354450281 /nfs/dbraw/zinc/45/02/81/1354450281.db2.gz OKWZOZCQTWAVRU-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996686 1354739013 /nfs/dbraw/zinc/73/90/13/1354739013.db2.gz OVXSLHSOEBVMCC-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001663524222 1354979501 /nfs/dbraw/zinc/97/95/01/1354979501.db2.gz VTWWDBGHKWHDKD-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001663524222 1354979504 /nfs/dbraw/zinc/97/95/04/1354979504.db2.gz VTWWDBGHKWHDKD-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001667107775 1355649081 /nfs/dbraw/zinc/64/90/81/1355649081.db2.gz HGGNAGXHVWNODM-VQIMIIECSA-N 2 1 339.499 2.343 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001667181765 1355666231 /nfs/dbraw/zinc/66/62/31/1355666231.db2.gz AYWWFAMOXPIEPX-SJLPKXTDSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001667751235 1355806351 /nfs/dbraw/zinc/80/63/51/1355806351.db2.gz IMNOWBIRPJIVAK-RDJZCZTQSA-N 2 1 346.475 2.335 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668309109 1355920172 /nfs/dbraw/zinc/92/01/72/1355920172.db2.gz DIUNYWNPKNNRGX-RDJZCZTQSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001671597990 1356369675 /nfs/dbraw/zinc/36/96/75/1356369675.db2.gz FCNYBCOJLSWGMG-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001671597990 1356369683 /nfs/dbraw/zinc/36/96/83/1356369683.db2.gz FCNYBCOJLSWGMG-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001671597990 1356369688 /nfs/dbraw/zinc/36/96/88/1356369688.db2.gz FCNYBCOJLSWGMG-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001674382797 1356825896 /nfs/dbraw/zinc/82/58/96/1356825896.db2.gz ZXAAAUPPNKOISB-HNNXBMFYSA-N 2 1 334.464 2.287 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C/C=C/Cl)CC1 ZINC001699785457 1405483661 /nfs/dbraw/zinc/48/36/61/1405483661.db2.gz PFNPNUGMCCDFAW-UXBLZVDNSA-N 2 1 325.884 2.007 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001566025073 1125502970 /nfs/dbraw/zinc/50/29/70/1125502970.db2.gz DSOHSPMZIPWFRF-IPMKNSEASA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001566025073 1125502975 /nfs/dbraw/zinc/50/29/75/1125502975.db2.gz DSOHSPMZIPWFRF-IPMKNSEASA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001566025073 1125502982 /nfs/dbraw/zinc/50/29/82/1125502982.db2.gz DSOHSPMZIPWFRF-IPMKNSEASA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566132022 1125583999 /nfs/dbraw/zinc/58/39/99/1125583999.db2.gz UUNFOSFEQAFAQZ-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795046 1088362821 /nfs/dbraw/zinc/36/28/21/1088362821.db2.gz GZPOYIVQYTYBEM-RBUKOAKNSA-N 2 1 340.471 2.027 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310933 1090788724 /nfs/dbraw/zinc/78/87/24/1090788724.db2.gz NCTSQWADWLEMBX-MOPGFXCFSA-N 2 1 342.487 2.417 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830925 1091451358 /nfs/dbraw/zinc/45/13/58/1091451358.db2.gz AHEKEOLINPATRL-VQIMIIECSA-N 2 1 342.487 2.130 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001439465966 1092250634 /nfs/dbraw/zinc/25/06/34/1092250634.db2.gz GYGIGBMPHQCDKY-CVEARBPZSA-N 2 1 327.900 2.344 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840138 /nfs/dbraw/zinc/84/01/38/1094840138.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840161 /nfs/dbraw/zinc/84/01/61/1094840161.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840180 /nfs/dbraw/zinc/84/01/80/1094840180.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 2 1 327.900 2.297 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001441420145 1095005923 /nfs/dbraw/zinc/00/59/23/1095005923.db2.gz QWIVWWUEKUHZSW-IYARVYRRSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001479597606 1098625341 /nfs/dbraw/zinc/62/53/41/1098625341.db2.gz PBYQOPHCKCKBOK-GUDVDZBRSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC2CC(C)C2)CC1 ZINC001479861347 1099174246 /nfs/dbraw/zinc/17/42/46/1099174246.db2.gz ODRPIWYCLUTRLO-UHFFFAOYSA-N 2 1 333.520 2.206 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001480463739 1100269289 /nfs/dbraw/zinc/26/92/89/1100269289.db2.gz HBONPILLANVACC-RPVQJOFSSA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627102 1101230829 /nfs/dbraw/zinc/23/08/29/1101230829.db2.gz ISVMOUVSPSDBOS-OALUTQOASA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684890 1101435028 /nfs/dbraw/zinc/43/50/28/1101435028.db2.gz YCELZKPKLBDVQE-LPHOPBHVSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001498055234 1106852987 /nfs/dbraw/zinc/85/29/87/1106852987.db2.gz NGUCHHKPTROEDX-XHSDSOJGSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001498055234 1106853003 /nfs/dbraw/zinc/85/30/03/1106853003.db2.gz NGUCHHKPTROEDX-XHSDSOJGSA-N 2 1 341.446 2.004 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805083 1107148061 /nfs/dbraw/zinc/14/80/61/1107148061.db2.gz DUORSGQMIBCTFY-INIZCTEOSA-N 2 1 333.451 2.003 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](CC)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001493045320 1107381852 /nfs/dbraw/zinc/38/18/52/1107381852.db2.gz PFVOVJNZVNFLNU-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001493045320 1107381867 /nfs/dbraw/zinc/38/18/67/1107381867.db2.gz PFVOVJNZVNFLNU-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479426767 1110695116 /nfs/dbraw/zinc/69/51/16/1110695116.db2.gz ZTXMNWPMBPHOCZ-VQTJNVASSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479426767 1110695118 /nfs/dbraw/zinc/69/51/18/1110695118.db2.gz ZTXMNWPMBPHOCZ-VQTJNVASSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479426767 1110695120 /nfs/dbraw/zinc/69/51/20/1110695120.db2.gz ZTXMNWPMBPHOCZ-VQTJNVASSA-N 2 1 339.483 2.078 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477970 1112307540 /nfs/dbraw/zinc/30/75/40/1112307540.db2.gz KXVZQDBYIIHIRA-MSOLQXFVSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC[NH+](C(C)C)CC1 ZINC001500047611 1112592160 /nfs/dbraw/zinc/59/21/60/1112592160.db2.gz VUKHKUISLHMQET-QGZVFWFLSA-N 2 1 342.487 2.089 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500160733 1112647840 /nfs/dbraw/zinc/64/78/40/1112647840.db2.gz CEHQWUREQCBSEM-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400380 1113344098 /nfs/dbraw/zinc/34/40/98/1113344098.db2.gz TXDAUYHIHDQECN-MSOLQXFVSA-N 2 1 328.460 2.060 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400380 1113344101 /nfs/dbraw/zinc/34/41/01/1113344101.db2.gz TXDAUYHIHDQECN-MSOLQXFVSA-N 2 1 328.460 2.060 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505833247 1114221624 /nfs/dbraw/zinc/22/16/24/1114221624.db2.gz AHSNWDSZLWKEEM-LJQANCHMSA-N 2 1 339.499 2.296 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427837 1115263103 /nfs/dbraw/zinc/26/31/03/1115263103.db2.gz LSTYDAMPYNFUIS-HUUCEWRRSA-N 2 1 348.516 2.334 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001540625561 1124088024 /nfs/dbraw/zinc/08/80/24/1124088024.db2.gz XJSPEEGRRPUCEM-UHFFFAOYSA-N 2 1 327.472 2.154 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001568437623 1124506083 /nfs/dbraw/zinc/50/60/83/1124506083.db2.gz BTZANNZUYLRXAE-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001568437623 1124506090 /nfs/dbraw/zinc/50/60/90/1124506090.db2.gz BTZANNZUYLRXAE-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001568437623 1124506100 /nfs/dbraw/zinc/50/61/00/1124506100.db2.gz BTZANNZUYLRXAE-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl ZINC001568826760 1124844569 /nfs/dbraw/zinc/84/45/69/1124844569.db2.gz HQQFLBAXBVBSFU-WRFKIARRSA-N 2 1 345.874 2.048 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC001569211357 1125167909 /nfs/dbraw/zinc/16/79/09/1125167909.db2.gz YHFSCITWMKNEMW-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC001569211357 1125167912 /nfs/dbraw/zinc/16/79/12/1125167912.db2.gz YHFSCITWMKNEMW-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000354098169 153106160 /nfs/dbraw/zinc/10/61/60/153106160.db2.gz VMYVLLNSBMRHNH-GOSISDBHSA-N 2 1 341.459 2.139 10 30 EEEEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000354098169 153106164 /nfs/dbraw/zinc/10/61/64/153106164.db2.gz VMYVLLNSBMRHNH-GOSISDBHSA-N 2 1 341.459 2.139 10 30 EEEEMP Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000328659890 465092489 /nfs/dbraw/zinc/09/24/89/465092489.db2.gz UJDLHDUISMVNEQ-OAGGEKHMSA-N 2 1 331.464 2.151 10 30 EEEEMP C[C@H](CO)[NH+](CC#CC[N@H+]([C@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179016 466455621 /nfs/dbraw/zinc/45/56/21/466455621.db2.gz ZIMWHXLJCFBHEA-QZTJIDSGSA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438653 468587395 /nfs/dbraw/zinc/58/73/95/468587395.db2.gz PHLPYIJAQNJHMS-NZSAHSFTSA-N 2 1 342.487 2.424 10 30 EEEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592521692 468720086 /nfs/dbraw/zinc/72/00/86/468720086.db2.gz APLDSYRGDDVBSB-HXUWFJFHSA-N 2 1 342.487 2.069 10 30 EEEEMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262432390 686049226 /nfs/dbraw/zinc/04/92/26/686049226.db2.gz FJSCBRQDDLVMLN-IRXDYDNUSA-N 2 1 346.523 2.049 10 30 EEEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001691979157 1176482789 /nfs/dbraw/zinc/48/27/89/1176482789.db2.gz FWUBUUNNIFCHAS-LJQANCHMSA-N 2 1 329.488 2.127 10 30 EEEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691979157 1176482802 /nfs/dbraw/zinc/48/28/02/1176482802.db2.gz FWUBUUNNIFCHAS-LJQANCHMSA-N 2 1 329.488 2.127 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691979157 1176482809 /nfs/dbraw/zinc/48/28/09/1176482809.db2.gz FWUBUUNNIFCHAS-LJQANCHMSA-N 2 1 329.488 2.127 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001671491465 1176835205 /nfs/dbraw/zinc/83/52/05/1176835205.db2.gz BUUKSFIVXAKKGI-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001266562375 1176852101 /nfs/dbraw/zinc/85/21/01/1176852101.db2.gz YGRQXNIUXDJSSG-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CC2CCCC2)CC1 ZINC001691197954 1177702167 /nfs/dbraw/zinc/70/21/67/1177702167.db2.gz AOZDIWXARYYRMR-UHFFFAOYSA-N 2 1 333.520 2.350 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116736 1178280105 /nfs/dbraw/zinc/28/01/05/1178280105.db2.gz GPAMJSYRORQVCN-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267182015 1178441314 /nfs/dbraw/zinc/44/13/14/1178441314.db2.gz SGOKTHVRPUCDMJ-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001267557875 1179356996 /nfs/dbraw/zinc/35/69/96/1179356996.db2.gz OBXVSXDCYHOHPG-SJORKVTESA-N 2 1 330.476 2.240 10 30 EEEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267565147 1179371904 /nfs/dbraw/zinc/37/19/04/1179371904.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565147 1179371911 /nfs/dbraw/zinc/37/19/11/1179371911.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565147 1179371918 /nfs/dbraw/zinc/37/19/18/1179371918.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001481185169 1180025400 /nfs/dbraw/zinc/02/54/00/1180025400.db2.gz WDZUBNUDGKSHKI-IBGZPJMESA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001481185169 1180025406 /nfs/dbraw/zinc/02/54/06/1180025406.db2.gz WDZUBNUDGKSHKI-IBGZPJMESA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001481185169 1180025411 /nfs/dbraw/zinc/02/54/11/1180025411.db2.gz WDZUBNUDGKSHKI-IBGZPJMESA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001267779989 1180518088 /nfs/dbraw/zinc/51/80/88/1180518088.db2.gz YEAKGMWQPRQNPP-RURPWVQCSA-N 2 1 331.504 2.221 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481443796 1181359781 /nfs/dbraw/zinc/35/97/81/1181359781.db2.gz GAWFPTSRUYILKG-XHSDSOJGSA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268078666 1181687314 /nfs/dbraw/zinc/68/73/14/1181687314.db2.gz HFDYINYVLWVRMJ-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268198406 1181992763 /nfs/dbraw/zinc/99/27/63/1181992763.db2.gz QRRSSBROQKFIFY-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268198406 1181992768 /nfs/dbraw/zinc/99/27/68/1181992768.db2.gz QRRSSBROQKFIFY-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCc1cccc(C)c1 ZINC001268689946 1183614465 /nfs/dbraw/zinc/61/44/65/1183614465.db2.gz FUZFEVWKVBPKOB-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCc1cccc(C)c1 ZINC001268689946 1183614469 /nfs/dbraw/zinc/61/44/69/1183614469.db2.gz FUZFEVWKVBPKOB-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1 ZINC001269575551 1184404341 /nfs/dbraw/zinc/40/43/41/1184404341.db2.gz GVOWYEOQKHPDJY-UHFFFAOYSA-N 2 1 332.448 2.089 10 30 EEEEMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001272041010 1187217750 /nfs/dbraw/zinc/21/77/50/1187217750.db2.gz JTDMTGXRNWSXJG-IBGZPJMESA-N 2 1 329.488 2.015 10 30 EEEEMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001272041010 1187217751 /nfs/dbraw/zinc/21/77/51/1187217751.db2.gz JTDMTGXRNWSXJG-IBGZPJMESA-N 2 1 329.488 2.015 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C)c1 ZINC001482931314 1187853131 /nfs/dbraw/zinc/85/31/31/1187853131.db2.gz ZYFGMIYKMCNEBT-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C)c1 ZINC001482931314 1187853137 /nfs/dbraw/zinc/85/31/37/1187853137.db2.gz ZYFGMIYKMCNEBT-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001272837678 1193571406 /nfs/dbraw/zinc/57/14/06/1193571406.db2.gz KJOYJMATMUDMOB-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001272837678 1193571408 /nfs/dbraw/zinc/57/14/08/1193571408.db2.gz KJOYJMATMUDMOB-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP CC[NH+]=C(NCCOC)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984404 1188846434 /nfs/dbraw/zinc/84/64/34/1188846434.db2.gz NOXGRIVEAKWMSG-HOCLYGCPSA-N 2 1 338.521 2.333 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691632309 1189309632 /nfs/dbraw/zinc/30/96/32/1189309632.db2.gz IIRIBFKELKEGDE-QGZVFWFLSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855711 1193617495 /nfs/dbraw/zinc/61/74/95/1193617495.db2.gz MOFOKBOPTAYQLR-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484821033 1191540008 /nfs/dbraw/zinc/54/00/08/1191540008.db2.gz KDNDBTYCODYROD-IBGZPJMESA-N 2 1 333.520 2.350 10 30 EEEEMP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001486376149 1193882921 /nfs/dbraw/zinc/88/29/21/1193882921.db2.gz YEMYCYURBSCZLU-QGZVFWFLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001486376149 1193882928 /nfs/dbraw/zinc/88/29/28/1193882928.db2.gz YEMYCYURBSCZLU-QGZVFWFLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=C(Br)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001410269688 1197650666 /nfs/dbraw/zinc/65/06/66/1197650666.db2.gz NTTYXGSBRTVUSE-ZIAGYGMSSA-N 2 1 346.313 2.110 10 30 EEEEMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872240336 1198106595 /nfs/dbraw/zinc/10/65/95/1198106595.db2.gz WDTNLQORPYRHSP-NHCUHLMSSA-N 2 1 335.451 2.108 10 30 EEEEMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872240336 1198106600 /nfs/dbraw/zinc/10/66/00/1198106600.db2.gz WDTNLQORPYRHSP-NHCUHLMSSA-N 2 1 335.451 2.108 10 30 EEEEMP C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000877651063 1200007078 /nfs/dbraw/zinc/00/70/78/1200007078.db2.gz RIDNICTVOWEEDL-GOSISDBHSA-N 2 1 328.456 2.243 10 30 EEEEMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867966703 1201716648 /nfs/dbraw/zinc/71/66/48/1201716648.db2.gz SPHXZFYNUAAQLR-LJQANCHMSA-N 2 1 334.423 2.493 10 30 EEEEMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001274035631 1204338621 /nfs/dbraw/zinc/33/86/21/1204338621.db2.gz HQWMEQPMPJJNLI-UHFFFAOYSA-N 2 1 339.483 2.374 10 30 EEEEMP CC#CC[N@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001274035631 1204338625 /nfs/dbraw/zinc/33/86/25/1204338625.db2.gz HQWMEQPMPJJNLI-UHFFFAOYSA-N 2 1 339.483 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001275189799 1205277721 /nfs/dbraw/zinc/27/77/21/1205277721.db2.gz AHJWNKVZWHGYDL-FQEVSTJZSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789328 1205527766 /nfs/dbraw/zinc/52/77/66/1205527766.db2.gz BJBHBDHCXVWUMX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789328 1205527768 /nfs/dbraw/zinc/52/77/68/1205527768.db2.gz BJBHBDHCXVWUMX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789328 1205527769 /nfs/dbraw/zinc/52/77/69/1205527769.db2.gz BJBHBDHCXVWUMX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789328 1205527772 /nfs/dbraw/zinc/52/77/72/1205527772.db2.gz BJBHBDHCXVWUMX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000903458939 1240529940 /nfs/dbraw/zinc/52/99/40/1240529940.db2.gz NNPAHGCVDIZWHL-INIZCTEOSA-N 2 1 330.823 2.099 10 30 EEEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000903458939 1240529944 /nfs/dbraw/zinc/52/99/44/1240529944.db2.gz NNPAHGCVDIZWHL-INIZCTEOSA-N 2 1 330.823 2.099 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C(C)C ZINC001211223145 1295762148 /nfs/dbraw/zinc/76/21/48/1295762148.db2.gz RDQSWIOCVJEODO-SQNIBIBYSA-N 2 1 334.508 2.031 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277941237 1305210544 /nfs/dbraw/zinc/21/05/44/1305210544.db2.gz MUUZCWXFXHRTBN-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](C(C)C)CC1 ZINC001278163091 1306144706 /nfs/dbraw/zinc/14/47/06/1306144706.db2.gz AXOLDOCWNGBOIV-PKOBYXMFSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001278336024 1309552648 /nfs/dbraw/zinc/55/26/48/1309552648.db2.gz OBPLCLLYGJOQMO-HKUYNNGSSA-N 2 1 337.483 2.004 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001278503352 1310877696 /nfs/dbraw/zinc/87/76/96/1310877696.db2.gz BJOVCHPPFRBCRU-UYAOXDASSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001264586537 1322741059 /nfs/dbraw/zinc/74/10/59/1322741059.db2.gz RAHIXCUYNJPNSQ-HOJAQTOUSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265038060 1322879305 /nfs/dbraw/zinc/87/93/05/1322879305.db2.gz XXRMORAKGHVFQI-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001265038060 1322879300 /nfs/dbraw/zinc/87/93/00/1322879300.db2.gz XXRMORAKGHVFQI-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265038060 1322879311 /nfs/dbraw/zinc/87/93/11/1322879311.db2.gz XXRMORAKGHVFQI-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401210 1323132206 /nfs/dbraw/zinc/13/22/06/1323132206.db2.gz NDJSRCJBOOEMIE-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597397 1323254504 /nfs/dbraw/zinc/25/45/04/1323254504.db2.gz XMSIZZLRIXNEEE-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597397 1323254510 /nfs/dbraw/zinc/25/45/10/1323254510.db2.gz XMSIZZLRIXNEEE-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001280325112 1324156683 /nfs/dbraw/zinc/15/66/83/1324156683.db2.gz QQNXALVIUZQPJS-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001280325112 1324156695 /nfs/dbraw/zinc/15/66/95/1324156695.db2.gz QQNXALVIUZQPJS-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001280325112 1324156698 /nfs/dbraw/zinc/15/66/98/1324156698.db2.gz QQNXALVIUZQPJS-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(F)ccc1C ZINC001282402922 1325710169 /nfs/dbraw/zinc/71/01/69/1325710169.db2.gz RWFURDYWZLQFDP-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(F)ccc1C ZINC001282402922 1325710171 /nfs/dbraw/zinc/71/01/71/1325710171.db2.gz RWFURDYWZLQFDP-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C ZINC001282402922 1325710174 /nfs/dbraw/zinc/71/01/74/1325710174.db2.gz RWFURDYWZLQFDP-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C ZINC001282402922 1325710177 /nfs/dbraw/zinc/71/01/77/1325710177.db2.gz RWFURDYWZLQFDP-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001282680906 1325764380 /nfs/dbraw/zinc/76/43/80/1325764380.db2.gz DCUKTRPYXSYTNW-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284066174 1326389582 /nfs/dbraw/zinc/38/95/82/1326389582.db2.gz FIKPORGYJCIKIT-MJGOQNOKSA-N 2 1 328.460 2.108 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284066174 1326389585 /nfs/dbraw/zinc/38/95/85/1326389585.db2.gz FIKPORGYJCIKIT-MJGOQNOKSA-N 2 1 328.460 2.108 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C/CCC)C1 ZINC001491811477 1330278612 /nfs/dbraw/zinc/27/86/12/1330278612.db2.gz FDFYCPBJDXJXEF-KAGICYHLSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C/CCC)C1 ZINC001491811477 1330278614 /nfs/dbraw/zinc/27/86/14/1330278614.db2.gz FDFYCPBJDXJXEF-KAGICYHLSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491952274 1330344131 /nfs/dbraw/zinc/34/41/31/1330344131.db2.gz PXCHXVVIVMPSLQ-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001491952274 1330344135 /nfs/dbraw/zinc/34/41/35/1330344135.db2.gz PXCHXVVIVMPSLQ-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001491952274 1330344140 /nfs/dbraw/zinc/34/41/40/1330344140.db2.gz PXCHXVVIVMPSLQ-HXUWFJFHSA-N 2 1 341.499 2.107 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031327 1330456118 /nfs/dbraw/zinc/45/61/18/1330456118.db2.gz KHUKGBWSEIYQAH-UYAOXDASSA-N 2 1 341.499 2.397 10 30 EEEEMP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001316933385 1331999323 /nfs/dbraw/zinc/99/93/23/1331999323.db2.gz JNCNZRJQKSKDLM-RTBURBONSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001317396878 1332213111 /nfs/dbraw/zinc/21/31/11/1332213111.db2.gz RMWZEVZAMUFSNO-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001317396878 1332213115 /nfs/dbraw/zinc/21/31/15/1332213115.db2.gz RMWZEVZAMUFSNO-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317436665 1332240149 /nfs/dbraw/zinc/24/01/49/1332240149.db2.gz XLNPCCBQXGGOAQ-SFHVURJKSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC/C=C\CC)C2)CC1 ZINC001317863594 1332435046 /nfs/dbraw/zinc/43/50/46/1332435046.db2.gz OCVINOMLHHDADR-RURPWVQCSA-N 2 1 345.531 2.468 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318424675 1332530874 /nfs/dbraw/zinc/53/08/74/1332530874.db2.gz LDTZCOXIBNYZSC-SFHVURJKSA-N 2 1 347.890 2.176 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318424675 1332530879 /nfs/dbraw/zinc/53/08/79/1332530879.db2.gz LDTZCOXIBNYZSC-SFHVURJKSA-N 2 1 347.890 2.176 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001319562519 1332721846 /nfs/dbraw/zinc/72/18/46/1332721846.db2.gz LDBQHOISZZXHIT-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322548503 1333281093 /nfs/dbraw/zinc/28/10/93/1333281093.db2.gz CMTQSEKLACAUGG-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322548503 1333281097 /nfs/dbraw/zinc/28/10/97/1333281097.db2.gz CMTQSEKLACAUGG-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327128352 1334228847 /nfs/dbraw/zinc/22/88/47/1334228847.db2.gz AWCHCSUDBOTHQD-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001327128352 1334228850 /nfs/dbraw/zinc/22/88/50/1334228850.db2.gz AWCHCSUDBOTHQD-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001327128352 1334228852 /nfs/dbraw/zinc/22/88/52/1334228852.db2.gz AWCHCSUDBOTHQD-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(Br)CN(C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001479816691 1337399642 /nfs/dbraw/zinc/39/96/42/1337399642.db2.gz XBOZOFHVYKDYTJ-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566689852 1342603636 /nfs/dbraw/zinc/60/36/36/1342603636.db2.gz WBESLNYKRONAST-QZTJIDSGSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478091 1342881545 /nfs/dbraw/zinc/88/15/45/1342881545.db2.gz QCDUTOXQXKCSSX-QFBILLFUSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478091 1342881551 /nfs/dbraw/zinc/88/15/51/1342881551.db2.gz QCDUTOXQXKCSSX-QFBILLFUSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569587280 1342904410 /nfs/dbraw/zinc/90/44/10/1342904410.db2.gz MXEAMZBFEKLEIF-YQVWRLOYSA-N 2 1 333.520 2.299 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001569672460 1342921700 /nfs/dbraw/zinc/92/17/00/1342921700.db2.gz ILQFCQLQYZFTEU-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001569672460 1342921702 /nfs/dbraw/zinc/92/17/02/1342921702.db2.gz ILQFCQLQYZFTEU-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569859577 1342960040 /nfs/dbraw/zinc/96/00/40/1342960040.db2.gz AFQMMXFGCYLJEM-FCGDIQPGSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001570781505 1343115046 /nfs/dbraw/zinc/11/50/46/1343115046.db2.gz RKXJJYDLOZFTKP-RBUKOAKNSA-N 2 1 329.488 2.385 10 30 EEEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001571063912 1343158574 /nfs/dbraw/zinc/15/85/74/1343158574.db2.gz IDGJJZMUUIFHFS-KDURUIRLSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001571063912 1343158581 /nfs/dbraw/zinc/15/85/81/1343158581.db2.gz IDGJJZMUUIFHFS-KDURUIRLSA-N 2 1 330.476 2.328 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878628 1357229924 /nfs/dbraw/zinc/22/99/24/1357229924.db2.gz ISQSYOCGEIEAPS-MSOLQXFVSA-N 2 1 336.524 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878628 1357229930 /nfs/dbraw/zinc/22/99/30/1357229930.db2.gz ISQSYOCGEIEAPS-MSOLQXFVSA-N 2 1 336.524 2.140 10 30 EEEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001662099135 1354749318 /nfs/dbraw/zinc/74/93/18/1354749318.db2.gz HMCNFOALKJGXDS-ABHNRTSZSA-N 2 1 339.524 2.304 10 30 EEEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001662099135 1354749320 /nfs/dbraw/zinc/74/93/20/1354749320.db2.gz HMCNFOALKJGXDS-ABHNRTSZSA-N 2 1 339.524 2.304 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001668468452 1355946315 /nfs/dbraw/zinc/94/63/15/1355946315.db2.gz ANQBCTRZRMDFTD-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001669584122 1356178466 /nfs/dbraw/zinc/17/84/66/1356178466.db2.gz KBKOUKBFQWOYCG-ICSRJNTNSA-N 2 1 341.499 2.304 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001669584122 1356178467 /nfs/dbraw/zinc/17/84/67/1356178467.db2.gz KBKOUKBFQWOYCG-ICSRJNTNSA-N 2 1 341.499 2.304 10 30 EEEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001671720430 1356402344 /nfs/dbraw/zinc/40/23/44/1356402344.db2.gz QTLRDAVGBYPVJV-HKUYNNGSSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001671720430 1356402352 /nfs/dbraw/zinc/40/23/52/1356402352.db2.gz QTLRDAVGBYPVJV-HKUYNNGSSA-N 2 1 339.524 2.116 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001672987155 1356627604 /nfs/dbraw/zinc/62/76/04/1356627604.db2.gz MBHGIRWZXSFGEQ-NCXUSEDFSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001674271734 1356810366 /nfs/dbraw/zinc/81/03/66/1356810366.db2.gz MGXNEXHBTFAVSU-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001674271734 1356810367 /nfs/dbraw/zinc/81/03/67/1356810367.db2.gz MGXNEXHBTFAVSU-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001674271734 1356810368 /nfs/dbraw/zinc/81/03/68/1356810368.db2.gz MGXNEXHBTFAVSU-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674749411 1356889427 /nfs/dbraw/zinc/88/94/27/1356889427.db2.gz ZAOZJCPNJVFJHM-HUUCEWRRSA-N 2 1 327.432 2.330 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)O2 ZINC001687937697 1358684571 /nfs/dbraw/zinc/68/45/71/1358684571.db2.gz GBVSYRLSGAARAA-ROUUACIJSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001698738420 1405038834 /nfs/dbraw/zinc/03/88/34/1405038834.db2.gz MYZJJKDTGBQSTN-UHFFFAOYSA-N 2 1 331.504 2.200 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001698956313 1405188125 /nfs/dbraw/zinc/18/81/25/1405188125.db2.gz SKHOLTDQGNHEHV-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001566028844 1125505100 /nfs/dbraw/zinc/50/51/00/1125505100.db2.gz HSQBCYKEXNMEBT-IPMKNSEASA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169992 1089192065 /nfs/dbraw/zinc/19/20/65/1089192065.db2.gz WGMVWULKVWAKQN-PBHICJAKSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001448561929 1093609492 /nfs/dbraw/zinc/60/94/92/1093609492.db2.gz PTUNFLKTRGBGJA-RBUKOAKNSA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001440959098 1094215151 /nfs/dbraw/zinc/21/51/51/1094215151.db2.gz YJSTYVWSDYYJOT-CQSZACIVSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001440959098 1094215157 /nfs/dbraw/zinc/21/51/57/1094215157.db2.gz YJSTYVWSDYYJOT-CQSZACIVSA-N 2 1 348.516 2.431 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441144642 1094481532 /nfs/dbraw/zinc/48/15/32/1094481532.db2.gz ZQFLXCSCRYTONO-LSDHHAIUSA-N 2 1 348.516 2.336 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001480739912 1107024643 /nfs/dbraw/zinc/02/46/43/1107024643.db2.gz UDCIEQIUCCKLTQ-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001480739912 1107024659 /nfs/dbraw/zinc/02/46/59/1107024659.db2.gz UDCIEQIUCCKLTQ-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001480739912 1107024676 /nfs/dbraw/zinc/02/46/76/1107024676.db2.gz UDCIEQIUCCKLTQ-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1CC)C(C)C ZINC001467659897 1110461234 /nfs/dbraw/zinc/46/12/34/1110461234.db2.gz BPGVFWBAXQVRHX-ROUUACIJSA-N 2 1 336.524 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001469978513 1110499394 /nfs/dbraw/zinc/49/93/94/1110499394.db2.gz FJCYBORVPGVOPU-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001469978513 1110499395 /nfs/dbraw/zinc/49/93/95/1110499395.db2.gz FJCYBORVPGVOPU-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978513 1110499396 /nfs/dbraw/zinc/49/93/96/1110499396.db2.gz FJCYBORVPGVOPU-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978513 1110499397 /nfs/dbraw/zinc/49/93/97/1110499397.db2.gz FJCYBORVPGVOPU-HKUYNNGSSA-N 2 1 346.519 2.180 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001500096333 1112614965 /nfs/dbraw/zinc/61/49/65/1112614965.db2.gz FYLMIXCYYOBFDV-RTBURBONSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001501183725 1113231858 /nfs/dbraw/zinc/23/18/58/1113231858.db2.gz FLMBXQULJKJJII-WKILWMFISA-N 2 1 338.883 2.456 10 30 EEEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001501672423 1113426951 /nfs/dbraw/zinc/42/69/51/1113426951.db2.gz FDTFSAXDBVEMPO-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001501672423 1113426953 /nfs/dbraw/zinc/42/69/53/1113426953.db2.gz FDTFSAXDBVEMPO-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001501718546 1113447951 /nfs/dbraw/zinc/44/79/51/1113447951.db2.gz MXBFFLVVIDOUSO-JYJNAYRXSA-N 2 1 327.900 2.345 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001502371409 1113649531 /nfs/dbraw/zinc/64/95/31/1113649531.db2.gz KCSLSAPBLGRLSR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081244 1115098343 /nfs/dbraw/zinc/09/83/43/1115098343.db2.gz BKLKMPAGNVCERX-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001508042277 1115399017 /nfs/dbraw/zinc/39/90/17/1115399017.db2.gz ATEZYMCXWHFMIJ-SFHVURJKSA-N 2 1 329.488 2.262 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001508042277 1115399018 /nfs/dbraw/zinc/39/90/18/1115399018.db2.gz ATEZYMCXWHFMIJ-SFHVURJKSA-N 2 1 329.488 2.262 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCC=C)CC1 ZINC001568087875 1124292477 /nfs/dbraw/zinc/29/24/77/1124292477.db2.gz RLEHWSJIMVZRRY-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCC=C)CC1 ZINC001568087875 1124292483 /nfs/dbraw/zinc/29/24/83/1124292483.db2.gz RLEHWSJIMVZRRY-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP Cc1cc(C#N)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532674736 468130842 /nfs/dbraw/zinc/13/08/42/468130842.db2.gz OXUVZTWIGPIXTN-UHFFFAOYSA-N 2 1 335.411 2.266 10 30 EEEEMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C#N ZINC000619653815 469658909 /nfs/dbraw/zinc/65/89/09/469658909.db2.gz LWKSEVREYQTHQE-GOSISDBHSA-N 2 1 329.444 2.300 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001691762981 1176387155 /nfs/dbraw/zinc/38/71/55/1176387155.db2.gz HTRYADNUQGFMAH-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001772514883 1176503884 /nfs/dbraw/zinc/50/38/84/1176503884.db2.gz DWWDWDLHGXZOLL-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622132 /nfs/dbraw/zinc/62/21/32/1176622132.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622133 /nfs/dbraw/zinc/62/21/33/1176622133.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622135 /nfs/dbraw/zinc/62/21/35/1176622135.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622137 /nfs/dbraw/zinc/62/21/37/1176622137.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622141 /nfs/dbraw/zinc/62/21/41/1176622141.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001691101137 1177578403 /nfs/dbraw/zinc/57/84/03/1177578403.db2.gz QSMIOSUJHMLJEW-YRXWBPOGSA-N 2 1 333.520 2.251 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001691101137 1177578408 /nfs/dbraw/zinc/57/84/08/1177578408.db2.gz QSMIOSUJHMLJEW-YRXWBPOGSA-N 2 1 333.520 2.251 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@H+](CC#Cc2ccccc2)C2CC2)CCC1 ZINC001691212874 1177718848 /nfs/dbraw/zinc/71/88/48/1177718848.db2.gz BYUFAPNZZKIKFV-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@@H+](CC#Cc2ccccc2)C2CC2)CCC1 ZINC001691212874 1177718851 /nfs/dbraw/zinc/71/88/51/1177718851.db2.gz BYUFAPNZZKIKFV-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892485 1177730539 /nfs/dbraw/zinc/73/05/39/1177730539.db2.gz VWDUWLCSLOLKOM-JKSUJKDBSA-N 2 1 331.460 2.426 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001691406287 1178018971 /nfs/dbraw/zinc/01/89/71/1178018971.db2.gz MONWXVVXQLSWJV-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001691406287 1178018980 /nfs/dbraw/zinc/01/89/80/1178018980.db2.gz MONWXVVXQLSWJV-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123962 1178291188 /nfs/dbraw/zinc/29/11/88/1178291188.db2.gz ZGXDIXLMDDJNEA-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001267602627 1179663787 /nfs/dbraw/zinc/66/37/87/1179663787.db2.gz HTCFEZJRBJQYSH-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267602627 1179663791 /nfs/dbraw/zinc/66/37/91/1179663791.db2.gz HTCFEZJRBJQYSH-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267602627 1179663794 /nfs/dbraw/zinc/66/37/94/1179663794.db2.gz HTCFEZJRBJQYSH-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268166068 1181902149 /nfs/dbraw/zinc/90/21/49/1181902149.db2.gz JFKOKZGDSYTFLY-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268255952 1182086246 /nfs/dbraw/zinc/08/62/46/1182086246.db2.gz ACWURYAKRSUBBE-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268255952 1182086249 /nfs/dbraw/zinc/08/62/49/1182086249.db2.gz ACWURYAKRSUBBE-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268255952 1182086251 /nfs/dbraw/zinc/08/62/51/1182086251.db2.gz ACWURYAKRSUBBE-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268255952 1182086255 /nfs/dbraw/zinc/08/62/55/1182086255.db2.gz ACWURYAKRSUBBE-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269643906 1184468030 /nfs/dbraw/zinc/46/80/30/1184468030.db2.gz CHWCKACNFYUFPT-GOSISDBHSA-N 2 1 339.524 2.088 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271665564 1186364340 /nfs/dbraw/zinc/36/43/40/1186364340.db2.gz LFTDICDFUAVQPN-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001670984598 1193538557 /nfs/dbraw/zinc/53/85/57/1193538557.db2.gz CWUNNPDRHKUGTG-RBUKOAKNSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001670984598 1193538558 /nfs/dbraw/zinc/53/85/58/1193538558.db2.gz CWUNNPDRHKUGTG-RBUKOAKNSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001670984598 1193538559 /nfs/dbraw/zinc/53/85/59/1193538559.db2.gz CWUNNPDRHKUGTG-RBUKOAKNSA-N 2 1 331.504 2.053 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483136721 1188682352 /nfs/dbraw/zinc/68/23/52/1188682352.db2.gz DFHDXCXELIONIP-RHSMWYFYSA-N 2 1 346.450 2.166 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001486143653 1193695537 /nfs/dbraw/zinc/69/55/37/1193695537.db2.gz CALNCQFTVRKMOV-CTNGQTDRSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272343843 1190777796 /nfs/dbraw/zinc/77/77/96/1190777796.db2.gz PELZNJIFGSBSFY-MOPGFXCFSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001272343843 1190777799 /nfs/dbraw/zinc/77/77/99/1190777799.db2.gz PELZNJIFGSBSFY-MOPGFXCFSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001483989467 1191144637 /nfs/dbraw/zinc/14/46/37/1191144637.db2.gz KOKGAWCAILVSEW-RMKNXTFCSA-N 2 1 325.884 2.005 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001484142977 1191237957 /nfs/dbraw/zinc/23/79/57/1191237957.db2.gz AOGFOBFOCLBULF-UHFFFAOYSA-N 2 1 330.476 2.213 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163933 1191251647 /nfs/dbraw/zinc/25/16/47/1191251647.db2.gz QJQHTMPUKLOOKG-IBGZPJMESA-N 2 1 331.504 2.104 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159456 1191674096 /nfs/dbraw/zinc/67/40/96/1191674096.db2.gz XLKYOWQUTDIOJM-HOTGVXAUSA-N 2 1 345.462 2.144 10 30 EEEEMP C#CCC1([NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933297049 1207754925 /nfs/dbraw/zinc/75/49/25/1207754925.db2.gz ADLNVTZXZVDGBH-HKUYNNGSSA-N 2 1 339.483 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001489333095 1290515678 /nfs/dbraw/zinc/51/56/78/1290515678.db2.gz JKEBKHFMJXVCJC-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001490281186 1291111959 /nfs/dbraw/zinc/11/19/59/1291111959.db2.gz HBNFBDGVGIEGKC-HUUCEWRRSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451927 1310326575 /nfs/dbraw/zinc/32/65/75/1310326575.db2.gz YYILEXIGMXFTTE-YLJYHZDGSA-N 2 1 331.504 2.267 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001279034790 1319053689 /nfs/dbraw/zinc/05/36/89/1319053689.db2.gz OBMHUHINXNIBCN-GOSISDBHSA-N 2 1 329.488 2.262 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001279034790 1319053698 /nfs/dbraw/zinc/05/36/98/1319053698.db2.gz OBMHUHINXNIBCN-GOSISDBHSA-N 2 1 329.488 2.262 10 30 EEEEMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001262948734 1322402902 /nfs/dbraw/zinc/40/29/02/1322402902.db2.gz VJKYGXBAXIGXPK-MRXNPFEDSA-N 2 1 332.496 2.153 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001264160624 1322645461 /nfs/dbraw/zinc/64/54/61/1322645461.db2.gz XXNMOZVRJMRILR-YZGWKJHDSA-N 2 1 341.499 2.203 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001264160624 1322645467 /nfs/dbraw/zinc/64/54/67/1322645467.db2.gz XXNMOZVRJMRILR-YZGWKJHDSA-N 2 1 341.499 2.203 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001264644227 1322764734 /nfs/dbraw/zinc/76/47/34/1322764734.db2.gz RAYNJXBXOSKACV-CEXWTWQISA-N 2 1 331.504 2.075 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001264685595 1322784055 /nfs/dbraw/zinc/78/40/55/1322784055.db2.gz MDUHQJKUFDYOST-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001264685595 1322784060 /nfs/dbraw/zinc/78/40/60/1322784060.db2.gz MDUHQJKUFDYOST-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001264747117 1322801176 /nfs/dbraw/zinc/80/11/76/1322801176.db2.gz QFINAVDAUUGATL-OAHLLOKOSA-N 2 1 348.516 2.178 10 30 EEEEMP C=C(Cl)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265167144 1322961738 /nfs/dbraw/zinc/96/17/38/1322961738.db2.gz FXMHKDLZFKEVOQ-UHFFFAOYSA-N 2 1 325.884 2.338 10 30 EEEEMP C=C(Cl)C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265167144 1322961739 /nfs/dbraw/zinc/96/17/39/1322961739.db2.gz FXMHKDLZFKEVOQ-UHFFFAOYSA-N 2 1 325.884 2.338 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265565362 1323222544 /nfs/dbraw/zinc/22/25/44/1323222544.db2.gz OABBRJXBQXAVBF-HDICACEKSA-N 2 1 347.890 2.270 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074629 1323630352 /nfs/dbraw/zinc/63/03/52/1323630352.db2.gz CAFKOOBFXZGZNT-VQTJNVASSA-N 2 1 341.499 2.397 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001276624847 1324861160 /nfs/dbraw/zinc/86/11/60/1324861160.db2.gz NAWLDZGMSUOGRI-IBGZPJMESA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001276624847 1324861164 /nfs/dbraw/zinc/86/11/64/1324861164.db2.gz NAWLDZGMSUOGRI-IBGZPJMESA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001276624847 1324861169 /nfs/dbraw/zinc/86/11/69/1324861169.db2.gz NAWLDZGMSUOGRI-IBGZPJMESA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001276624847 1324861175 /nfs/dbraw/zinc/86/11/75/1324861175.db2.gz NAWLDZGMSUOGRI-IBGZPJMESA-N 2 1 341.499 2.205 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001283922964 1326321355 /nfs/dbraw/zinc/32/13/55/1326321355.db2.gz LVUWTTYDAVAANV-CRAIPNDOSA-N 2 1 339.443 2.426 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491964720 1330359363 /nfs/dbraw/zinc/35/93/63/1330359363.db2.gz AMCKEKHQWBLYRS-HXUWFJFHSA-N 2 1 339.483 2.057 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128393 1330981259 /nfs/dbraw/zinc/98/12/59/1330981259.db2.gz RXTVCOGDNWVYJA-RDJZCZTQSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC/C=C/CC)CC[C@@H]2C1 ZINC001316754314 1331873881 /nfs/dbraw/zinc/87/38/81/1331873881.db2.gz MCXISNANKDEZLK-UOUNDWCUSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC/C=C/CC)CC[C@@H]2C1 ZINC001316754314 1331873885 /nfs/dbraw/zinc/87/38/85/1331873885.db2.gz MCXISNANKDEZLK-UOUNDWCUSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C/CC)CC[C@@H]2C1 ZINC001316754314 1331873887 /nfs/dbraw/zinc/87/38/87/1331873887.db2.gz MCXISNANKDEZLK-UOUNDWCUSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C/CC)CC[C@@H]2C1 ZINC001316754314 1331873890 /nfs/dbraw/zinc/87/38/90/1331873890.db2.gz MCXISNANKDEZLK-UOUNDWCUSA-N 2 1 343.515 2.221 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001317292737 1332167150 /nfs/dbraw/zinc/16/71/50/1332167150.db2.gz CAZNCEQEMPJEKF-GHTZIAJQSA-N 2 1 349.478 2.435 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317789766 1332410248 /nfs/dbraw/zinc/41/02/48/1332410248.db2.gz QPNKCNRIKBVZNQ-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317789766 1332410249 /nfs/dbraw/zinc/41/02/49/1332410249.db2.gz QPNKCNRIKBVZNQ-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001317789766 1332410251 /nfs/dbraw/zinc/41/02/51/1332410251.db2.gz QPNKCNRIKBVZNQ-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001317789766 1332410255 /nfs/dbraw/zinc/41/02/55/1332410255.db2.gz QPNKCNRIKBVZNQ-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810147 1332416177 /nfs/dbraw/zinc/41/61/77/1332416177.db2.gz YKBZICGTCPZMHV-WOJBJXKFSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001319592021 1332725832 /nfs/dbraw/zinc/72/58/32/1332725832.db2.gz GJZLZKZFOLSBRA-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001319881626 1332791467 /nfs/dbraw/zinc/79/14/67/1332791467.db2.gz SFFLJYMADVILTL-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001319881626 1332791470 /nfs/dbraw/zinc/79/14/70/1332791470.db2.gz SFFLJYMADVILTL-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001319881626 1332791473 /nfs/dbraw/zinc/79/14/73/1332791473.db2.gz SFFLJYMADVILTL-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001319881626 1332791475 /nfs/dbraw/zinc/79/14/75/1332791475.db2.gz SFFLJYMADVILTL-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320465571 1332891170 /nfs/dbraw/zinc/89/11/70/1332891170.db2.gz ZFAZAQAIDWFPRE-CJNGLKHVSA-N 2 1 334.489 2.088 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)ccc1F ZINC001320756382 1332946717 /nfs/dbraw/zinc/94/67/17/1332946717.db2.gz WDOPVCUJWQORKS-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321321916 1333073930 /nfs/dbraw/zinc/07/39/30/1333073930.db2.gz JJXXGBSGHMXWPL-SNAWJCMRSA-N 2 1 347.890 2.295 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1CC ZINC001325366217 1333873135 /nfs/dbraw/zinc/87/31/35/1333873135.db2.gz LMHPSEWTVKAMNH-FQEVSTJZSA-N 2 1 341.499 2.361 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174127 1334240531 /nfs/dbraw/zinc/24/05/31/1334240531.db2.gz XFHSVQDTIPNFGL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174127 1334240535 /nfs/dbraw/zinc/24/05/35/1334240535.db2.gz XFHSVQDTIPNFGL-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001327991351 1334375207 /nfs/dbraw/zinc/37/52/07/1334375207.db2.gz VCLWEBIURXHFFP-MRXNPFEDSA-N 2 1 330.476 2.391 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001331456190 1335017054 /nfs/dbraw/zinc/01/70/54/1335017054.db2.gz SJJMVWKPGRNNCF-YZGWKJHDSA-N 2 1 341.499 2.205 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114812 1335732976 /nfs/dbraw/zinc/73/29/76/1335732976.db2.gz APMUSQHNOHJEKP-CTNGQTDRSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114812 1335732978 /nfs/dbraw/zinc/73/29/78/1335732978.db2.gz APMUSQHNOHJEKP-CTNGQTDRSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114812 1335732980 /nfs/dbraw/zinc/73/29/80/1335732980.db2.gz APMUSQHNOHJEKP-CTNGQTDRSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114812 1335732982 /nfs/dbraw/zinc/73/29/82/1335732982.db2.gz APMUSQHNOHJEKP-CTNGQTDRSA-N 2 1 339.483 2.255 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001340567610 1337207760 /nfs/dbraw/zinc/20/77/60/1337207760.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 2 1 346.523 2.194 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001340567610 1337207764 /nfs/dbraw/zinc/20/77/64/1337207764.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 2 1 346.523 2.194 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001340567610 1337207766 /nfs/dbraw/zinc/20/77/66/1337207766.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 2 1 346.523 2.194 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676017867 1357088835 /nfs/dbraw/zinc/08/88/35/1357088835.db2.gz CXXBFCFAZVQAQH-GOEBONIOSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC=C(C)C)C2)CC1 ZINC001567740909 1342829846 /nfs/dbraw/zinc/82/98/46/1342829846.db2.gz GQJJXCDPROZPKV-GOSISDBHSA-N 2 1 331.504 2.078 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478089 1342882001 /nfs/dbraw/zinc/88/20/01/1342882001.db2.gz QCDUTOXQXKCSSX-APWZRJJASA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478089 1342882005 /nfs/dbraw/zinc/88/20/05/1342882005.db2.gz QCDUTOXQXKCSSX-APWZRJJASA-N 2 1 330.476 2.471 10 30 EEEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001676989988 1357256036 /nfs/dbraw/zinc/25/60/36/1357256036.db2.gz KEDBIKHXUHYPRN-DLBZAZTESA-N 2 1 339.524 2.114 10 30 EEEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001676989988 1357256039 /nfs/dbraw/zinc/25/60/39/1357256039.db2.gz KEDBIKHXUHYPRN-DLBZAZTESA-N 2 1 339.524 2.114 10 30 EEEEMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC001655627390 1354180608 /nfs/dbraw/zinc/18/06/08/1354180608.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC001655627390 1354180611 /nfs/dbraw/zinc/18/06/11/1354180611.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC001655627390 1354180612 /nfs/dbraw/zinc/18/06/12/1354180612.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001662244309 1354767797 /nfs/dbraw/zinc/76/77/97/1354767797.db2.gz IUCXDOBCNZNKRE-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001662244309 1354767801 /nfs/dbraw/zinc/76/78/01/1354767801.db2.gz IUCXDOBCNZNKRE-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662635093 1354816562 /nfs/dbraw/zinc/81/65/62/1354816562.db2.gz IQMCQUGNUYQEJE-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662635093 1354816568 /nfs/dbraw/zinc/81/65/68/1354816568.db2.gz IQMCQUGNUYQEJE-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001664446423 1355166271 /nfs/dbraw/zinc/16/62/71/1355166271.db2.gz BFFQWMIGPAVNGW-AWEZNQCLSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CC[NH2+]C[C@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@@H]1C ZINC001666054611 1355433542 /nfs/dbraw/zinc/43/35/42/1355433542.db2.gz CINSBGSIKFVMKU-KBXCAEBGSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001671892287 1356432808 /nfs/dbraw/zinc/43/28/08/1356432808.db2.gz MLYPEFBQXPGNRT-FQEVSTJZSA-N 2 1 338.455 2.498 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671908126 1356436703 /nfs/dbraw/zinc/43/67/03/1356436703.db2.gz PDLLMJOBHIAHQE-UYAOXDASSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001698840591 1405101781 /nfs/dbraw/zinc/10/17/81/1405101781.db2.gz MOBFFDXCQBVRTR-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001698917534 1405160439 /nfs/dbraw/zinc/16/04/39/1405160439.db2.gz JCRYOTVMTDOAQA-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001699103834 1405256409 /nfs/dbraw/zinc/25/64/09/1405256409.db2.gz ABELGYUFGABVET-PBHICJAKSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001699103834 1405256416 /nfs/dbraw/zinc/25/64/16/1405256416.db2.gz ABELGYUFGABVET-PBHICJAKSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075219 779794930 /nfs/dbraw/zinc/79/49/30/779794930.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075219 779794936 /nfs/dbraw/zinc/79/49/36/779794936.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075219 779794940 /nfs/dbraw/zinc/79/49/40/779794940.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158488 780002724 /nfs/dbraw/zinc/00/27/24/780002724.db2.gz PKTZXRUWYSHYRD-LJQANCHMSA-N 2 1 345.531 2.348 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566002266 1125496318 /nfs/dbraw/zinc/49/63/18/1125496318.db2.gz VNBIZNBJYQDMAH-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566002266 1125496322 /nfs/dbraw/zinc/49/63/22/1125496322.db2.gz VNBIZNBJYQDMAH-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566002266 1125496327 /nfs/dbraw/zinc/49/63/27/1125496327.db2.gz VNBIZNBJYQDMAH-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566002266 1125496330 /nfs/dbraw/zinc/49/63/30/1125496330.db2.gz VNBIZNBJYQDMAH-RTBURBONSA-N 2 1 345.462 2.073 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321078 1089482690 /nfs/dbraw/zinc/48/26/90/1089482690.db2.gz IZGNOQUESIXUCL-MOPGFXCFSA-N 2 1 342.487 2.415 10 30 EEEEMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001437601294 1090111924 /nfs/dbraw/zinc/11/19/24/1090111924.db2.gz GTRZDZNDSSHKCR-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001437601294 1090111930 /nfs/dbraw/zinc/11/19/30/1090111930.db2.gz GTRZDZNDSSHKCR-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001437601294 1090111936 /nfs/dbraw/zinc/11/19/36/1090111936.db2.gz GTRZDZNDSSHKCR-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001438663353 1091152198 /nfs/dbraw/zinc/15/21/98/1091152198.db2.gz JLSYZABCNLBFCT-HUUCEWRRSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001440380430 1093550080 /nfs/dbraw/zinc/55/00/80/1093550080.db2.gz BPYLHNSTTGDNBC-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001495963198 1101840704 /nfs/dbraw/zinc/84/07/04/1101840704.db2.gz FATOPHONNATRQA-DLBZAZTESA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001495963198 1101840721 /nfs/dbraw/zinc/84/07/21/1101840721.db2.gz FATOPHONNATRQA-DLBZAZTESA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001493829169 1108711029 /nfs/dbraw/zinc/71/10/29/1108711029.db2.gz DWECJHXLCQAEMT-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001493829169 1108711037 /nfs/dbraw/zinc/71/10/37/1108711037.db2.gz DWECJHXLCQAEMT-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615833 1112413123 /nfs/dbraw/zinc/41/31/23/1112413123.db2.gz IOCAYOBQMYMFEF-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001500428610 1112824671 /nfs/dbraw/zinc/82/46/71/1112824671.db2.gz KVSQYJLYJVXPJZ-IRXDYDNUSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001500428610 1112824675 /nfs/dbraw/zinc/82/46/75/1112824675.db2.gz KVSQYJLYJVXPJZ-IRXDYDNUSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001501578721 1113389167 /nfs/dbraw/zinc/38/91/67/1113389167.db2.gz NWKWYHUKKGTFBO-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC/C=C/CC)C1 ZINC001501578721 1113389171 /nfs/dbraw/zinc/38/91/71/1113389171.db2.gz NWKWYHUKKGTFBO-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001506861656 1114927747 /nfs/dbraw/zinc/92/77/47/1114927747.db2.gz WGMRPFPIWVDVEI-HRCADAONSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CC2CCC2)C(C)C)CC1 ZINC001507861740 1115360462 /nfs/dbraw/zinc/36/04/62/1115360462.db2.gz FQMSDRKSCVRICD-UHFFFAOYSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001508140126 1115426206 /nfs/dbraw/zinc/42/62/06/1115426206.db2.gz FITGRQWTTGZTGA-CTWPCTMYSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568329412 1124421801 /nfs/dbraw/zinc/42/18/01/1124421801.db2.gz XPWGXDZDXBEPFE-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518947 1124583270 /nfs/dbraw/zinc/58/32/70/1124583270.db2.gz MMAQUNFOOGQPNV-UXHICEINSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518947 1124583277 /nfs/dbraw/zinc/58/32/77/1124583277.db2.gz MMAQUNFOOGQPNV-UXHICEINSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518947 1124583285 /nfs/dbraw/zinc/58/32/85/1124583285.db2.gz MMAQUNFOOGQPNV-UXHICEINSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518947 1124583290 /nfs/dbraw/zinc/58/32/90/1124583290.db2.gz MMAQUNFOOGQPNV-UXHICEINSA-N 2 1 339.483 2.065 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147222 1125128643 /nfs/dbraw/zinc/12/86/43/1125128643.db2.gz UBVJEOXZFKTTPH-APWZRJJASA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147222 1125128650 /nfs/dbraw/zinc/12/86/50/1125128650.db2.gz UBVJEOXZFKTTPH-APWZRJJASA-N 2 1 347.478 2.200 10 30 EEEEMP CC[C@@H](O)[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272051 /nfs/dbraw/zinc/27/20/51/465272051.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272057 /nfs/dbraw/zinc/27/20/57/465272057.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272062 /nfs/dbraw/zinc/27/20/62/465272062.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000262468545 686198730 /nfs/dbraw/zinc/19/87/30/686198730.db2.gz OEFIMUNCJAYLQJ-YCPHGPKFSA-N 2 1 336.505 2.166 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001485557419 1191835482 /nfs/dbraw/zinc/83/54/82/1191835482.db2.gz ALVWVHOTVRRTNK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557419 1191835484 /nfs/dbraw/zinc/83/54/84/1191835484.db2.gz ALVWVHOTVRRTNK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557419 1191835486 /nfs/dbraw/zinc/83/54/86/1191835486.db2.gz ALVWVHOTVRRTNK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001266390241 1176463078 /nfs/dbraw/zinc/46/30/78/1176463078.db2.gz PPEYKKKBQLLACJ-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001691796459 1176866356 /nfs/dbraw/zinc/86/63/56/1176866356.db2.gz IMHFDERNDBRZKP-RBUKOAKNSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691796459 1176866365 /nfs/dbraw/zinc/86/63/65/1176866365.db2.gz IMHFDERNDBRZKP-RBUKOAKNSA-N 2 1 327.472 2.330 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892479 1177730801 /nfs/dbraw/zinc/73/08/01/1177730801.db2.gz VWDUWLCSLOLKOM-CVEARBPZSA-N 2 1 331.460 2.426 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427882 1178314439 /nfs/dbraw/zinc/31/44/39/1178314439.db2.gz GLXFZYXQGNMJPC-NEWSRXKRSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001267584847 1179544740 /nfs/dbraw/zinc/54/47/40/1179544740.db2.gz JSYBUNCQWGLSNW-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001267584847 1179544743 /nfs/dbraw/zinc/54/47/43/1179544743.db2.gz JSYBUNCQWGLSNW-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001267584847 1179544746 /nfs/dbraw/zinc/54/47/46/1179544746.db2.gz JSYBUNCQWGLSNW-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001267584847 1179544749 /nfs/dbraw/zinc/54/47/49/1179544749.db2.gz JSYBUNCQWGLSNW-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585900 1179549251 /nfs/dbraw/zinc/54/92/51/1179549251.db2.gz FQFNNMAHNZIHFD-OAHLLOKOSA-N 2 1 334.464 2.096 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585900 1179549254 /nfs/dbraw/zinc/54/92/54/1179549254.db2.gz FQFNNMAHNZIHFD-OAHLLOKOSA-N 2 1 334.464 2.096 10 30 EEEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001481147858 1179919014 /nfs/dbraw/zinc/91/90/14/1179919014.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001481147858 1179919019 /nfs/dbraw/zinc/91/90/19/1179919019.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001481147858 1179919024 /nfs/dbraw/zinc/91/90/24/1179919024.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268544039 1183217203 /nfs/dbraw/zinc/21/72/03/1183217203.db2.gz YRJCEIPGWJATNC-VOFKWLDRSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268544039 1183217206 /nfs/dbraw/zinc/21/72/06/1183217206.db2.gz YRJCEIPGWJATNC-VOFKWLDRSA-N 2 1 340.471 2.193 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001268725787 1183645086 /nfs/dbraw/zinc/64/50/86/1183645086.db2.gz OSXCIBZMJQMKFU-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001268725787 1183645087 /nfs/dbraw/zinc/64/50/87/1183645087.db2.gz OSXCIBZMJQMKFU-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268725787 1183645088 /nfs/dbraw/zinc/64/50/88/1183645088.db2.gz OSXCIBZMJQMKFU-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268725787 1183645089 /nfs/dbraw/zinc/64/50/89/1183645089.db2.gz OSXCIBZMJQMKFU-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376653 1183887231 /nfs/dbraw/zinc/88/72/31/1183887231.db2.gz WSQPEVXTDLMRCK-ZIAGYGMSSA-N 2 1 335.414 2.129 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701630 1185328194 /nfs/dbraw/zinc/32/81/94/1185328194.db2.gz WIKQWTJFDFEBEP-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001482531060 1186523588 /nfs/dbraw/zinc/52/35/88/1186523588.db2.gz IZZCVLPYBHERLY-MJGOQNOKSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019921 1188007305 /nfs/dbraw/zinc/00/73/05/1188007305.db2.gz RDMFHEPDYDSYLS-IQHLRMOPSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019921 1188007308 /nfs/dbraw/zinc/00/73/08/1188007308.db2.gz RDMFHEPDYDSYLS-IQHLRMOPSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001483443389 1190482278 /nfs/dbraw/zinc/48/22/78/1190482278.db2.gz QADLBUYYBDTYIY-IAGOWNOFSA-N 2 1 330.476 2.294 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001486143656 1193695761 /nfs/dbraw/zinc/69/57/61/1193695761.db2.gz CALNCQFTVRKMOV-TZIWHRDSSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001272535566 1190870581 /nfs/dbraw/zinc/87/05/81/1190870581.db2.gz XSTBKLQSIZYQSW-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001272599168 1190913735 /nfs/dbraw/zinc/91/37/35/1190913735.db2.gz PJPGIHQHLCUIMQ-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001483817493 1191045789 /nfs/dbraw/zinc/04/57/89/1191045789.db2.gz OHDPDKAODTYSRD-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001484862819 1191554642 /nfs/dbraw/zinc/55/46/42/1191554642.db2.gz RNQXIIKLVIIEFK-QGZVFWFLSA-N 2 1 337.508 2.080 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001484982845 1191600866 /nfs/dbraw/zinc/60/08/66/1191600866.db2.gz NWEYACHNWRMWDO-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001484982845 1191600867 /nfs/dbraw/zinc/60/08/67/1191600867.db2.gz NWEYACHNWRMWDO-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001484993836 1191609483 /nfs/dbraw/zinc/60/94/83/1191609483.db2.gz LRGMEUXMTGGYCG-LNLFQRSKSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001484993836 1191609484 /nfs/dbraw/zinc/60/94/84/1191609484.db2.gz LRGMEUXMTGGYCG-LNLFQRSKSA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485079363 1191641359 /nfs/dbraw/zinc/64/13/59/1191641359.db2.gz XEVHZZIQPHPNJN-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389268 1191776108 /nfs/dbraw/zinc/77/61/08/1191776108.db2.gz RZSYCIBXSXHARZ-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389268 1191776110 /nfs/dbraw/zinc/77/61/10/1191776110.db2.gz RZSYCIBXSXHARZ-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001485389268 1191776113 /nfs/dbraw/zinc/77/61/13/1191776113.db2.gz RZSYCIBXSXHARZ-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001485389268 1191776116 /nfs/dbraw/zinc/77/61/16/1191776116.db2.gz RZSYCIBXSXHARZ-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001485512275 1191815725 /nfs/dbraw/zinc/81/57/25/1191815725.db2.gz MUGMGLXKSFFWOU-KGLIPLIRSA-N 2 1 334.464 2.141 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410949451 1198614940 /nfs/dbraw/zinc/61/49/40/1198614940.db2.gz FXOQPXGUIKDSNR-KBPBESRZSA-N 2 1 346.313 2.110 10 30 EEEEMP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001275704021 1205491000 /nfs/dbraw/zinc/49/10/00/1205491000.db2.gz HXWRHZNJQSGLSQ-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCc1ccsc1 ZINC001275849947 1205565256 /nfs/dbraw/zinc/56/52/56/1205565256.db2.gz KGMGWWDEOQVIPG-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCc1ccsc1 ZINC001275849947 1205565257 /nfs/dbraw/zinc/56/52/57/1205565257.db2.gz KGMGWWDEOQVIPG-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCc1ccsc1 ZINC001275849947 1205565258 /nfs/dbraw/zinc/56/52/58/1205565258.db2.gz KGMGWWDEOQVIPG-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCc1ccsc1 ZINC001275849947 1205565259 /nfs/dbraw/zinc/56/52/59/1205565259.db2.gz KGMGWWDEOQVIPG-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C[NH+](C)CC1(O)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000931479390 1207392000 /nfs/dbraw/zinc/39/20/00/1207392000.db2.gz PPAHWUATORESDK-UHFFFAOYSA-N 2 1 340.389 2.445 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691734531 1210175542 /nfs/dbraw/zinc/17/55/42/1210175542.db2.gz XXBSTYOZRIRGGT-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297239 1258914562 /nfs/dbraw/zinc/91/45/62/1258914562.db2.gz HHWOFTYRKJBOKY-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297239 1258914572 /nfs/dbraw/zinc/91/45/72/1258914572.db2.gz HHWOFTYRKJBOKY-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001489147373 1290407616 /nfs/dbraw/zinc/40/76/16/1290407616.db2.gz KMAVYCFQGIGMTH-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001489147373 1290407624 /nfs/dbraw/zinc/40/76/24/1290407624.db2.gz KMAVYCFQGIGMTH-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001490681060 1291562968 /nfs/dbraw/zinc/56/29/68/1291562968.db2.gz KGVIBIUSRSAPTD-CVEARBPZSA-N 2 1 327.900 2.344 10 30 EEEEMP COCC#CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604038 1293578955 /nfs/dbraw/zinc/57/89/55/1293578955.db2.gz RXGSQYQQBGXLMI-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP COCC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604038 1293578963 /nfs/dbraw/zinc/57/89/63/1293578963.db2.gz RXGSQYQQBGXLMI-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP COCC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604038 1293578966 /nfs/dbraw/zinc/57/89/66/1293578966.db2.gz RXGSQYQQBGXLMI-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001277368398 1302689090 /nfs/dbraw/zinc/68/90/90/1302689090.db2.gz IMWWEINPKHBXQI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001277368398 1302689099 /nfs/dbraw/zinc/68/90/99/1302689099.db2.gz IMWWEINPKHBXQI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001277368398 1302689110 /nfs/dbraw/zinc/68/91/10/1302689110.db2.gz IMWWEINPKHBXQI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001277368398 1302689124 /nfs/dbraw/zinc/68/91/24/1302689124.db2.gz IMWWEINPKHBXQI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558148 1303520152 /nfs/dbraw/zinc/52/01/52/1303520152.db2.gz IWCTVVKLLARZRY-GJZGRUSLSA-N 2 1 348.516 2.336 10 30 EEEEMP C#CCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](CC(=C)C)CC1 ZINC001278188710 1306226828 /nfs/dbraw/zinc/22/68/28/1306226828.db2.gz SSRPFBJIOKMFOC-UHFFFAOYSA-N 2 1 342.487 2.474 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCCCCF)CC1 ZINC001278200548 1306284279 /nfs/dbraw/zinc/28/42/79/1306284279.db2.gz MOQLYKYUALVRMX-UHFFFAOYSA-N 2 1 348.466 2.258 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001278519986 1317126755 /nfs/dbraw/zinc/12/67/55/1317126755.db2.gz BCLFHVZXUREFEU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC#Cc1ccccc1 ZINC001278519986 1317126761 /nfs/dbraw/zinc/12/67/61/1317126761.db2.gz BCLFHVZXUREFEU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278748194 1317958715 /nfs/dbraw/zinc/95/87/15/1317958715.db2.gz XTUUQRZOKIXEHA-HNNXBMFYSA-N 2 1 340.418 2.231 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278748194 1317958719 /nfs/dbraw/zinc/95/87/19/1317958719.db2.gz XTUUQRZOKIXEHA-HNNXBMFYSA-N 2 1 340.418 2.231 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001263919214 1322554053 /nfs/dbraw/zinc/55/40/53/1322554053.db2.gz KGLXNBWFJHSNBU-VQTJNVASSA-N 2 1 341.499 2.059 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102913 1323668063 /nfs/dbraw/zinc/66/80/63/1323668063.db2.gz NIWQANQKIYUOQF-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266102913 1323668067 /nfs/dbraw/zinc/66/80/67/1323668067.db2.gz NIWQANQKIYUOQF-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266102913 1323668073 /nfs/dbraw/zinc/66/80/73/1323668073.db2.gz NIWQANQKIYUOQF-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001281881018 1325497979 /nfs/dbraw/zinc/49/79/79/1325497979.db2.gz DKQVOSRSLQDFPO-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001281967520 1325541305 /nfs/dbraw/zinc/54/13/05/1325541305.db2.gz HUNDBVNCUGAQRX-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831783 1325800153 /nfs/dbraw/zinc/80/01/53/1325800153.db2.gz CKWAREBZBGVZPU-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831783 1325800155 /nfs/dbraw/zinc/80/01/55/1325800155.db2.gz CKWAREBZBGVZPU-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001316806581 1331904026 /nfs/dbraw/zinc/90/40/26/1331904026.db2.gz XBFYEYANZHOBTN-CQSZACIVSA-N 2 1 348.516 2.035 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001316806581 1331904027 /nfs/dbraw/zinc/90/40/27/1331904027.db2.gz XBFYEYANZHOBTN-CQSZACIVSA-N 2 1 348.516 2.035 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840836 1332427831 /nfs/dbraw/zinc/42/78/31/1332427831.db2.gz VZRRRACDGNWCMI-CRAIPNDOSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840836 1332427834 /nfs/dbraw/zinc/42/78/34/1332427834.db2.gz VZRRRACDGNWCMI-CRAIPNDOSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317840836 1332427836 /nfs/dbraw/zinc/42/78/36/1332427836.db2.gz VZRRRACDGNWCMI-CRAIPNDOSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317840836 1332427841 /nfs/dbraw/zinc/42/78/41/1332427841.db2.gz VZRRRACDGNWCMI-CRAIPNDOSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854609 1332432708 /nfs/dbraw/zinc/43/27/08/1332432708.db2.gz QMEDFUSTGBLYGF-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854609 1332432709 /nfs/dbraw/zinc/43/27/09/1332432709.db2.gz QMEDFUSTGBLYGF-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318257607 1332497974 /nfs/dbraw/zinc/49/79/74/1332497974.db2.gz PUUDHDUXNCWZIA-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318257607 1332497977 /nfs/dbraw/zinc/49/79/77/1332497977.db2.gz PUUDHDUXNCWZIA-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001318257607 1332497979 /nfs/dbraw/zinc/49/79/79/1332497979.db2.gz PUUDHDUXNCWZIA-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001318257607 1332497982 /nfs/dbraw/zinc/49/79/82/1332497982.db2.gz PUUDHDUXNCWZIA-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319197615 1332663835 /nfs/dbraw/zinc/66/38/35/1332663835.db2.gz QBIFTIKEMBPBTO-WUOGDMFISA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319197615 1332663840 /nfs/dbraw/zinc/66/38/40/1332663840.db2.gz QBIFTIKEMBPBTO-WUOGDMFISA-N 2 1 339.483 2.139 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320550506 1332908272 /nfs/dbraw/zinc/90/82/72/1332908272.db2.gz XOJFSNFHMOYPES-HUUCEWRRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001323066505 1333379439 /nfs/dbraw/zinc/37/94/39/1333379439.db2.gz YGGODHRSLREDJH-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CCF)CC1 ZINC001324442255 1333685420 /nfs/dbraw/zinc/68/54/20/1333685420.db2.gz XXMAHOOICMFKFS-UHFFFAOYSA-N 2 1 337.483 2.148 10 30 EEEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001324645193 1333730037 /nfs/dbraw/zinc/73/00/37/1333730037.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645193 1333730040 /nfs/dbraw/zinc/73/00/40/1333730040.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645193 1333730042 /nfs/dbraw/zinc/73/00/42/1333730042.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001324786822 1333760031 /nfs/dbraw/zinc/76/00/31/1333760031.db2.gz AZBAGRFSBFRKPC-NRFANRHFSA-N 2 1 341.499 2.012 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325054768 1333819726 /nfs/dbraw/zinc/81/97/26/1333819726.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325054768 1333819732 /nfs/dbraw/zinc/81/97/32/1333819732.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325054768 1333819734 /nfs/dbraw/zinc/81/97/34/1333819734.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001325945833 1334003823 /nfs/dbraw/zinc/00/38/23/1334003823.db2.gz JWXXFNQRCZPCSX-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001325945833 1334003826 /nfs/dbraw/zinc/00/38/26/1334003826.db2.gz JWXXFNQRCZPCSX-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001325945833 1334003830 /nfs/dbraw/zinc/00/38/30/1334003830.db2.gz JWXXFNQRCZPCSX-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001327501006 1334302866 /nfs/dbraw/zinc/30/28/66/1334302866.db2.gz UDSWUWPQWSZXSE-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440427 1334651881 /nfs/dbraw/zinc/65/18/81/1334651881.db2.gz IAICGJRMYLPUMV-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440427 1334651886 /nfs/dbraw/zinc/65/18/86/1334651886.db2.gz IAICGJRMYLPUMV-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001329440427 1334651891 /nfs/dbraw/zinc/65/18/91/1334651891.db2.gz IAICGJRMYLPUMV-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001329440427 1334651895 /nfs/dbraw/zinc/65/18/95/1334651895.db2.gz IAICGJRMYLPUMV-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP C#CC[N@@H+](CC[C@@H]1CCOC1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001330719883 1334890939 /nfs/dbraw/zinc/89/09/39/1334890939.db2.gz FXSQKVFLUKBWCQ-RBUKOAKNSA-N 2 1 334.504 2.239 10 30 EEEEMP C=CCn1c(CN2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001339084093 1336956398 /nfs/dbraw/zinc/95/63/98/1336956398.db2.gz YKEHKBUCKUNMMP-UHFFFAOYSA-N 2 1 346.523 2.371 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001480323945 1337998275 /nfs/dbraw/zinc/99/82/75/1337998275.db2.gz MWDVAMQRFHFKBM-AWEZNQCLSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001480323945 1337998278 /nfs/dbraw/zinc/99/82/78/1337998278.db2.gz MWDVAMQRFHFKBM-AWEZNQCLSA-N 2 1 334.489 2.042 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001502546148 1342208750 /nfs/dbraw/zinc/20/87/50/1342208750.db2.gz PGIXPTYLIJYQKN-KRWDZBQOSA-N 2 1 327.900 2.395 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001570660859 1343098266 /nfs/dbraw/zinc/09/82/66/1343098266.db2.gz ANCNPQXMJTUOKA-CTWPCTMYSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570667408 1343099221 /nfs/dbraw/zinc/09/92/21/1343099221.db2.gz HIKQSAADSOCSFZ-CTWPCTMYSA-N 2 1 327.472 2.282 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001676669932 1357178428 /nfs/dbraw/zinc/17/84/28/1357178428.db2.gz ZCUJZVCCIJIJMG-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621446 1357375025 /nfs/dbraw/zinc/37/50/25/1357375025.db2.gz QNCZFDAQEOUUIP-RTBURBONSA-N 2 1 349.519 2.058 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001660464777 1354468564 /nfs/dbraw/zinc/46/85/64/1354468564.db2.gz LVHXHDSDRDOZFC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC/C=C/CC)C1 ZINC001661724537 1354681521 /nfs/dbraw/zinc/68/15/21/1354681521.db2.gz WGBSEEWJRCUEBE-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001661724537 1354681523 /nfs/dbraw/zinc/68/15/23/1354681523.db2.gz WGBSEEWJRCUEBE-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C/CC)C1 ZINC001661724537 1354681527 /nfs/dbraw/zinc/68/15/27/1354681527.db2.gz WGBSEEWJRCUEBE-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC/C=C/CC)C1 ZINC001661724537 1354681529 /nfs/dbraw/zinc/68/15/29/1354681529.db2.gz WGBSEEWJRCUEBE-WLMAVBAVSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877356 1354871483 /nfs/dbraw/zinc/87/14/83/1354871483.db2.gz CMMNMUJWSCJDNK-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877356 1354871489 /nfs/dbraw/zinc/87/14/89/1354871489.db2.gz CMMNMUJWSCJDNK-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765873 1355384405 /nfs/dbraw/zinc/38/44/05/1355384405.db2.gz PHHSHXIIFOOAGD-ZWKOTPCHSA-N 2 1 347.890 2.270 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001671684264 1356393293 /nfs/dbraw/zinc/39/32/93/1356393293.db2.gz MJUNZIBOEHKSIV-HXUWFJFHSA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001671684264 1356393298 /nfs/dbraw/zinc/39/32/98/1356393298.db2.gz MJUNZIBOEHKSIV-HXUWFJFHSA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001673230706 1356655881 /nfs/dbraw/zinc/65/58/81/1356655881.db2.gz WURIOSNSGVMZCZ-UHFFFAOYSA-N 2 1 327.472 2.008 10 30 EEEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001673439275 1356691462 /nfs/dbraw/zinc/69/14/62/1356691462.db2.gz NECCVCIJQZFEFR-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001673439275 1356691466 /nfs/dbraw/zinc/69/14/66/1356691466.db2.gz NECCVCIJQZFEFR-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001673439275 1356691472 /nfs/dbraw/zinc/69/14/72/1356691472.db2.gz NECCVCIJQZFEFR-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001673439275 1356691474 /nfs/dbraw/zinc/69/14/74/1356691474.db2.gz NECCVCIJQZFEFR-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001674271597 1356810122 /nfs/dbraw/zinc/81/01/22/1356810122.db2.gz LGMZTKDFRVHNLN-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001674271597 1356810127 /nfs/dbraw/zinc/81/01/27/1356810127.db2.gz LGMZTKDFRVHNLN-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001674271597 1356810132 /nfs/dbraw/zinc/81/01/32/1356810132.db2.gz LGMZTKDFRVHNLN-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001674271597 1356810136 /nfs/dbraw/zinc/81/01/36/1356810136.db2.gz LGMZTKDFRVHNLN-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001674352730 1356823340 /nfs/dbraw/zinc/82/33/40/1356823340.db2.gz HWEFXCHIBCVPOG-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001698893609 1405136062 /nfs/dbraw/zinc/13/60/62/1405136062.db2.gz ONVVTLHKABJVNQ-YJBOKZPZSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857717 779445376 /nfs/dbraw/zinc/44/53/76/779445376.db2.gz BNJYRWOJYXTXNW-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857717 779445377 /nfs/dbraw/zinc/44/53/77/779445377.db2.gz BNJYRWOJYXTXNW-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857717 779445381 /nfs/dbraw/zinc/44/53/81/779445381.db2.gz BNJYRWOJYXTXNW-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000923294639 789326587 /nfs/dbraw/zinc/32/65/87/789326587.db2.gz KZFTZOUIZHQVFL-QGZVFWFLSA-N 2 1 346.519 2.132 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001565972465 1125478296 /nfs/dbraw/zinc/47/82/96/1125478296.db2.gz CZLLXIAPZUZLST-PVAVHDDUSA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001566004557 1125496033 /nfs/dbraw/zinc/49/60/33/1125496033.db2.gz NQAUYMYJCFMBFC-SFHVURJKSA-N 2 1 344.503 2.386 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001437163548 1089177730 /nfs/dbraw/zinc/17/77/30/1089177730.db2.gz NAXYLGCVDPDIGU-KGLIPLIRSA-N 2 1 346.313 2.110 10 30 EEEEMP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001439696982 1092648309 /nfs/dbraw/zinc/64/83/09/1092648309.db2.gz ILMUTWQBLBJBIL-KDURUIRLSA-N 2 1 340.471 2.075 10 30 EEEEMP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001439696982 1092648326 /nfs/dbraw/zinc/64/83/26/1092648326.db2.gz ILMUTWQBLBJBIL-KDURUIRLSA-N 2 1 340.471 2.075 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440324019 1093465246 /nfs/dbraw/zinc/46/52/46/1093465246.db2.gz YUWYTGJEAXDACZ-WOVMCDHWSA-N 2 1 346.450 2.022 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441144601 1094481883 /nfs/dbraw/zinc/48/18/83/1094481883.db2.gz ZQFLXCSCRYTONO-GJZGRUSLSA-N 2 1 348.516 2.336 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001441341559 1094838619 /nfs/dbraw/zinc/83/86/19/1094838619.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001441341559 1094838633 /nfs/dbraw/zinc/83/86/33/1094838633.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001441341559 1094838647 /nfs/dbraw/zinc/83/86/47/1094838647.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806123 1097187773 /nfs/dbraw/zinc/18/77/73/1097187773.db2.gz DVLKLPBJWIGRLY-CABCVRRESA-N 2 1 346.500 2.042 10 30 EEEEMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806123 1097187779 /nfs/dbraw/zinc/18/77/79/1097187779.db2.gz DVLKLPBJWIGRLY-CABCVRRESA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806123 1097187784 /nfs/dbraw/zinc/18/77/84/1097187784.db2.gz DVLKLPBJWIGRLY-CABCVRRESA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806123 1097187790 /nfs/dbraw/zinc/18/77/90/1097187790.db2.gz DVLKLPBJWIGRLY-CABCVRRESA-N 2 1 346.500 2.042 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001493967725 1103219665 /nfs/dbraw/zinc/21/96/65/1103219665.db2.gz DQGVJPZXCXCNTF-LJQANCHMSA-N 2 1 327.472 2.308 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001493967725 1103219677 /nfs/dbraw/zinc/21/96/77/1103219677.db2.gz DQGVJPZXCXCNTF-LJQANCHMSA-N 2 1 327.472 2.308 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001498197697 1107063536 /nfs/dbraw/zinc/06/35/36/1107063536.db2.gz UUXQRUFOEWJFAD-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001480832669 1107228273 /nfs/dbraw/zinc/22/82/73/1107228273.db2.gz DRUXGCVMLIMYQZ-HXUWFJFHSA-N 2 1 345.531 2.493 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001498393249 1107444789 /nfs/dbraw/zinc/44/47/89/1107444789.db2.gz HGMSKTSFTHMYHD-HNNXBMFYSA-N 2 1 335.879 2.080 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001498393249 1107444794 /nfs/dbraw/zinc/44/47/94/1107444794.db2.gz HGMSKTSFTHMYHD-HNNXBMFYSA-N 2 1 335.879 2.080 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498456750 1107565075 /nfs/dbraw/zinc/56/50/75/1107565075.db2.gz KTXAKNHMLZRFQA-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498456750 1107565086 /nfs/dbraw/zinc/56/50/86/1107565086.db2.gz KTXAKNHMLZRFQA-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706307 1108822572 /nfs/dbraw/zinc/82/25/72/1108822572.db2.gz RLHSHMAUDGBVSI-VQTJNVASSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706307 1108822580 /nfs/dbraw/zinc/82/25/80/1108822580.db2.gz RLHSHMAUDGBVSI-VQTJNVASSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001455706307 1108822585 /nfs/dbraw/zinc/82/25/85/1108822585.db2.gz RLHSHMAUDGBVSI-VQTJNVASSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001455706307 1108822593 /nfs/dbraw/zinc/82/25/93/1108822593.db2.gz RLHSHMAUDGBVSI-VQTJNVASSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500054355 1112595132 /nfs/dbraw/zinc/59/51/32/1112595132.db2.gz NGIMRIUJLVZZMP-IAGOWNOFSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001501617890 1113401428 /nfs/dbraw/zinc/40/14/28/1113401428.db2.gz GJELXLAVMJKWKH-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001502471011 1113697262 /nfs/dbraw/zinc/69/72/62/1113697262.db2.gz VTDZMJDNFUTEDG-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001502471011 1113697264 /nfs/dbraw/zinc/69/72/64/1113697264.db2.gz VTDZMJDNFUTEDG-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001502473556 1113697633 /nfs/dbraw/zinc/69/76/33/1113697633.db2.gz RQEKVIPFSAWPES-QZTJIDSGSA-N 2 1 349.519 2.033 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741618 1114853556 /nfs/dbraw/zinc/85/35/56/1114853556.db2.gz IJHPMJPBNLMNCY-JKSUJKDBSA-N 2 1 327.488 2.459 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC/C=C\CC)CC1 ZINC001508206674 1115444087 /nfs/dbraw/zinc/44/40/87/1115444087.db2.gz OJEIPSDPACWCLG-VOFKWLDRSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC/C=C\CC)CC1 ZINC001508206674 1115444089 /nfs/dbraw/zinc/44/40/89/1115444089.db2.gz OJEIPSDPACWCLG-VOFKWLDRSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC/C=C\CC)CC1 ZINC001508206674 1115444091 /nfs/dbraw/zinc/44/40/91/1115444091.db2.gz OJEIPSDPACWCLG-VOFKWLDRSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC/C=C\CC)CC1 ZINC001508206674 1115444094 /nfs/dbraw/zinc/44/40/94/1115444094.db2.gz OJEIPSDPACWCLG-VOFKWLDRSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518950 1124583054 /nfs/dbraw/zinc/58/30/54/1124583054.db2.gz MMAQUNFOOGQPNV-WOJBJXKFSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518950 1124583060 /nfs/dbraw/zinc/58/30/60/1124583060.db2.gz MMAQUNFOOGQPNV-WOJBJXKFSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518950 1124583065 /nfs/dbraw/zinc/58/30/65/1124583065.db2.gz MMAQUNFOOGQPNV-WOJBJXKFSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518950 1124583068 /nfs/dbraw/zinc/58/30/68/1124583068.db2.gz MMAQUNFOOGQPNV-WOJBJXKFSA-N 2 1 339.483 2.065 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001568754738 1124769017 /nfs/dbraw/zinc/76/90/17/1124769017.db2.gz YBNCLQGLSMYVSR-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001569252898 1125196064 /nfs/dbraw/zinc/19/60/64/1125196064.db2.gz PXLGNHOPUDXVDU-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP COc1cc(C#N)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179659059 533495103 /nfs/dbraw/zinc/49/51/03/533495103.db2.gz YOWCMPTZMYYGGH-OAHLLOKOSA-N 2 1 331.460 2.091 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518379 279329529 /nfs/dbraw/zinc/32/95/29/279329529.db2.gz INHGFQDUNHHGNV-HNNXBMFYSA-N 2 1 334.489 2.108 10 30 EEEEMP CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@@H]1CC[N@@H+](CCOC)C1 ZINC000072271833 463492403 /nfs/dbraw/zinc/49/24/03/463492403.db2.gz CHPYBNWEEVYJKO-HKUYNNGSSA-N 2 1 346.519 2.489 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527729859 467664475 /nfs/dbraw/zinc/66/44/75/467664475.db2.gz MOCOABCMISFQEX-GOSISDBHSA-N 2 1 334.508 2.343 10 30 EEEEMP N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482281 467685375 /nfs/dbraw/zinc/68/53/75/467685375.db2.gz CHWLVPNMKIEERL-CEXWTWQISA-N 2 1 325.456 2.105 10 30 EEEEMP N#CC1(C[C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482281 467685380 /nfs/dbraw/zinc/68/53/80/467685380.db2.gz CHWLVPNMKIEERL-CEXWTWQISA-N 2 1 325.456 2.105 10 30 EEEEMP N#CC1(C[C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482281 467685382 /nfs/dbraw/zinc/68/53/82/467685382.db2.gz CHWLVPNMKIEERL-CEXWTWQISA-N 2 1 325.456 2.105 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600718507 468633282 /nfs/dbraw/zinc/63/32/82/468633282.db2.gz XWUDDPLXQBWART-QZTJIDSGSA-N 2 1 337.508 2.302 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247171 1176019679 /nfs/dbraw/zinc/01/96/79/1176019679.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266247171 1176019689 /nfs/dbraw/zinc/01/96/89/1176019689.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266247171 1176019695 /nfs/dbraw/zinc/01/96/95/1176019695.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247171 1176019705 /nfs/dbraw/zinc/01/97/05/1176019705.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247171 1176019715 /nfs/dbraw/zinc/01/97/15/1176019715.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001266252154 1176029275 /nfs/dbraw/zinc/02/92/75/1176029275.db2.gz NYLUMVUTNBYALA-GOSISDBHSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCCF)CC1 ZINC001691075239 1177528816 /nfs/dbraw/zinc/52/88/16/1177528816.db2.gz QJIJMGLNIUYPLM-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001691373625 1177979378 /nfs/dbraw/zinc/97/93/78/1177979378.db2.gz BZFJTSKHRDJRNC-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001267132112 1178302877 /nfs/dbraw/zinc/30/28/77/1178302877.db2.gz LGNGKYWNNHYPMQ-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001267132112 1178302888 /nfs/dbraw/zinc/30/28/88/1178302888.db2.gz LGNGKYWNNHYPMQ-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268192430 1181985783 /nfs/dbraw/zinc/98/57/83/1181985783.db2.gz ONMCZSYJIJRBQR-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268192431 1181985905 /nfs/dbraw/zinc/98/59/05/1181985905.db2.gz ONMCZSYJIJRBQR-WMZOPIPTSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001481979260 1183080163 /nfs/dbraw/zinc/08/01/63/1183080163.db2.gz ZLKIOTUFUDUJJG-DLBZAZTESA-N 2 1 330.476 2.248 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630918 1183556296 /nfs/dbraw/zinc/55/62/96/1183556296.db2.gz SMLLBVJYBWPUPS-PXPVJAHISA-N 2 1 340.471 2.195 10 30 EEEEMP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292781 1184145685 /nfs/dbraw/zinc/14/56/85/1184145685.db2.gz PQXBTLMVJUUBIS-RBUKOAKNSA-N 2 1 345.462 2.050 10 30 EEEEMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292781 1184145688 /nfs/dbraw/zinc/14/56/88/1184145688.db2.gz PQXBTLMVJUUBIS-RBUKOAKNSA-N 2 1 345.462 2.050 10 30 EEEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269472244 1184292152 /nfs/dbraw/zinc/29/21/52/1184292152.db2.gz YFQYFLMIHBPSRF-QRVBRYPASA-N 2 1 329.488 2.392 10 30 EEEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699596 1184529740 /nfs/dbraw/zinc/52/97/40/1184529740.db2.gz FXYPTECDNNMGDR-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699596 1184529744 /nfs/dbraw/zinc/52/97/44/1184529744.db2.gz FXYPTECDNNMGDR-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001270338987 1185029699 /nfs/dbraw/zinc/02/96/99/1185029699.db2.gz YEARMLGQNXTHRE-HKUYNNGSSA-N 2 1 345.531 2.443 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270642670 1185260203 /nfs/dbraw/zinc/26/02/03/1185260203.db2.gz NYTOCVCFUGGZSD-HXUWFJFHSA-N 2 1 345.487 2.145 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001482509373 1186427213 /nfs/dbraw/zinc/42/72/13/1186427213.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001482509373 1186427217 /nfs/dbraw/zinc/42/72/17/1186427217.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001482509373 1186427219 /nfs/dbraw/zinc/42/72/19/1186427219.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001484554499 1191412690 /nfs/dbraw/zinc/41/26/90/1191412690.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001484554499 1191412692 /nfs/dbraw/zinc/41/26/92/1191412692.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001484554499 1191412694 /nfs/dbraw/zinc/41/26/94/1191412694.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 2 1 341.499 2.488 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485108582 1191657100 /nfs/dbraw/zinc/65/71/00/1191657100.db2.gz NWZWPVUOIQEJAX-UHFFFAOYSA-N 2 1 345.462 2.003 10 30 EEEEMP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493969299 1191791365 /nfs/dbraw/zinc/79/13/65/1191791365.db2.gz YZFURXUXGMIXTC-GDBMZVCRSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691682292 1197488154 /nfs/dbraw/zinc/48/81/54/1197488154.db2.gz HNCGFWFDXVGFMD-PKOBYXMFSA-N 2 1 333.520 2.489 10 30 EEEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865494635 1198246145 /nfs/dbraw/zinc/24/61/45/1198246145.db2.gz GAMKEBILMMNHGI-UXHICEINSA-N 2 1 342.487 2.092 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741335 1199750606 /nfs/dbraw/zinc/75/06/06/1199750606.db2.gz QMUWJAXZAMDKPY-IRXDYDNUSA-N 2 1 335.879 2.137 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001273980191 1202185439 /nfs/dbraw/zinc/18/54/39/1202185439.db2.gz VPKYSHYCTSTWLX-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280593289 1205210990 /nfs/dbraw/zinc/21/09/90/1205210990.db2.gz AECXPRWGUQIOGS-ZWKOTPCHSA-N 2 1 339.524 2.258 10 30 EEEEMP N#CC1(CCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)CCOCC1 ZINC000931287578 1206622167 /nfs/dbraw/zinc/62/21/67/1206622167.db2.gz RSLMMYTTYHGBEP-UHFFFAOYSA-N 2 1 335.492 2.274 10 30 EEEEMP N#CC1(CCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)CCOCC1 ZINC000931287578 1206622168 /nfs/dbraw/zinc/62/21/68/1206622168.db2.gz RSLMMYTTYHGBEP-UHFFFAOYSA-N 2 1 335.492 2.274 10 30 EEEEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000246695470 1213005065 /nfs/dbraw/zinc/00/50/65/1213005065.db2.gz ZAXDCZXMMUHXJA-IIAWOOMASA-N 2 1 336.505 2.214 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001276327144 1215734670 /nfs/dbraw/zinc/73/46/70/1215734670.db2.gz QBTUXNSVPZXRKJ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001276327144 1215734665 /nfs/dbraw/zinc/73/46/65/1215734665.db2.gz QBTUXNSVPZXRKJ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001276327144 1215734668 /nfs/dbraw/zinc/73/46/68/1215734668.db2.gz QBTUXNSVPZXRKJ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001276327144 1215734673 /nfs/dbraw/zinc/73/46/73/1215734673.db2.gz QBTUXNSVPZXRKJ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC[NH+]1CCCC1)CO2 ZINC001273729684 1284288779 /nfs/dbraw/zinc/28/87/79/1284288779.db2.gz XXIIDILWJKRCFT-SFHVURJKSA-N 2 1 349.519 2.178 10 30 EEEEMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000859213540 1294351172 /nfs/dbraw/zinc/35/11/72/1294351172.db2.gz PMQOOLJZVFEPKT-LJQANCHMSA-N 2 1 345.487 2.251 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001491111437 1299599754 /nfs/dbraw/zinc/59/97/54/1299599754.db2.gz OQDDKEPRIGTTDH-WOJBJXKFSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001276862574 1299973869 /nfs/dbraw/zinc/97/38/69/1299973869.db2.gz NWAMJRVZVNWVJZ-MRXNPFEDSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001262970418 1322410784 /nfs/dbraw/zinc/41/07/84/1322410784.db2.gz IYHBBOQNZQHCKZ-QGZVFWFLSA-N 2 1 346.523 2.195 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032032 1322592519 /nfs/dbraw/zinc/59/25/19/1322592519.db2.gz GHJLJXVFJNGRIK-NEWSRXKRSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596310 1322746007 /nfs/dbraw/zinc/74/60/07/1322746007.db2.gz PZXGFFQGZLCHBF-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001265919058 1323484867 /nfs/dbraw/zinc/48/48/67/1323484867.db2.gz CAWASSXLDRUKQM-GOSISDBHSA-N 2 1 330.476 2.083 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001279395046 1323895482 /nfs/dbraw/zinc/89/54/82/1323895482.db2.gz DODPIWOVJTYJON-KURKYZTESA-N 2 1 342.487 2.110 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001279395046 1323895490 /nfs/dbraw/zinc/89/54/90/1323895490.db2.gz DODPIWOVJTYJON-KURKYZTESA-N 2 1 342.487 2.110 10 30 EEEEMP C=CC[NH2+][C@H](CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001282549466 1325739796 /nfs/dbraw/zinc/73/97/96/1325739796.db2.gz FYYXIAMDMBNSBN-QAPCUYQASA-N 2 1 347.507 2.439 10 30 EEEEMP C=CC[NH2+][C@H](CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001282549466 1325739798 /nfs/dbraw/zinc/73/97/98/1325739798.db2.gz FYYXIAMDMBNSBN-QAPCUYQASA-N 2 1 347.507 2.439 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682533 1330204212 /nfs/dbraw/zinc/20/42/12/1330204212.db2.gz MRVGVQSEFXEAQR-CJNGLKHVSA-N 2 1 334.489 2.088 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450812 1331262990 /nfs/dbraw/zinc/26/29/90/1331262990.db2.gz ZNXWMNXGNORCKG-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cccc(C#N)c1 ZINC001492450812 1331262994 /nfs/dbraw/zinc/26/29/94/1331262994.db2.gz ZNXWMNXGNORCKG-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1cccc(C#N)c1 ZINC001492450812 1331262995 /nfs/dbraw/zinc/26/29/95/1331262995.db2.gz ZNXWMNXGNORCKG-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467750 1331493076 /nfs/dbraw/zinc/49/30/76/1331493076.db2.gz XGJBQNCUYAUSRH-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467750 1331493079 /nfs/dbraw/zinc/49/30/79/1331493079.db2.gz XGJBQNCUYAUSRH-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317467750 1331493082 /nfs/dbraw/zinc/49/30/82/1331493082.db2.gz XGJBQNCUYAUSRH-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317467750 1331493084 /nfs/dbraw/zinc/49/30/84/1331493084.db2.gz XGJBQNCUYAUSRH-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317162474 1332106485 /nfs/dbraw/zinc/10/64/85/1332106485.db2.gz UATRUYWGHJFMFJ-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317720979 1332388034 /nfs/dbraw/zinc/38/80/34/1332388034.db2.gz QDASXVJHJPROQE-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001318300965 1332505238 /nfs/dbraw/zinc/50/52/38/1332505238.db2.gz IIVQGDOTCDGSKS-MJGOQNOKSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC001319473690 1332707798 /nfs/dbraw/zinc/70/77/98/1332707798.db2.gz URGUFFAWOOVFIQ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC001319473690 1332707799 /nfs/dbraw/zinc/70/77/99/1332707799.db2.gz URGUFFAWOOVFIQ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001321098559 1333019937 /nfs/dbraw/zinc/01/99/37/1333019937.db2.gz WQBZULVYIZIUIV-XYBNCVKDSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC[NH+](CCF)CC1 ZINC001324419551 1333678761 /nfs/dbraw/zinc/67/87/61/1333678761.db2.gz BECWXSDVBXVSPT-QGZVFWFLSA-N 2 1 325.472 2.003 10 30 EEEEMP CC#CCN1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001327684933 1334333937 /nfs/dbraw/zinc/33/39/37/1334333937.db2.gz JQCABZWVOKTYRW-UHFFFAOYSA-N 2 1 325.456 2.126 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001330298330 1334819901 /nfs/dbraw/zinc/81/99/01/1334819901.db2.gz RZKXQKGNSKOADY-VQHPVUNQSA-N 2 1 330.476 2.267 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001330298330 1334819902 /nfs/dbraw/zinc/81/99/02/1334819902.db2.gz RZKXQKGNSKOADY-VQHPVUNQSA-N 2 1 330.476 2.267 10 30 EEEEMP C#C[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000848277001 1338632009 /nfs/dbraw/zinc/63/20/09/1338632009.db2.gz LMDDSSKBPAXIQS-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001669317320 1356144172 /nfs/dbraw/zinc/14/41/72/1356144172.db2.gz UVFWJXIDPVJHIP-AOIWGVFYSA-N 2 1 327.472 2.248 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001669317320 1356144176 /nfs/dbraw/zinc/14/41/76/1356144176.db2.gz UVFWJXIDPVJHIP-AOIWGVFYSA-N 2 1 327.472 2.248 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C(C)C ZINC001563454018 1342544978 /nfs/dbraw/zinc/54/49/78/1342544978.db2.gz WXFXMPIUICKAGN-KSZLIROESA-N 2 1 336.524 2.419 10 30 EEEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001567630740 1342797116 /nfs/dbraw/zinc/79/71/16/1342797116.db2.gz YDVSTDLNADAFEE-OAHLLOKOSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001567746948 1342833269 /nfs/dbraw/zinc/83/32/69/1342833269.db2.gz RSZVRQFQBTZLFE-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570215563 1343033076 /nfs/dbraw/zinc/03/30/76/1343033076.db2.gz IABISECVQXGFOH-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570215563 1343033081 /nfs/dbraw/zinc/03/30/81/1343033081.db2.gz IABISECVQXGFOH-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001570271851 1343045724 /nfs/dbraw/zinc/04/57/24/1343045724.db2.gz PNOXKWFGZWORCG-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001570271851 1343045727 /nfs/dbraw/zinc/04/57/27/1343045727.db2.gz PNOXKWFGZWORCG-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001570271851 1343045733 /nfs/dbraw/zinc/04/57/33/1343045733.db2.gz PNOXKWFGZWORCG-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393905 1343064412 /nfs/dbraw/zinc/06/44/12/1343064412.db2.gz RYOVHOBHEKRGOF-JKSUJKDBSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393905 1343064417 /nfs/dbraw/zinc/06/44/17/1343064417.db2.gz RYOVHOBHEKRGOF-JKSUJKDBSA-N 2 1 330.476 2.247 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001676837305 1357216483 /nfs/dbraw/zinc/21/64/83/1357216483.db2.gz GQFNLJRTPPWCJE-FGTMMUONSA-N 2 1 330.476 2.374 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001661891387 1354719730 /nfs/dbraw/zinc/71/97/30/1354719730.db2.gz YLWKWWDVLRDYTP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001661891387 1354719732 /nfs/dbraw/zinc/71/97/32/1354719732.db2.gz YLWKWWDVLRDYTP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001661891387 1354719734 /nfs/dbraw/zinc/71/97/34/1354719734.db2.gz YLWKWWDVLRDYTP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001661891387 1354719736 /nfs/dbraw/zinc/71/97/36/1354719736.db2.gz YLWKWWDVLRDYTP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016582 /nfs/dbraw/zinc/01/65/82/1355016582.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 2 1 341.499 2.183 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016584 /nfs/dbraw/zinc/01/65/84/1355016584.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 2 1 341.499 2.183 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016586 /nfs/dbraw/zinc/01/65/86/1355016586.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 2 1 341.499 2.183 10 30 EEEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC001666340950 1355513042 /nfs/dbraw/zinc/51/30/42/1355513042.db2.gz GDNBYZHOFAOEMF-SFHVURJKSA-N 2 1 338.455 2.346 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059192 1355858342 /nfs/dbraw/zinc/85/83/42/1355858342.db2.gz BSURSCDBZAHGLE-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001672806597 1356589108 /nfs/dbraw/zinc/58/91/08/1356589108.db2.gz YRNBBDPCSPRMRY-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001673080006 1356644387 /nfs/dbraw/zinc/64/43/87/1356644387.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CCC[N@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001673080006 1356644391 /nfs/dbraw/zinc/64/43/91/1356644391.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001673080006 1356644395 /nfs/dbraw/zinc/64/43/95/1356644395.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 2 1 339.483 2.026 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001683859334 1358204784 /nfs/dbraw/zinc/20/47/84/1358204784.db2.gz JSIVXQIXUOKJGS-MOPGFXCFSA-N 2 1 331.504 2.195 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845830 1405104426 /nfs/dbraw/zinc/10/44/26/1405104426.db2.gz PJUDAGFUBBWQLE-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743889 779231729 /nfs/dbraw/zinc/23/17/29/779231729.db2.gz DUNLSOUDOIKLPH-HOTGVXAUSA-N 2 1 339.911 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743889 779231734 /nfs/dbraw/zinc/23/17/34/779231734.db2.gz DUNLSOUDOIKLPH-HOTGVXAUSA-N 2 1 339.911 2.297 10 30 EEEEMP C#CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000820982740 786546593 /nfs/dbraw/zinc/54/65/93/786546593.db2.gz DPZPIBWUGLJQEC-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP C#CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000820982740 786546598 /nfs/dbraw/zinc/54/65/98/786546598.db2.gz DPZPIBWUGLJQEC-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP CCO[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000922753566 801817012 /nfs/dbraw/zinc/81/70/12/801817012.db2.gz HOLAYHDPIDTYBN-LJQANCHMSA-N 2 1 330.476 2.083 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321081 1089483004 /nfs/dbraw/zinc/48/30/04/1089483004.db2.gz IZGNOQUESIXUCL-RTBURBONSA-N 2 1 342.487 2.415 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001440660612 1093930632 /nfs/dbraw/zinc/93/06/32/1093930632.db2.gz BQLLSFBILBFZOS-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001442228680 1096526914 /nfs/dbraw/zinc/52/69/14/1096526914.db2.gz XXHACJWYCDNQLL-NWDGAFQWSA-N 2 1 341.805 2.060 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085544 1099640359 /nfs/dbraw/zinc/64/03/59/1099640359.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480085544 1099640362 /nfs/dbraw/zinc/64/03/62/1099640362.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480085544 1099640369 /nfs/dbraw/zinc/64/03/69/1099640369.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001480285038 1099992368 /nfs/dbraw/zinc/99/23/68/1099992368.db2.gz ZLTNJIGHXBXTIJ-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001480285038 1099992380 /nfs/dbraw/zinc/99/23/80/1099992380.db2.gz ZLTNJIGHXBXTIJ-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001495415697 1101135480 /nfs/dbraw/zinc/13/54/80/1101135480.db2.gz NPZNKOUDVAVSJL-GDBMZVCRSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001495683856 1101433554 /nfs/dbraw/zinc/43/35/54/1101433554.db2.gz SJULYKOIGPQKRB-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001495683856 1101433559 /nfs/dbraw/zinc/43/35/59/1101433559.db2.gz SJULYKOIGPQKRB-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496193060 1102197676 /nfs/dbraw/zinc/19/76/76/1102197676.db2.gz QFSUCPCNNJEDLA-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448041521 1103873284 /nfs/dbraw/zinc/87/32/84/1103873284.db2.gz KWPLTLYXGJYRKR-CQSZACIVSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC001494876486 1104487313 /nfs/dbraw/zinc/48/73/13/1104487313.db2.gz PQFLYQTYUQVWFF-GOSISDBHSA-N 2 1 337.483 2.004 10 30 EEEEMP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001493151006 1107600273 /nfs/dbraw/zinc/60/02/73/1107600273.db2.gz IHXXRLZZJHQIII-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001493151006 1107600279 /nfs/dbraw/zinc/60/02/79/1107600279.db2.gz IHXXRLZZJHQIII-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001493151006 1107600282 /nfs/dbraw/zinc/60/02/82/1107600282.db2.gz IHXXRLZZJHQIII-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001493151006 1107600288 /nfs/dbraw/zinc/60/02/88/1107600288.db2.gz IHXXRLZZJHQIII-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001493255316 1107783694 /nfs/dbraw/zinc/78/36/94/1107783694.db2.gz RCGNUJQQGMMIIX-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001469978515 1110499445 /nfs/dbraw/zinc/49/94/45/1110499445.db2.gz FJCYBORVPGVOPU-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001469978515 1110499446 /nfs/dbraw/zinc/49/94/46/1110499446.db2.gz FJCYBORVPGVOPU-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978515 1110499447 /nfs/dbraw/zinc/49/94/47/1110499447.db2.gz FJCYBORVPGVOPU-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978515 1110499448 /nfs/dbraw/zinc/49/94/48/1110499448.db2.gz FJCYBORVPGVOPU-MJGOQNOKSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001478734381 1110657247 /nfs/dbraw/zinc/65/72/47/1110657247.db2.gz CDOHJAGGBRTIGG-GOSISDBHSA-N 2 1 342.487 2.030 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001478734381 1110657248 /nfs/dbraw/zinc/65/72/48/1110657248.db2.gz CDOHJAGGBRTIGG-GOSISDBHSA-N 2 1 342.487 2.030 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001478734381 1110657250 /nfs/dbraw/zinc/65/72/50/1110657250.db2.gz CDOHJAGGBRTIGG-GOSISDBHSA-N 2 1 342.487 2.030 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001501053475 1113182185 /nfs/dbraw/zinc/18/21/85/1113182185.db2.gz IQSAWQDTNXUKMF-DLBZAZTESA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001501699023 1113440545 /nfs/dbraw/zinc/44/05/45/1113440545.db2.gz XECLOJMDMOMIRT-ZHALLVOQSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001501720252 1113448901 /nfs/dbraw/zinc/44/89/01/1113448901.db2.gz FFJWEJQIZBKSKK-BQFCYCMXSA-N 2 1 339.911 2.489 10 30 EEEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+]([C@@H](C)COC)CC1 ZINC001502404288 1113669170 /nfs/dbraw/zinc/66/91/70/1113669170.db2.gz FABVFXCAJPEAQJ-YTQUADARSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+]([C@@H](C)COC)CC1 ZINC001502404288 1113669172 /nfs/dbraw/zinc/66/91/72/1113669172.db2.gz FABVFXCAJPEAQJ-YTQUADARSA-N 2 1 349.519 2.127 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918361 1114275378 /nfs/dbraw/zinc/27/53/78/1114275378.db2.gz KIQSBVMILLIRSB-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918361 1114275383 /nfs/dbraw/zinc/27/53/83/1114275383.db2.gz KIQSBVMILLIRSB-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001505918361 1114275386 /nfs/dbraw/zinc/27/53/86/1114275386.db2.gz KIQSBVMILLIRSB-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001505918361 1114275389 /nfs/dbraw/zinc/27/53/89/1114275389.db2.gz KIQSBVMILLIRSB-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722365 1114832531 /nfs/dbraw/zinc/83/25/31/1114832531.db2.gz OSKMABXKKVXTBI-PKOBYXMFSA-N 2 1 349.519 2.129 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938239 1114987844 /nfs/dbraw/zinc/98/78/44/1114987844.db2.gz NXVDMPLGIDNUHV-OALUTQOASA-N 2 1 341.499 2.254 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001506965164 1115014819 /nfs/dbraw/zinc/01/48/19/1115014819.db2.gz BGCYLYDLCRAPHP-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001568087649 1124291219 /nfs/dbraw/zinc/29/12/19/1124291219.db2.gz ISUMDBICAFKYMP-LJQANCHMSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001568250435 1124386048 /nfs/dbraw/zinc/38/60/48/1124386048.db2.gz GSDOEFPBOSTMBT-UHFFFAOYSA-N 2 1 346.475 2.240 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569030594 1125053103 /nfs/dbraw/zinc/05/31/03/1125053103.db2.gz WFCPBGQHPVJWFG-WBVHZDCISA-N 2 1 347.890 2.128 10 30 EEEEMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000047970609 462844317 /nfs/dbraw/zinc/84/43/17/462844317.db2.gz VIWARUTXKJPYTQ-UHFFFAOYSA-N 2 1 332.492 2.137 10 30 EEEEMP CCc1nn(C)c(CC)c1CNC(N[C@@H]1CC[N@H+](CC)[C@@H](C)C1)=[NH+]C ZINC000252511585 464976748 /nfs/dbraw/zinc/97/67/48/464976748.db2.gz IHVUJGYYZRBLRL-LSDHHAIUSA-N 2 1 348.539 2.083 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597942756 468720302 /nfs/dbraw/zinc/72/03/02/468720302.db2.gz NEBJVKFNZAJWJM-INIZCTEOSA-N 2 1 344.503 2.490 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597942756 468720305 /nfs/dbraw/zinc/72/03/05/468720305.db2.gz NEBJVKFNZAJWJM-INIZCTEOSA-N 2 1 344.503 2.490 10 30 EEEEMP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602523681 469349055 /nfs/dbraw/zinc/34/90/55/469349055.db2.gz FYRLRYSZKJAFKD-WMZOPIPTSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602523681 469349057 /nfs/dbraw/zinc/34/90/57/469349057.db2.gz FYRLRYSZKJAFKD-WMZOPIPTSA-N 2 1 328.460 2.131 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701976 472215316 /nfs/dbraw/zinc/21/53/16/472215316.db2.gz VVDRUJBKHDNFAB-CTNGQTDRSA-N 2 1 341.499 2.366 10 30 EEEEMP CC[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000097013725 528806318 /nfs/dbraw/zinc/80/63/18/528806318.db2.gz QZPVGWPHLNGPDL-INIZCTEOSA-N 2 1 347.507 2.406 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1cc(Cl)cn1C ZINC000261958545 676694737 /nfs/dbraw/zinc/69/47/37/676694737.db2.gz JLCJSPCCPLGZAX-AWEZNQCLSA-N 2 1 325.888 2.170 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001485669288 1191888788 /nfs/dbraw/zinc/88/87/88/1191888788.db2.gz TWXMKAPOIMLBDI-CALCHBBNSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001485669288 1191888790 /nfs/dbraw/zinc/88/87/90/1191888790.db2.gz TWXMKAPOIMLBDI-CALCHBBNSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001485669288 1191888792 /nfs/dbraw/zinc/88/87/92/1191888792.db2.gz TWXMKAPOIMLBDI-CALCHBBNSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001485669288 1191888794 /nfs/dbraw/zinc/88/87/94/1191888794.db2.gz TWXMKAPOIMLBDI-CALCHBBNSA-N 2 1 327.900 2.251 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748158 1191930405 /nfs/dbraw/zinc/93/04/05/1191930405.db2.gz KVXYWXDMSCCSGC-GOEBONIOSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001272701585 1191961428 /nfs/dbraw/zinc/96/14/28/1191961428.db2.gz XCCJSWMCVHAHJB-AEFFLSMTSA-N 2 1 327.472 2.319 10 30 EEEEMP C=CCC[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001266615721 1176996204 /nfs/dbraw/zinc/99/62/04/1176996204.db2.gz QTVZTSUPATUQPC-UHFFFAOYSA-N 2 1 325.416 2.038 10 30 EEEEMP C=CCC[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001266615721 1176996209 /nfs/dbraw/zinc/99/62/09/1176996209.db2.gz QTVZTSUPATUQPC-UHFFFAOYSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891845 1177729017 /nfs/dbraw/zinc/72/90/17/1177729017.db2.gz RQCULUFKPZULOY-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001266906125 1177772497 /nfs/dbraw/zinc/77/24/97/1177772497.db2.gz IIMKGTKGVXLYJM-FQHZCAMKSA-N 2 1 343.515 2.124 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001267386684 1178947446 /nfs/dbraw/zinc/94/74/46/1178947446.db2.gz QROSNEZNWVTEKF-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001267386684 1178947448 /nfs/dbraw/zinc/94/74/48/1178947448.db2.gz QROSNEZNWVTEKF-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001267557873 1179357806 /nfs/dbraw/zinc/35/78/06/1179357806.db2.gz OBXVSXDCYHOHPG-IAGOWNOFSA-N 2 1 330.476 2.240 10 30 EEEEMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001268047551 1181560919 /nfs/dbraw/zinc/56/09/19/1181560919.db2.gz GMHBFFATVNZTEL-UHFFFAOYSA-N 2 1 327.472 2.229 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494605 1181562517 /nfs/dbraw/zinc/56/25/17/1181562517.db2.gz VPWDVSKEDGIQRQ-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481494605 1181562521 /nfs/dbraw/zinc/56/25/21/1181562521.db2.gz VPWDVSKEDGIQRQ-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481494605 1181562525 /nfs/dbraw/zinc/56/25/25/1181562525.db2.gz VPWDVSKEDGIQRQ-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268364710 1182336856 /nfs/dbraw/zinc/33/68/56/1182336856.db2.gz ACJBVJNNSWUZAY-GPMSIDNRSA-N 2 1 345.462 2.002 10 30 EEEEMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)C[N@H+](C)CCC)CC1 ZINC001279327603 1182489155 /nfs/dbraw/zinc/48/91/55/1182489155.db2.gz KGZWQFJGOVIDMD-UHFFFAOYSA-N 2 1 344.503 2.402 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268629947 1183554426 /nfs/dbraw/zinc/55/44/26/1183554426.db2.gz BDXOPANWKHXBFU-CHYADLBTSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001268648876 1183577088 /nfs/dbraw/zinc/57/70/88/1183577088.db2.gz ZOSHJWSAFDSYBY-LBTNJELSSA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001268648876 1183577095 /nfs/dbraw/zinc/57/70/95/1183577095.db2.gz ZOSHJWSAFDSYBY-LBTNJELSSA-N 2 1 349.425 2.218 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769992 1183688389 /nfs/dbraw/zinc/68/83/89/1183688389.db2.gz FBUKJJIZKLCLJH-IAGOWNOFSA-N 2 1 330.476 2.294 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001269645172 1184466268 /nfs/dbraw/zinc/46/62/68/1184466268.db2.gz LYUVSRIRXDNJAP-NRFANRHFSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001270118074 1184861805 /nfs/dbraw/zinc/86/18/05/1184861805.db2.gz GMSVWLRNWFNICQ-INIZCTEOSA-N 2 1 330.476 2.248 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001270791676 1185391194 /nfs/dbraw/zinc/39/11/94/1185391194.db2.gz QCZLLXXUJPAMOX-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485828111 1193479347 /nfs/dbraw/zinc/47/93/47/1193479347.db2.gz UMGWDPMGMFRXEG-CRAIPNDOSA-N 2 1 325.472 2.212 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)CCC[NH+](C)C ZINC001482622350 1187445852 /nfs/dbraw/zinc/44/58/52/1187445852.db2.gz IYNOOAJBMMSPMW-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)CCC[NH+](C)C ZINC001482622350 1187445853 /nfs/dbraw/zinc/44/58/53/1187445853.db2.gz IYNOOAJBMMSPMW-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(=C)C)C1 ZINC001691619837 1188320197 /nfs/dbraw/zinc/32/01/97/1188320197.db2.gz BCCJMCAILHVPMT-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(=C)C)C1 ZINC001691619837 1188320198 /nfs/dbraw/zinc/32/01/98/1188320198.db2.gz BCCJMCAILHVPMT-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001486130508 1193689716 /nfs/dbraw/zinc/68/97/16/1193689716.db2.gz QCEBOYFVTVYSTQ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001483813902 1191059077 /nfs/dbraw/zinc/05/90/77/1191059077.db2.gz LDUBXQKWWPZNJN-HXUWFJFHSA-N 2 1 345.531 2.493 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001483966046 1191134603 /nfs/dbraw/zinc/13/46/03/1191134603.db2.gz DNDRHLUFFNQVSK-INIZCTEOSA-N 2 1 330.476 2.391 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484522279 1191397127 /nfs/dbraw/zinc/39/71/27/1191397127.db2.gz GFGXADBRKRVCSZ-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484551519 1191410564 /nfs/dbraw/zinc/41/05/64/1191410564.db2.gz KVHQJMQSPKYWOM-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001484864678 1191555105 /nfs/dbraw/zinc/55/51/05/1191555105.db2.gz KSPXZCJQRHFMJL-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2F)CC1 ZINC001485387039 1191774685 /nfs/dbraw/zinc/77/46/85/1191774685.db2.gz BVHSRCVYBVDTEV-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2F)CC1 ZINC001485387039 1191774686 /nfs/dbraw/zinc/77/46/86/1191774686.db2.gz BVHSRCVYBVDTEV-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485476439 1191804885 /nfs/dbraw/zinc/80/48/85/1191804885.db2.gz LKKXACCQJKPSCL-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485476439 1191804886 /nfs/dbraw/zinc/80/48/86/1191804886.db2.gz LKKXACCQJKPSCL-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001273154458 1197104013 /nfs/dbraw/zinc/10/40/13/1197104013.db2.gz OCZPLTOGPPSGBW-GOSISDBHSA-N 2 1 339.483 2.008 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001273308542 1198015436 /nfs/dbraw/zinc/01/54/36/1198015436.db2.gz LTCNKIFTCCRANX-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867958086 1201715450 /nfs/dbraw/zinc/71/54/50/1201715450.db2.gz HSWKQQIFWYJKDL-FQEVSTJZSA-N 2 1 348.450 2.488 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574039 1205423415 /nfs/dbraw/zinc/42/34/15/1205423415.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574039 1205423417 /nfs/dbraw/zinc/42/34/17/1205423417.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574039 1205423418 /nfs/dbraw/zinc/42/34/18/1205423418.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001275574039 1205423420 /nfs/dbraw/zinc/42/34/20/1205423420.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001275574039 1205423422 /nfs/dbraw/zinc/42/34/22/1205423422.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275659479 1205470149 /nfs/dbraw/zinc/47/01/49/1205470149.db2.gz VYCSZZLPBYCJMI-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275659479 1205470150 /nfs/dbraw/zinc/47/01/50/1205470150.db2.gz VYCSZZLPBYCJMI-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001275659479 1205470151 /nfs/dbraw/zinc/47/01/51/1205470151.db2.gz VYCSZZLPBYCJMI-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001276137758 1205794981 /nfs/dbraw/zinc/79/49/81/1205794981.db2.gz GORFMCRPYWDCSD-MJGOQNOKSA-N 2 1 344.503 2.240 10 30 EEEEMP C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467524 1207968706 /nfs/dbraw/zinc/96/87/06/1207968706.db2.gz OFSLLLBMTYNSCF-NZSAHSFTSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934467524 1207968709 /nfs/dbraw/zinc/96/87/09/1207968709.db2.gz OFSLLLBMTYNSCF-NZSAHSFTSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000934467524 1207968711 /nfs/dbraw/zinc/96/87/11/1207968711.db2.gz OFSLLLBMTYNSCF-NZSAHSFTSA-N 2 1 327.472 2.416 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279097979 1319256694 /nfs/dbraw/zinc/25/66/94/1319256694.db2.gz YJWBPWPORJYYRA-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001262989774 1322417726 /nfs/dbraw/zinc/41/77/26/1322417726.db2.gz FCYHBVBKKWJZQM-UHFFFAOYSA-N 2 1 332.496 2.027 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001264018248 1322585925 /nfs/dbraw/zinc/58/59/25/1322585925.db2.gz ZOZMAZAFBKWYPM-IEBWSBKVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001264574358 1322735482 /nfs/dbraw/zinc/73/54/82/1322735482.db2.gz RKHDRFMAVYOGAN-GUDVDZBRSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594116 1322744770 /nfs/dbraw/zinc/74/47/70/1322744770.db2.gz FFKYTFVYUTZCDU-KGLIPLIRSA-N 2 1 335.414 2.131 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265104532 1322921169 /nfs/dbraw/zinc/92/11/69/1322921169.db2.gz WHVXJHDROPEYIJ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001265104532 1322921173 /nfs/dbraw/zinc/92/11/73/1322921173.db2.gz WHVXJHDROPEYIJ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001265104532 1322921176 /nfs/dbraw/zinc/92/11/76/1322921176.db2.gz WHVXJHDROPEYIJ-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001265336004 1323083831 /nfs/dbraw/zinc/08/38/31/1323083831.db2.gz NIZZVMJSQVDLKW-SFHVURJKSA-N 2 1 327.472 2.275 10 30 EEEEMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001265336004 1323083839 /nfs/dbraw/zinc/08/38/39/1323083839.db2.gz NIZZVMJSQVDLKW-SFHVURJKSA-N 2 1 327.472 2.275 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001265596460 1323253057 /nfs/dbraw/zinc/25/30/57/1323253057.db2.gz CTZAPWIDOBFUQZ-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001265596460 1323253066 /nfs/dbraw/zinc/25/30/66/1323253066.db2.gz CTZAPWIDOBFUQZ-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001265596460 1323253073 /nfs/dbraw/zinc/25/30/73/1323253073.db2.gz CTZAPWIDOBFUQZ-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786014 1323380016 /nfs/dbraw/zinc/38/00/16/1323380016.db2.gz KKBOQEWZJIYBCV-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265986558 1323546344 /nfs/dbraw/zinc/54/63/44/1323546344.db2.gz HUVOSKUHAXSJLZ-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265986558 1323546349 /nfs/dbraw/zinc/54/63/49/1323546349.db2.gz HUVOSKUHAXSJLZ-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155747 1323724613 /nfs/dbraw/zinc/72/46/13/1323724613.db2.gz QHWUZWPMAUOKSQ-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001282400822 1325708798 /nfs/dbraw/zinc/70/87/98/1325708798.db2.gz BIZVBFCHZVGIKY-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C ZINC001282400822 1325708792 /nfs/dbraw/zinc/70/87/92/1325708792.db2.gz BIZVBFCHZVGIKY-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C ZINC001282400822 1325708794 /nfs/dbraw/zinc/70/87/94/1325708794.db2.gz BIZVBFCHZVGIKY-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C ZINC001282400822 1325708795 /nfs/dbraw/zinc/70/87/95/1325708795.db2.gz BIZVBFCHZVGIKY-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284065218 1326388950 /nfs/dbraw/zinc/38/89/50/1326388950.db2.gz BDBTYANEPQJVQZ-UYAOXDASSA-N 2 1 349.519 2.178 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284065218 1326388952 /nfs/dbraw/zinc/38/89/52/1326388952.db2.gz BDBTYANEPQJVQZ-UYAOXDASSA-N 2 1 349.519 2.178 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001284095208 1326404209 /nfs/dbraw/zinc/40/42/09/1326404209.db2.gz DQRYCSPQQMLUGW-RCCFBDPRSA-N 2 1 333.520 2.204 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001284929840 1326781658 /nfs/dbraw/zinc/78/16/58/1326781658.db2.gz NWBNGVIHYZTIIB-KRWDZBQOSA-N 2 1 328.460 2.160 10 30 EEEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491897232 1330294537 /nfs/dbraw/zinc/29/45/37/1330294537.db2.gz UPROGRPXMNUXHE-RBUKOAKNSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491897232 1330294539 /nfs/dbraw/zinc/29/45/39/1330294539.db2.gz UPROGRPXMNUXHE-RBUKOAKNSA-N 2 1 327.472 2.159 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001316841114 1331928055 /nfs/dbraw/zinc/92/80/55/1331928055.db2.gz JRXKNRVWLSVIRK-INIZCTEOSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001316841114 1331928056 /nfs/dbraw/zinc/92/80/56/1331928056.db2.gz JRXKNRVWLSVIRK-INIZCTEOSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001316841114 1331928057 /nfs/dbraw/zinc/92/80/57/1331928057.db2.gz JRXKNRVWLSVIRK-INIZCTEOSA-N 2 1 334.489 2.042 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247607 1332670487 /nfs/dbraw/zinc/67/04/87/1332670487.db2.gz XWONVYWMLRLKHO-SFHVURJKSA-N 2 1 343.515 2.358 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319889280 1332793043 /nfs/dbraw/zinc/79/30/43/1332793043.db2.gz TZRJBRNWUBLPBO-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001322517305 1333274897 /nfs/dbraw/zinc/27/48/97/1333274897.db2.gz OXSGEZXZKMULLN-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001324397141 1333674060 /nfs/dbraw/zinc/67/40/60/1333674060.db2.gz LYJWZMWBUHJFMF-JFIYKMOQSA-N 2 1 337.483 2.001 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC(C)C)C2)CC1 ZINC001324673670 1333737301 /nfs/dbraw/zinc/73/73/01/1333737301.db2.gz NBDVAOBZJMGXJL-HXUWFJFHSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001326912028 1334182751 /nfs/dbraw/zinc/18/27/51/1334182751.db2.gz XEFKSSVBZPBOQY-GOSISDBHSA-N 2 1 327.472 2.331 10 30 EEEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001332209153 1335767699 /nfs/dbraw/zinc/76/76/99/1335767699.db2.gz YQONAQVYMNCPKK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001332209153 1335767707 /nfs/dbraw/zinc/76/77/07/1335767707.db2.gz YQONAQVYMNCPKK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332281986 1335790767 /nfs/dbraw/zinc/79/07/67/1335790767.db2.gz NYGIAIIQADJQFJ-GJZGRUSLSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001332881152 1335924182 /nfs/dbraw/zinc/92/41/82/1335924182.db2.gz HIDOFOFOHPHPMX-MSOLQXFVSA-N 2 1 329.488 2.433 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCC1 ZINC001569610716 1342908007 /nfs/dbraw/zinc/90/80/07/1342908007.db2.gz WOWIYNZMTKFUDI-MOPGFXCFSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCC(C)C)C[C@@H]3C2)CC1 ZINC001569884507 1342969708 /nfs/dbraw/zinc/96/97/08/1342969708.db2.gz SSOIYYCGDWRYFE-BGYRXZFFSA-N 2 1 345.531 2.158 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001677467588 1357336537 /nfs/dbraw/zinc/33/65/37/1357336537.db2.gz ORWDGNTWYBZNQL-UHFFFAOYSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001677467588 1357336542 /nfs/dbraw/zinc/33/65/42/1357336542.db2.gz ORWDGNTWYBZNQL-UHFFFAOYSA-N 2 1 339.483 2.112 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649461115 1353517561 /nfs/dbraw/zinc/51/75/61/1353517561.db2.gz DBKGMACLRHKLMJ-PKOBYXMFSA-N 2 1 329.488 2.174 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001661318018 1354627145 /nfs/dbraw/zinc/62/71/45/1354627145.db2.gz RXGJZBKCTKVMAB-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001663928622 1355055024 /nfs/dbraw/zinc/05/50/24/1355055024.db2.gz XKSAWXPUMXKIFM-INIZCTEOSA-N 2 1 334.489 2.041 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001666111351 1355454856 /nfs/dbraw/zinc/45/48/56/1355454856.db2.gz RMEHRBNGRDQIGY-BZUAXINKSA-N 2 1 327.900 2.297 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001667059895 1355642454 /nfs/dbraw/zinc/64/24/54/1355642454.db2.gz WNRYBVXIYVKGEU-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001671432751 1356338595 /nfs/dbraw/zinc/33/85/95/1356338595.db2.gz XAPMYHHWBVUKER-ZWKOTPCHSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC=C)CC1 ZINC001672543372 1356551971 /nfs/dbraw/zinc/55/19/71/1356551971.db2.gz IIPQVRAQXRSSFN-UXHICEINSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001672830382 1356594467 /nfs/dbraw/zinc/59/44/67/1356594467.db2.gz HFWXFEMSRDLKPK-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145440 1356797828 /nfs/dbraw/zinc/79/78/28/1356797828.db2.gz JAMNTKYQLBGGAE-OALUTQOASA-N 2 1 346.519 2.082 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145440 1356797832 /nfs/dbraw/zinc/79/78/32/1356797832.db2.gz JAMNTKYQLBGGAE-OALUTQOASA-N 2 1 346.519 2.082 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001675707639 1357041325 /nfs/dbraw/zinc/04/13/25/1357041325.db2.gz LSPIUQYZJHWNNM-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001692119779 1404981129 /nfs/dbraw/zinc/98/11/29/1404981129.db2.gz KMRSRNPFTIANSS-GUDVDZBRSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000913429096 788868365 /nfs/dbraw/zinc/86/83/65/788868365.db2.gz NBIAJDMCPIYHBE-PKOBYXMFSA-N 2 1 329.488 2.379 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001437683015 1090220677 /nfs/dbraw/zinc/22/06/77/1090220677.db2.gz BZYDQIUPEHORKI-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001437683015 1090220685 /nfs/dbraw/zinc/22/06/85/1090220685.db2.gz BZYDQIUPEHORKI-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437683015 1090220693 /nfs/dbraw/zinc/22/06/93/1090220693.db2.gz BZYDQIUPEHORKI-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437683015 1090220706 /nfs/dbraw/zinc/22/07/06/1090220706.db2.gz BZYDQIUPEHORKI-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437987592 1090582192 /nfs/dbraw/zinc/58/21/92/1090582192.db2.gz YVNPFNZBUDQLQH-JKSUJKDBSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001437987592 1090582194 /nfs/dbraw/zinc/58/21/94/1090582194.db2.gz YVNPFNZBUDQLQH-JKSUJKDBSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001437987592 1090582198 /nfs/dbraw/zinc/58/21/98/1090582198.db2.gz YVNPFNZBUDQLQH-JKSUJKDBSA-N 2 1 327.900 2.392 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001438525041 1091016865 /nfs/dbraw/zinc/01/68/65/1091016865.db2.gz XWKYXXHZEHYGKI-KSSFIOAISA-N 2 1 346.450 2.024 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830918 1091451647 /nfs/dbraw/zinc/45/16/47/1091451647.db2.gz AHEKEOLINPATRL-APWZRJJASA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439226080 1091871267 /nfs/dbraw/zinc/87/12/67/1091871267.db2.gz YZBCCZWWVOUOSU-UONOGXRCSA-N 2 1 334.489 2.088 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439345653 1092053575 /nfs/dbraw/zinc/05/35/75/1092053575.db2.gz XQQCKJVFKZFCLD-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439345653 1092053582 /nfs/dbraw/zinc/05/35/82/1092053582.db2.gz XQQCKJVFKZFCLD-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439345653 1092053592 /nfs/dbraw/zinc/05/35/92/1092053592.db2.gz XQQCKJVFKZFCLD-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001439345653 1092053598 /nfs/dbraw/zinc/05/35/98/1092053598.db2.gz XQQCKJVFKZFCLD-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001439606377 1092511996 /nfs/dbraw/zinc/51/19/96/1092511996.db2.gz DPIAGWJVTTYEDY-ZWKOTPCHSA-N 2 1 340.471 2.027 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001439606377 1092512009 /nfs/dbraw/zinc/51/20/09/1092512009.db2.gz DPIAGWJVTTYEDY-ZWKOTPCHSA-N 2 1 340.471 2.027 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001446329527 1092529747 /nfs/dbraw/zinc/52/97/47/1092529747.db2.gz JBFJKTPNDLPLTG-QGZVFWFLSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001446329527 1092529765 /nfs/dbraw/zinc/52/97/65/1092529765.db2.gz JBFJKTPNDLPLTG-QGZVFWFLSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001446329527 1092529778 /nfs/dbraw/zinc/52/97/78/1092529778.db2.gz JBFJKTPNDLPLTG-QGZVFWFLSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001446329527 1092529790 /nfs/dbraw/zinc/52/97/90/1092529790.db2.gz JBFJKTPNDLPLTG-QGZVFWFLSA-N 2 1 327.900 2.394 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448513837 1093541055 /nfs/dbraw/zinc/54/10/55/1093541055.db2.gz YKPQZEHLCXDWMF-JCNLHEQBSA-N 2 1 346.450 2.022 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440758955 1094001152 /nfs/dbraw/zinc/00/11/52/1094001152.db2.gz CYAPUOGUSQVSHN-UHFFFAOYSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001479696209 1098766567 /nfs/dbraw/zinc/76/65/67/1098766567.db2.gz USYGIQFLPAKCBH-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001479696209 1098766576 /nfs/dbraw/zinc/76/65/76/1098766576.db2.gz USYGIQFLPAKCBH-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001546227105 1098796548 /nfs/dbraw/zinc/79/65/48/1098796548.db2.gz ZSHHERMEEUHAOE-UHFFFAOYSA-N 2 1 336.867 2.148 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480077837 1099621457 /nfs/dbraw/zinc/62/14/57/1099621457.db2.gz BCINNKMXYAYYPO-QGZVFWFLSA-N 2 1 338.455 2.450 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480208375 1099815121 /nfs/dbraw/zinc/81/51/21/1099815121.db2.gz CLMDAASNJOUSOP-OTWHNJEPSA-N 2 1 340.471 2.169 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495858156 1101683105 /nfs/dbraw/zinc/68/31/05/1101683105.db2.gz ZZLRIDOXIPDGMT-KRWDZBQOSA-N 2 1 342.443 2.040 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001494862009 1104466455 /nfs/dbraw/zinc/46/64/55/1104466455.db2.gz GOBURQHMCKSMAD-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001494862009 1104466460 /nfs/dbraw/zinc/46/64/60/1104466460.db2.gz GOBURQHMCKSMAD-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862009 1104466462 /nfs/dbraw/zinc/46/64/62/1104466462.db2.gz GOBURQHMCKSMAD-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862009 1104466465 /nfs/dbraw/zinc/46/64/65/1104466465.db2.gz GOBURQHMCKSMAD-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197903 1107065763 /nfs/dbraw/zinc/06/57/63/1107065763.db2.gz ZUISGNBSPAWSNK-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001480770431 1107082199 /nfs/dbraw/zinc/08/21/99/1107082199.db2.gz DMRGWIYGJPVVCP-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001480770431 1107082214 /nfs/dbraw/zinc/08/22/14/1107082214.db2.gz DMRGWIYGJPVVCP-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001480792455 1107124445 /nfs/dbraw/zinc/12/44/45/1107124445.db2.gz NYAQYXBACQXPKO-CYBMUJFWSA-N 2 1 340.855 2.121 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CC[NH+](C)C ZINC001493008681 1107289569 /nfs/dbraw/zinc/28/95/69/1107289569.db2.gz GNWXEAWHKRJFHO-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CC[NH+](C)C ZINC001493008681 1107289577 /nfs/dbraw/zinc/28/95/77/1107289577.db2.gz GNWXEAWHKRJFHO-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001493841148 1108725607 /nfs/dbraw/zinc/72/56/07/1108725607.db2.gz RHEORCHLJSDXAQ-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001499477499 1112307216 /nfs/dbraw/zinc/30/72/16/1112307216.db2.gz DKSZBHCBNUWHPV-GOSISDBHSA-N 2 1 333.520 2.465 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001500573555 1112950206 /nfs/dbraw/zinc/95/02/06/1112950206.db2.gz FIKZNQKBAKOMQJ-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153952 1113217716 /nfs/dbraw/zinc/21/77/16/1113217716.db2.gz YQTCIRUCWPGYDK-QFBILLFUSA-N 2 1 342.487 2.083 10 30 EEEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001501200146 1113239218 /nfs/dbraw/zinc/23/92/18/1113239218.db2.gz RKCHESQJAOIFTQ-NRFANRHFSA-N 2 1 339.483 2.114 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001501578720 1113388937 /nfs/dbraw/zinc/38/89/37/1113388937.db2.gz NWKWYHUKKGTFBO-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC/C=C\CC)C1 ZINC001501578720 1113388939 /nfs/dbraw/zinc/38/89/39/1113388939.db2.gz NWKWYHUKKGTFBO-DSQZMVHQSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001505404803 1113941053 /nfs/dbraw/zinc/94/10/53/1113941053.db2.gz OWRJKRLSGFSXSR-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001506896994 1114957769 /nfs/dbraw/zinc/95/77/69/1114957769.db2.gz FRZPQCPMXCVGSM-BRWVUGGUSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC[C@@H](C)F)CC2)CC1 ZINC001506979594 1115028538 /nfs/dbraw/zinc/02/85/38/1115028538.db2.gz YBHOLKJBRGOZSR-MRXNPFEDSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001520505569 1119170912 /nfs/dbraw/zinc/17/09/12/1119170912.db2.gz WPLBNDVFLWVPOU-BBWFWOEESA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001520505569 1119170914 /nfs/dbraw/zinc/17/09/14/1119170914.db2.gz WPLBNDVFLWVPOU-BBWFWOEESA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001520505569 1119170916 /nfs/dbraw/zinc/17/09/16/1119170916.db2.gz WPLBNDVFLWVPOU-BBWFWOEESA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001520505569 1119170917 /nfs/dbraw/zinc/17/09/17/1119170917.db2.gz WPLBNDVFLWVPOU-BBWFWOEESA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001567838617 1124136702 /nfs/dbraw/zinc/13/67/02/1124136702.db2.gz GPCOUGBGMLPFMB-PBHICJAKSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001568441395 1124510924 /nfs/dbraw/zinc/51/09/24/1124510924.db2.gz YWWUOTRRAJYPHC-QZTJIDSGSA-N 2 1 333.520 2.443 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001568969093 1125006213 /nfs/dbraw/zinc/00/62/13/1125006213.db2.gz IABZFNGRDLWCNY-PLNGDYQASA-N 2 1 347.890 2.294 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cc1 ZINC000370516432 238259563 /nfs/dbraw/zinc/25/95/63/238259563.db2.gz CGNFQTGBKKUNPS-AWEZNQCLSA-N 2 1 337.427 2.394 10 30 EEEEMP C=CCC[C@H](C[N@@H+](C)CCOC)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072463888 216246878 /nfs/dbraw/zinc/24/68/78/216246878.db2.gz BRHCYEIKCCWVDX-MRXNPFEDSA-N 2 1 345.447 2.263 10 30 EEEEMP C=CCC[C@H](C[N@H+](C)CCOC)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072463888 216246882 /nfs/dbraw/zinc/24/68/82/216246882.db2.gz BRHCYEIKCCWVDX-MRXNPFEDSA-N 2 1 345.447 2.263 10 30 EEEEMP C#CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121134912 463085551 /nfs/dbraw/zinc/08/55/51/463085551.db2.gz HILSVSPDQPBXHH-QGZVFWFLSA-N 2 1 330.472 2.223 10 30 EEEEMP COC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325884 /nfs/dbraw/zinc/32/58/84/467325884.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP COC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325886 /nfs/dbraw/zinc/32/58/86/467325886.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP COC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325888 /nfs/dbraw/zinc/32/58/88/467325888.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594445177 468591419 /nfs/dbraw/zinc/59/14/19/468591419.db2.gz BCFCDAAWRMKWPH-HZPDHXFCSA-N 2 1 336.867 2.470 10 30 EEEEMP C[NH+]1CCC2(CC1)C[N@@H+](CCCOc1cccc(C#N)c1)CCO2 ZINC000592184012 468648237 /nfs/dbraw/zinc/64/82/37/468648237.db2.gz WXZPZXLUSKEWQT-UHFFFAOYSA-N 2 1 329.444 2.124 10 30 EEEEMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000086897849 526365998 /nfs/dbraw/zinc/36/59/98/526365998.db2.gz YLWIMFPBMYAZOT-HNNXBMFYSA-N 2 1 349.548 2.484 10 30 EEEEMP C#Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000376026665 527434060 /nfs/dbraw/zinc/43/40/60/527434060.db2.gz BQFSJGMMIJONGG-UHFFFAOYSA-N 2 1 339.483 2.044 10 30 EEEEMP C[NH+]=C(NCC1(CCO)CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262819194 688530398 /nfs/dbraw/zinc/53/03/98/688530398.db2.gz WMTVIHVCJBLGBR-ALOPSCKCSA-N 2 1 336.524 2.110 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001266544667 1176801759 /nfs/dbraw/zinc/80/17/59/1176801759.db2.gz FVZUZKSCWWRDAY-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001480904786 1177884308 /nfs/dbraw/zinc/88/43/08/1177884308.db2.gz LHKUFPJQQSAXEN-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001480904786 1177884312 /nfs/dbraw/zinc/88/43/12/1177884312.db2.gz LHKUFPJQQSAXEN-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2)C1 ZINC001480904786 1177884323 /nfs/dbraw/zinc/88/43/23/1177884323.db2.gz LHKUFPJQQSAXEN-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001480904786 1177884334 /nfs/dbraw/zinc/88/43/34/1177884334.db2.gz LHKUFPJQQSAXEN-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001267169799 1178390924 /nfs/dbraw/zinc/39/09/24/1178390924.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001267169799 1178390931 /nfs/dbraw/zinc/39/09/31/1178390931.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001267169799 1178390939 /nfs/dbraw/zinc/39/09/39/1178390939.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001267169799 1178390945 /nfs/dbraw/zinc/39/09/45/1178390945.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001267169799 1178390952 /nfs/dbraw/zinc/39/09/52/1178390952.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCCN(CC)CC#Cc1ccc(Cl)cc1 ZINC001267255283 1178622883 /nfs/dbraw/zinc/62/28/83/1178622883.db2.gz DPCJONZIHOLTHJ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC[NH+](CC)CC#Cc1ccc(Cl)cc1 ZINC001267255283 1178622885 /nfs/dbraw/zinc/62/28/85/1178622885.db2.gz DPCJONZIHOLTHJ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC001267255283 1178622893 /nfs/dbraw/zinc/62/28/93/1178622893.db2.gz DPCJONZIHOLTHJ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC001267255283 1178622898 /nfs/dbraw/zinc/62/28/98/1178622898.db2.gz DPCJONZIHOLTHJ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001267370477 1178871849 /nfs/dbraw/zinc/87/18/49/1178871849.db2.gz QNLFVOKRLKMSMF-GOSISDBHSA-N 2 1 329.488 2.435 10 30 EEEEMP C=C(Br)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267505710 1179208567 /nfs/dbraw/zinc/20/85/67/1179208567.db2.gz ILTALPRMJKGTCF-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267505710 1179208573 /nfs/dbraw/zinc/20/85/73/1179208573.db2.gz ILTALPRMJKGTCF-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001267505710 1179208578 /nfs/dbraw/zinc/20/85/78/1179208578.db2.gz ILTALPRMJKGTCF-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001267505710 1179208583 /nfs/dbraw/zinc/20/85/83/1179208583.db2.gz ILTALPRMJKGTCF-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)CC[NH+](C)C ZINC001267507195 1179211647 /nfs/dbraw/zinc/21/16/47/1179211647.db2.gz GUDJKHVUXGEHHD-UHFFFAOYSA-N 2 1 347.478 2.346 10 30 EEEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001267858368 1180642348 /nfs/dbraw/zinc/64/23/48/1180642348.db2.gz QZTLBIYJPUAZHX-MOPGFXCFSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001267989212 1180927716 /nfs/dbraw/zinc/92/77/16/1180927716.db2.gz IMVBDLSDLGKRKP-HKUYNNGSSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001267989212 1180927722 /nfs/dbraw/zinc/92/77/22/1180927722.db2.gz IMVBDLSDLGKRKP-HKUYNNGSSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001481979262 1183080259 /nfs/dbraw/zinc/08/02/59/1183080259.db2.gz ZLKIOTUFUDUJJG-IRXDYDNUSA-N 2 1 330.476 2.248 10 30 EEEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC[C@@H]1C ZINC001269677087 1184502372 /nfs/dbraw/zinc/50/23/72/1184502372.db2.gz NIMPCTQMLHWTBW-GHTZIAJQSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC[C@@H]1C ZINC001269677087 1184502376 /nfs/dbraw/zinc/50/23/76/1184502376.db2.gz NIMPCTQMLHWTBW-GHTZIAJQSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346005 1185035022 /nfs/dbraw/zinc/03/50/22/1185035022.db2.gz WGHGAYVBCIWUFH-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001270806103 1185405847 /nfs/dbraw/zinc/40/58/47/1185405847.db2.gz GJEDSQPIQWRCQT-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001482422761 1185667469 /nfs/dbraw/zinc/66/74/69/1185667469.db2.gz GXYKKBJESNQYDR-GDBMZVCRSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271099882 1185886806 /nfs/dbraw/zinc/88/68/06/1185886806.db2.gz GTISGJCSRDOMBY-MRXNPFEDSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001271645047 1186355932 /nfs/dbraw/zinc/35/59/32/1186355932.db2.gz LQDWZYACWBGSHY-DLBZAZTESA-N 2 1 333.520 2.489 10 30 EEEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110742 1187912729 /nfs/dbraw/zinc/91/27/29/1187912729.db2.gz DUJGUPCZVKRFRK-RDJZCZTQSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110742 1187912733 /nfs/dbraw/zinc/91/27/33/1187912733.db2.gz DUJGUPCZVKRFRK-RDJZCZTQSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001670939789 1193530201 /nfs/dbraw/zinc/53/02/01/1193530201.db2.gz MANSFVSIQRGISP-MVCQKVDPSA-N 2 1 349.519 2.033 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001670989054 1193539726 /nfs/dbraw/zinc/53/97/26/1193539726.db2.gz GNRQDIMALCWAPC-GOSISDBHSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001670989054 1193539728 /nfs/dbraw/zinc/53/97/28/1193539728.db2.gz GNRQDIMALCWAPC-GOSISDBHSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001670989054 1193539730 /nfs/dbraw/zinc/53/97/30/1193539730.db2.gz GNRQDIMALCWAPC-GOSISDBHSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1Cl ZINC001483470687 1190492903 /nfs/dbraw/zinc/49/29/03/1190492903.db2.gz BGNLDFWEAXJVEU-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1Cl ZINC001483470687 1190492904 /nfs/dbraw/zinc/49/29/04/1190492904.db2.gz BGNLDFWEAXJVEU-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001483972862 1191137231 /nfs/dbraw/zinc/13/72/31/1191137231.db2.gz ZSQJABRWDZXNSJ-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC001484693181 1191469082 /nfs/dbraw/zinc/46/90/82/1191469082.db2.gz DEJWUPMLVVTNLI-MOPGFXCFSA-N 2 1 345.487 2.073 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001484683423 1191469926 /nfs/dbraw/zinc/46/99/26/1191469926.db2.gz FIZVJCPEYOOVSV-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272966504 1194275538 /nfs/dbraw/zinc/27/55/38/1194275538.db2.gz IVEYABCEDLZOPA-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001273428524 1198811477 /nfs/dbraw/zinc/81/14/77/1198811477.db2.gz PGNTXYJEECWPIN-INIZCTEOSA-N 2 1 342.443 2.350 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000886576184 1202526249 /nfs/dbraw/zinc/52/62/49/1202526249.db2.gz ZKDHSZGFVUFHHI-LJQANCHMSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001274096854 1204369232 /nfs/dbraw/zinc/36/92/32/1204369232.db2.gz KDKWSJBSZORBMS-RTLBZRNLSA-N 2 1 343.446 2.016 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001274096854 1204369235 /nfs/dbraw/zinc/36/92/35/1204369235.db2.gz KDKWSJBSZORBMS-RTLBZRNLSA-N 2 1 343.446 2.016 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001274375270 1205013511 /nfs/dbraw/zinc/01/35/11/1205013511.db2.gz MZZIZLLAHQNJFA-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001280593265 1205210834 /nfs/dbraw/zinc/21/08/34/1205210834.db2.gz AECXPRWGUQIOGS-ROUUACIJSA-N 2 1 339.524 2.258 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001275573284 1205422315 /nfs/dbraw/zinc/42/23/15/1205422315.db2.gz AEQHGOJDADYRJF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001275573284 1205422316 /nfs/dbraw/zinc/42/23/16/1205422316.db2.gz AEQHGOJDADYRJF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001275573284 1205422317 /nfs/dbraw/zinc/42/23/17/1205422317.db2.gz AEQHGOJDADYRJF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001275573284 1205422318 /nfs/dbraw/zinc/42/23/18/1205422318.db2.gz AEQHGOJDADYRJF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001273446542 1278419363 /nfs/dbraw/zinc/41/93/63/1278419363.db2.gz RYYBGERWAGTUCC-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001273446542 1278419369 /nfs/dbraw/zinc/41/93/69/1278419369.db2.gz RYYBGERWAGTUCC-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001273446542 1278419374 /nfs/dbraw/zinc/41/93/74/1278419374.db2.gz RYYBGERWAGTUCC-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001489338014 1290521398 /nfs/dbraw/zinc/52/13/98/1290521398.db2.gz WAPDCPNCLKUVKQ-CQSZACIVSA-N 2 1 348.516 2.035 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001490773920 1291717830 /nfs/dbraw/zinc/71/78/30/1291717830.db2.gz DEUGLBXIKZPWER-KRWDZBQOSA-N 2 1 330.476 2.200 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001490773920 1291717834 /nfs/dbraw/zinc/71/78/34/1291717834.db2.gz DEUGLBXIKZPWER-KRWDZBQOSA-N 2 1 330.476 2.200 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001490773920 1291717839 /nfs/dbraw/zinc/71/78/39/1291717839.db2.gz DEUGLBXIKZPWER-KRWDZBQOSA-N 2 1 330.476 2.200 10 30 EEEEMP C[NH+](C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000852855834 1292216920 /nfs/dbraw/zinc/21/69/20/1292216920.db2.gz PDAYGDLGXDKORD-QGZVFWFLSA-N 2 1 333.863 2.062 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](C/C=C\Cl)CC1 ZINC001278194514 1306244580 /nfs/dbraw/zinc/24/45/80/1306244580.db2.gz OYESQXMUANPLHR-POHAHGRESA-N 2 1 339.911 2.397 10 30 EEEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550774 1317216462 /nfs/dbraw/zinc/21/64/62/1317216462.db2.gz ZBQIUOOONIKKCY-ROUUACIJSA-N 2 1 325.472 2.213 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667569 1317608329 /nfs/dbraw/zinc/60/83/29/1317608329.db2.gz RSAQXLGIFNXTJV-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001262019526 1322222557 /nfs/dbraw/zinc/22/25/57/1322222557.db2.gz USUREIFEGNVIOF-MOPGFXCFSA-N 2 1 334.504 2.239 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001264594118 1322744933 /nfs/dbraw/zinc/74/49/33/1322744933.db2.gz FFKYTFVYUTZCDU-ZIAGYGMSSA-N 2 1 335.414 2.131 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265397265 1323128665 /nfs/dbraw/zinc/12/86/65/1323128665.db2.gz VKEZOBLEWWCFNE-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001265978681 1323537801 /nfs/dbraw/zinc/53/78/01/1323537801.db2.gz URVKUFFTJZLKQC-YZGWKJHDSA-N 2 1 345.531 2.206 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)O2 ZINC001280929263 1324647208 /nfs/dbraw/zinc/64/72/08/1324647208.db2.gz CSMIQKYDOUOEKT-ZWKOTPCHSA-N 2 1 349.519 2.175 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281031342 1324730302 /nfs/dbraw/zinc/73/03/02/1324730302.db2.gz PDXJOEBGYZRRFO-ROUUACIJSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001282337993 1325694775 /nfs/dbraw/zinc/69/47/75/1325694775.db2.gz SDLVEQJAZMYHDK-SFHVURJKSA-N 2 1 329.488 2.387 10 30 EEEEMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001282973170 1325861833 /nfs/dbraw/zinc/86/18/33/1325861833.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001282973170 1325861836 /nfs/dbraw/zinc/86/18/36/1325861836.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001282973170 1325861838 /nfs/dbraw/zinc/86/18/38/1325861838.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283350686 1326024516 /nfs/dbraw/zinc/02/45/16/1326024516.db2.gz JWVMHQUVWXJKAC-FQEVSTJZSA-N 2 1 341.499 2.360 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316644570 1327592130 /nfs/dbraw/zinc/59/21/30/1327592130.db2.gz RYEATEXELHGXNI-IPMKNSEASA-N 2 1 329.488 2.487 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139559 1332095795 /nfs/dbraw/zinc/09/57/95/1332095795.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139559 1332095799 /nfs/dbraw/zinc/09/57/99/1332095799.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139559 1332095802 /nfs/dbraw/zinc/09/58/02/1332095802.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001317158795 1332104476 /nfs/dbraw/zinc/10/44/76/1332104476.db2.gz YPFWWSUCNGTKJN-INIZCTEOSA-N 2 1 346.475 2.288 10 30 EEEEMP 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ZINC001267602628 1179664135 /nfs/dbraw/zinc/66/41/35/1179664135.db2.gz HTCFEZJRBJQYSH-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001267602628 1179664138 /nfs/dbraw/zinc/66/41/38/1179664138.db2.gz HTCFEZJRBJQYSH-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001267750191 1180405598 /nfs/dbraw/zinc/40/55/98/1180405598.db2.gz YXDUGDCUUIACEI-WOJBJXKFSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001267750191 1180405604 /nfs/dbraw/zinc/40/56/04/1180405604.db2.gz YXDUGDCUUIACEI-WOJBJXKFSA-N 2 1 341.499 2.349 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001481539164 1181684550 /nfs/dbraw/zinc/68/45/50/1181684550.db2.gz BPUHXHIGXQLDIW-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268198405 1181993069 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332.448 2.041 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001269166113 1184020390 /nfs/dbraw/zinc/02/03/90/1184020390.db2.gz RNSXAHOYPIJMDX-OAHLLOKOSA-N 2 1 332.448 2.041 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270780843 1185385350 /nfs/dbraw/zinc/38/53/50/1185385350.db2.gz XDUXDZGWKDJNRR-APWZRJJASA-N 2 1 330.476 2.158 10 30 EEEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001271771967 1186473694 /nfs/dbraw/zinc/47/36/94/1186473694.db2.gz FFJHJWCBZIGDPE-IBGZPJMESA-N 2 1 333.520 2.465 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485824283 1193457726 /nfs/dbraw/zinc/45/77/26/1193457726.db2.gz JZWLKHDXJQUMAY-BPUTZDHNSA-N 2 1 327.900 2.296 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914818 1191114759 /nfs/dbraw/zinc/11/47/59/1191114759.db2.gz RMTCKNHEJVQHDS-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001484561306 1191416160 /nfs/dbraw/zinc/41/61/60/1191416160.db2.gz AFKZDFBKQVRSNG-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001484561306 1191416162 /nfs/dbraw/zinc/41/61/62/1191416162.db2.gz AFKZDFBKQVRSNG-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001485084673 1191647534 /nfs/dbraw/zinc/64/75/34/1191647534.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001485084673 1191647535 /nfs/dbraw/zinc/64/75/35/1191647535.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001485084673 1191647536 /nfs/dbraw/zinc/64/75/36/1191647536.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485483845 1191800078 /nfs/dbraw/zinc/80/00/78/1191800078.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485483845 1191800079 /nfs/dbraw/zinc/80/00/79/1191800079.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485483845 1191800081 /nfs/dbraw/zinc/80/00/81/1191800081.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485483845 1191800083 /nfs/dbraw/zinc/80/00/83/1191800083.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485483845 1191800085 /nfs/dbraw/zinc/80/00/85/1191800085.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000876837795 1199790993 /nfs/dbraw/zinc/79/09/93/1199790993.db2.gz FUSZTIYTUBIKNL-ZIAGYGMSSA-N 2 1 328.243 2.283 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886496 1217423255 /nfs/dbraw/zinc/42/32/55/1217423255.db2.gz YJCZEIQCGSPFGN-LBPRGKRZSA-N 2 1 328.382 2.035 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)C)C1 ZINC001267886997 1276746311 /nfs/dbraw/zinc/74/63/11/1276746311.db2.gz ZZIQDQXAPRCXLF-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)C)C1 ZINC001267886997 1276746325 /nfs/dbraw/zinc/74/63/25/1276746325.db2.gz ZZIQDQXAPRCXLF-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151766 1306113154 /nfs/dbraw/zinc/11/31/54/1306113154.db2.gz WYQHJESYGDPJNL-LJQANCHMSA-N 2 1 331.504 2.362 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278668289 1317612028 /nfs/dbraw/zinc/61/20/28/1317612028.db2.gz MXNOYZNNLQXJLL-LJQANCHMSA-N 2 1 349.519 2.036 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278747302 1317957938 /nfs/dbraw/zinc/95/79/38/1317957938.db2.gz KJVGHBSVLXVKOV-INIZCTEOSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001278918132 1318671110 /nfs/dbraw/zinc/67/11/10/1318671110.db2.gz OCAVMTDHHZKMLX-KRWDZBQOSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001278918132 1318671121 /nfs/dbraw/zinc/67/11/21/1318671121.db2.gz OCAVMTDHHZKMLX-KRWDZBQOSA-N 2 1 332.492 2.499 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032034 1322592739 /nfs/dbraw/zinc/59/27/39/1322592739.db2.gz GHJLJXVFJNGRIK-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265396513 1323126785 /nfs/dbraw/zinc/12/67/85/1323126785.db2.gz FIGPKYGARAKUJH-SFHVURJKSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265396513 1323126786 /nfs/dbraw/zinc/12/67/86/1323126786.db2.gz FIGPKYGARAKUJH-SFHVURJKSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401209 1323132192 /nfs/dbraw/zinc/13/21/92/1323132192.db2.gz NDJSRCJBOOEMIE-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266235155 1323818756 /nfs/dbraw/zinc/81/87/56/1323818756.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266235155 1323818761 /nfs/dbraw/zinc/81/87/61/1323818761.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266235155 1323818766 /nfs/dbraw/zinc/81/87/66/1323818766.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CCOCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001284846045 1326741642 /nfs/dbraw/zinc/74/16/42/1326741642.db2.gz HIORNWOUAOHXFN-SFHVURJKSA-N 2 1 349.519 2.034 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2ccccc2C#N)CC1 ZINC001284996390 1326818754 /nfs/dbraw/zinc/81/87/54/1326818754.db2.gz XASCYDIQIUSKMN-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2ccccc2C#N)CC1 ZINC001284996390 1326818756 /nfs/dbraw/zinc/81/87/56/1326818756.db2.gz XASCYDIQIUSKMN-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC001284996390 1326818758 /nfs/dbraw/zinc/81/87/58/1326818758.db2.gz XASCYDIQIUSKMN-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001284996390 1326818760 /nfs/dbraw/zinc/81/87/60/1326818760.db2.gz XASCYDIQIUSKMN-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578834 1330171715 /nfs/dbraw/zinc/17/17/15/1330171715.db2.gz HLESIZUDFWANJZ-HZPDHXFCSA-N 2 1 347.890 2.128 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001316713189 1331858735 /nfs/dbraw/zinc/85/87/35/1331858735.db2.gz QMOIEXNXCRINCY-QRVBRYPASA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317065368 1332066865 /nfs/dbraw/zinc/06/68/65/1332066865.db2.gz ORYVUUDNKXFGEA-RDJZCZTQSA-N 2 1 339.443 2.426 10 30 EEEEMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001317367955 1332198343 /nfs/dbraw/zinc/19/83/43/1332198343.db2.gz FCGCEMVKPCBILS-FQEVSTJZSA-N 2 1 327.472 2.107 10 30 EEEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461286 1332252947 /nfs/dbraw/zinc/25/29/47/1332252947.db2.gz KVMSKGBAHNURAD-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317461286 1332252948 /nfs/dbraw/zinc/25/29/48/1332252948.db2.gz KVMSKGBAHNURAD-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317461286 1332252950 /nfs/dbraw/zinc/25/29/50/1332252950.db2.gz KVMSKGBAHNURAD-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317680286 1332367969 /nfs/dbraw/zinc/36/79/69/1332367969.db2.gz HNWSYHWLYYQAJA-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317680286 1332367972 /nfs/dbraw/zinc/36/79/72/1332367972.db2.gz HNWSYHWLYYQAJA-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001318149625 1332479450 /nfs/dbraw/zinc/47/94/50/1332479450.db2.gz SGCINLUATCDGKE-IBGZPJMESA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C(C)C ZINC001319919034 1332797398 /nfs/dbraw/zinc/79/73/98/1332797398.db2.gz RGSMDLUUNMQGTE-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C(C)C ZINC001319919034 1332797402 /nfs/dbraw/zinc/79/74/02/1332797402.db2.gz RGSMDLUUNMQGTE-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001321095580 1333017935 /nfs/dbraw/zinc/01/79/35/1333017935.db2.gz DDDBRJZVRPZILX-PXPVJAHISA-N 2 1 340.471 2.195 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001321095580 1333017940 /nfs/dbraw/zinc/01/79/40/1333017940.db2.gz DDDBRJZVRPZILX-PXPVJAHISA-N 2 1 340.471 2.195 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1Cl ZINC001321418863 1333100542 /nfs/dbraw/zinc/10/05/42/1333100542.db2.gz KXFCIQZQKRPTKZ-SREVYHEPSA-N 2 1 347.890 2.294 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001322088817 1333207334 /nfs/dbraw/zinc/20/73/34/1333207334.db2.gz OWLCIZNPENNEIG-PKOBYXMFSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001323468315 1333469633 /nfs/dbraw/zinc/46/96/33/1333469633.db2.gz LIHNSZSVSJNLHQ-MOPGFXCFSA-N 2 1 339.483 2.474 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001323468315 1333469637 /nfs/dbraw/zinc/46/96/37/1333469637.db2.gz LIHNSZSVSJNLHQ-MOPGFXCFSA-N 2 1 339.483 2.474 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001324440286 1333684252 /nfs/dbraw/zinc/68/42/52/1333684252.db2.gz UHEYOLSPGLEDLD-UHFFFAOYSA-N 2 1 342.487 2.164 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325416202 1333882205 /nfs/dbraw/zinc/88/22/05/1333882205.db2.gz KWDRXYMFVMNOOV-CABCVRRESA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740808 1333950981 /nfs/dbraw/zinc/95/09/81/1333950981.db2.gz OMLBRXHEUZMZAG-ZJPYXAASSA-N 2 1 339.499 2.411 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225212 1334047985 /nfs/dbraw/zinc/04/79/85/1334047985.db2.gz SQSGAHXFUGVQMI-PBHICJAKSA-N 2 1 346.500 2.042 10 30 EEEEMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001326645987 1334132736 /nfs/dbraw/zinc/13/27/36/1334132736.db2.gz BQIOMQMKPHQGPJ-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001326645987 1334132739 /nfs/dbraw/zinc/13/27/39/1334132739.db2.gz BQIOMQMKPHQGPJ-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001326645987 1334132740 /nfs/dbraw/zinc/13/27/40/1334132740.db2.gz BQIOMQMKPHQGPJ-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001326645987 1334132743 /nfs/dbraw/zinc/13/27/43/1334132743.db2.gz BQIOMQMKPHQGPJ-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](CC)CC)cccc2C1 ZINC001326675610 1334140810 /nfs/dbraw/zinc/14/08/10/1334140810.db2.gz QAJFMDXXKAXMIE-HXUWFJFHSA-N 2 1 341.499 2.415 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001330243513 1334811144 /nfs/dbraw/zinc/81/11/44/1334811144.db2.gz GURYYQUNIPNPDG-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001330243513 1334811146 /nfs/dbraw/zinc/81/11/46/1334811146.db2.gz GURYYQUNIPNPDG-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001330243513 1334811149 /nfs/dbraw/zinc/81/11/49/1334811149.db2.gz GURYYQUNIPNPDG-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001330243513 1334811151 /nfs/dbraw/zinc/81/11/51/1334811151.db2.gz GURYYQUNIPNPDG-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001331920234 1335675945 /nfs/dbraw/zinc/67/59/45/1335675945.db2.gz WMDXZUXFNMKCDC-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001333121910 1335966939 /nfs/dbraw/zinc/96/69/39/1335966939.db2.gz WSAOQRYAHMRRMM-UHFFFAOYSA-N 2 1 329.488 2.316 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502532340 1342203507 /nfs/dbraw/zinc/20/35/07/1342203507.db2.gz OLBZDOJHQNRXDK-VQTJNVASSA-N 2 1 341.499 2.139 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502532340 1342203508 /nfs/dbraw/zinc/20/35/08/1342203508.db2.gz OLBZDOJHQNRXDK-VQTJNVASSA-N 2 1 341.499 2.139 10 30 EEEEMP CCCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001567726770 1342824747 /nfs/dbraw/zinc/82/47/47/1342824747.db2.gz VTRGXXDWLKLVPY-MSOLQXFVSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001567726770 1342824750 /nfs/dbraw/zinc/82/47/50/1342824750.db2.gz VTRGXXDWLKLVPY-MSOLQXFVSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001567726770 1342824763 /nfs/dbraw/zinc/82/47/63/1342824763.db2.gz VTRGXXDWLKLVPY-MSOLQXFVSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001567726770 1342824767 /nfs/dbraw/zinc/82/47/67/1342824767.db2.gz VTRGXXDWLKLVPY-MSOLQXFVSA-N 2 1 339.524 2.068 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740592 1342829414 /nfs/dbraw/zinc/82/94/14/1342829414.db2.gz BONGIONVYANFHY-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740592 1342829421 /nfs/dbraw/zinc/82/94/21/1342829421.db2.gz BONGIONVYANFHY-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567740592 1342829425 /nfs/dbraw/zinc/82/94/25/1342829425.db2.gz BONGIONVYANFHY-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567740592 1342829428 /nfs/dbraw/zinc/82/94/28/1342829428.db2.gz BONGIONVYANFHY-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001569587281 1342904127 /nfs/dbraw/zinc/90/41/27/1342904127.db2.gz MXEAMZBFEKLEIF-ZHALLVOQSA-N 2 1 333.520 2.299 10 30 EEEEMP C=CCC[N@@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001676052819 1357097483 /nfs/dbraw/zinc/09/74/83/1357097483.db2.gz XXJAXRJYEBNPSS-SFHVURJKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001676052819 1357097488 /nfs/dbraw/zinc/09/74/88/1357097488.db2.gz XXJAXRJYEBNPSS-SFHVURJKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001676052819 1357097493 /nfs/dbraw/zinc/09/74/93/1357097493.db2.gz XXJAXRJYEBNPSS-SFHVURJKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001676052819 1357097495 /nfs/dbraw/zinc/09/74/95/1357097495.db2.gz XXJAXRJYEBNPSS-SFHVURJKSA-N 2 1 345.491 2.289 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569859578 1342959650 /nfs/dbraw/zinc/95/96/50/1342959650.db2.gz AFQMMXFGCYLJEM-RDGPPVDQSA-N 2 1 333.520 2.489 10 30 EEEEMP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001571695317 1343276760 /nfs/dbraw/zinc/27/67/60/1343276760.db2.gz KEMFFWVYQYIJHU-IBGZPJMESA-N 2 1 340.471 2.147 10 30 EEEEMP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001571695317 1343276765 /nfs/dbraw/zinc/27/67/65/1343276765.db2.gz KEMFFWVYQYIJHU-IBGZPJMESA-N 2 1 340.471 2.147 10 30 EEEEMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001634641135 1352633210 /nfs/dbraw/zinc/63/32/10/1352633210.db2.gz XLAQPWKWAUBIRB-IBGZPJMESA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001634641135 1352633215 /nfs/dbraw/zinc/63/32/15/1352633215.db2.gz XLAQPWKWAUBIRB-IBGZPJMESA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001634641135 1352633218 /nfs/dbraw/zinc/63/32/18/1352633218.db2.gz XLAQPWKWAUBIRB-IBGZPJMESA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001634641135 1352633224 /nfs/dbraw/zinc/63/32/24/1352633224.db2.gz XLAQPWKWAUBIRB-IBGZPJMESA-N 2 1 344.503 2.402 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656728111 1354269035 /nfs/dbraw/zinc/26/90/35/1354269035.db2.gz YAWKQHAZJHJLDH-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656727597 1354269498 /nfs/dbraw/zinc/26/94/98/1354269498.db2.gz NILPNVWYWNPAAZ-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)CC2)CC1 ZINC001673406752 1354852397 /nfs/dbraw/zinc/85/23/97/1354852397.db2.gz IWPBRQLHPBJCBE-LJQANCHMSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877354 1354872020 /nfs/dbraw/zinc/87/20/20/1354872020.db2.gz CMMNMUJWSCJDNK-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877354 1354872024 /nfs/dbraw/zinc/87/20/24/1354872024.db2.gz CMMNMUJWSCJDNK-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001666350666 1355515763 /nfs/dbraw/zinc/51/57/63/1355515763.db2.gz GLSFMRAAKFKFMC-FQEVSTJZSA-N 2 1 335.451 2.329 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001671784729 1356414001 /nfs/dbraw/zinc/41/40/01/1356414001.db2.gz KSCGFMBSIKDEIA-MOPGFXCFSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001672994934 1356628437 /nfs/dbraw/zinc/62/84/37/1356628437.db2.gz NRYCYRYAXNQABI-WDSOQIARSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001674792277 1356896787 /nfs/dbraw/zinc/89/67/87/1356896787.db2.gz CJKMBHAUOFYVOK-KLAILNCOSA-N 2 1 330.476 2.389 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001675642198 1357025585 /nfs/dbraw/zinc/02/55/85/1357025585.db2.gz GFKHXRXPPMZGLP-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001675642198 1357025587 /nfs/dbraw/zinc/02/55/87/1357025587.db2.gz GFKHXRXPPMZGLP-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772111 1405052799 /nfs/dbraw/zinc/05/27/99/1405052799.db2.gz LQCPESJCTIBXHY-INIZCTEOSA-N 2 1 349.906 2.375 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001698956311 1405188164 /nfs/dbraw/zinc/18/81/64/1405188164.db2.gz SKHOLTDQGNHEHV-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001698956311 1405188166 /nfs/dbraw/zinc/18/81/66/1405188166.db2.gz SKHOLTDQGNHEHV-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001698956311 1405188172 /nfs/dbraw/zinc/18/81/72/1405188172.db2.gz SKHOLTDQGNHEHV-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC)C2)CC1 ZINC001699878876 1405545528 /nfs/dbraw/zinc/54/55/28/1405545528.db2.gz DEPVWWGTAABFDH-HXUWFJFHSA-N 2 1 333.520 2.350 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001699884033 1405549885 /nfs/dbraw/zinc/54/98/85/1405549885.db2.gz AJIMGILZPDDYNT-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912305171 788103124 /nfs/dbraw/zinc/10/31/24/788103124.db2.gz UFQVVLPYSYLKDH-LOTPSLMQSA-N 2 1 334.508 2.095 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912305171 788103128 /nfs/dbraw/zinc/10/31/28/788103128.db2.gz UFQVVLPYSYLKDH-LOTPSLMQSA-N 2 1 334.508 2.095 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566002277 1125496101 /nfs/dbraw/zinc/49/61/01/1125496101.db2.gz VVBGOZMXCQNRMH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001566002277 1125496103 /nfs/dbraw/zinc/49/61/03/1125496103.db2.gz VVBGOZMXCQNRMH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566002277 1125496106 /nfs/dbraw/zinc/49/61/06/1125496106.db2.gz VVBGOZMXCQNRMH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566002277 1125496108 /nfs/dbraw/zinc/49/61/08/1125496108.db2.gz VVBGOZMXCQNRMH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001437949097 1090546174 /nfs/dbraw/zinc/54/61/74/1090546174.db2.gz OITARJHAKAAIMB-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001439110300 1091754526 /nfs/dbraw/zinc/75/45/26/1091754526.db2.gz MAPVQRUWCQTKAB-KDOFPFPSSA-N 2 1 346.450 2.164 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001439110300 1091754534 /nfs/dbraw/zinc/75/45/34/1091754534.db2.gz MAPVQRUWCQTKAB-KDOFPFPSSA-N 2 1 346.450 2.164 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441144586 1094481712 /nfs/dbraw/zinc/48/17/12/1094481712.db2.gz ZQFLXCSCRYTONO-CABCVRRESA-N 2 1 348.516 2.336 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930717 1096119072 /nfs/dbraw/zinc/11/90/72/1096119072.db2.gz XHXDAPNSXXZLNA-ROUUACIJSA-N 2 1 349.906 2.398 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206119 1096491625 /nfs/dbraw/zinc/49/16/25/1096491625.db2.gz PFGORKNPOPOLNK-RBUKOAKNSA-N 2 1 342.487 2.415 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001479696207 1098765701 /nfs/dbraw/zinc/76/57/01/1098765701.db2.gz USYGIQFLPAKCBH-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001479696207 1098765711 /nfs/dbraw/zinc/76/57/11/1098765711.db2.gz USYGIQFLPAKCBH-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479735669 1098842141 /nfs/dbraw/zinc/84/21/41/1098842141.db2.gz YXURIYNXAZNGFC-DLBZAZTESA-N 2 1 339.911 2.394 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479735669 1098842154 /nfs/dbraw/zinc/84/21/54/1098842154.db2.gz YXURIYNXAZNGFC-DLBZAZTESA-N 2 1 339.911 2.394 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479739787 1098857063 /nfs/dbraw/zinc/85/70/63/1098857063.db2.gz MBIMGMHAXYAXFH-IBGZPJMESA-N 2 1 327.472 2.308 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189217 1099785757 /nfs/dbraw/zinc/78/57/57/1099785757.db2.gz LBOBKMRSRVJWMX-MOPGFXCFSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189217 1099785770 /nfs/dbraw/zinc/78/57/70/1099785770.db2.gz LBOBKMRSRVJWMX-MOPGFXCFSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001480478903 1100286211 /nfs/dbraw/zinc/28/62/11/1100286211.db2.gz BDZTYTAVCKNDRI-PBHICJAKSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001480478903 1100286214 /nfs/dbraw/zinc/28/62/14/1100286214.db2.gz BDZTYTAVCKNDRI-PBHICJAKSA-N 2 1 333.863 2.032 10 30 EEEEMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001495187785 1100864939 /nfs/dbraw/zinc/86/49/39/1100864939.db2.gz KZVTWIUVXULHNA-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001495211554 1100894340 /nfs/dbraw/zinc/89/43/40/1100894340.db2.gz ONZWOLSOSBKWPU-UHFFFAOYSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C(C)C ZINC001496568761 1101170128 /nfs/dbraw/zinc/17/01/28/1101170128.db2.gz CLGSOWHYKIGTRF-KBPBESRZSA-N 2 1 346.302 2.133 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C(C)C ZINC001496568761 1101170130 /nfs/dbraw/zinc/17/01/30/1101170130.db2.gz CLGSOWHYKIGTRF-KBPBESRZSA-N 2 1 346.302 2.133 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492362 /nfs/dbraw/zinc/49/23/62/1103492362.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492370 /nfs/dbraw/zinc/49/23/70/1103492370.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492381 /nfs/dbraw/zinc/49/23/81/1103492381.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903336 1103560169 /nfs/dbraw/zinc/56/01/69/1103560169.db2.gz DMGMOISAAFEWPN-ZIAGYGMSSA-N 2 1 334.439 2.022 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001480785281 1107113978 /nfs/dbraw/zinc/11/39/78/1107113978.db2.gz KUFVHPXGYYKFTP-MJGOQNOKSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498505944 1107649606 /nfs/dbraw/zinc/64/96/06/1107649606.db2.gz VOAJEOHSEAMLMO-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498505944 1107649615 /nfs/dbraw/zinc/64/96/15/1107649615.db2.gz VOAJEOHSEAMLMO-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001500002474 1112573561 /nfs/dbraw/zinc/57/35/61/1112573561.db2.gz JVQQMQZGPXJTFL-UHFFFAOYSA-N 2 1 337.508 2.036 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001500054604 1112595065 /nfs/dbraw/zinc/59/50/65/1112595065.db2.gz RPPBYJJOFQODIL-MRXNPFEDSA-N 2 1 325.472 2.003 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400381 1113344368 /nfs/dbraw/zinc/34/43/68/1113344368.db2.gz TXDAUYHIHDQECN-QZTJIDSGSA-N 2 1 328.460 2.060 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400381 1113344373 /nfs/dbraw/zinc/34/43/73/1113344373.db2.gz TXDAUYHIHDQECN-QZTJIDSGSA-N 2 1 328.460 2.060 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001503263357 1113882599 /nfs/dbraw/zinc/88/25/99/1113882599.db2.gz KNENHPDXKPWIEF-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001503263357 1113882603 /nfs/dbraw/zinc/88/26/03/1113882603.db2.gz KNENHPDXKPWIEF-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001568026554 1124237665 /nfs/dbraw/zinc/23/76/65/1124237665.db2.gz TYXXHBHJHHSOMQ-KXBFYZLASA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001568452807 1124518528 /nfs/dbraw/zinc/51/85/28/1124518528.db2.gz KANAHINVWRETQT-MOPGFXCFSA-N 2 1 331.504 2.315 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001568452807 1124518532 /nfs/dbraw/zinc/51/85/32/1124518532.db2.gz KANAHINVWRETQT-MOPGFXCFSA-N 2 1 331.504 2.315 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001569302731 1125219810 /nfs/dbraw/zinc/21/98/10/1125219810.db2.gz AZSIPQMSYUSNEL-HKUYNNGSSA-N 2 1 331.504 2.149 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000601817063 469039251 /nfs/dbraw/zinc/03/92/51/469039251.db2.gz LPCQKKSUZRYGKZ-HKUYNNGSSA-N 2 1 346.519 2.333 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876308 527631755 /nfs/dbraw/zinc/63/17/55/527631755.db2.gz FUJKQEHEOUQDKO-INIZCTEOSA-N 2 1 330.476 2.264 10 30 EEEEMP CCc1cnc(CNC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)s1 ZINC000262805168 688517952 /nfs/dbraw/zinc/51/79/52/688517952.db2.gz RZVISAYVTKBMGW-AGUYFDCRSA-N 2 1 335.521 2.386 10 30 EEEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905099038 694528770 /nfs/dbraw/zinc/52/87/70/694528770.db2.gz YDUQIPTUDIKBMQ-WOJBJXKFSA-N 2 1 332.488 2.491 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001670523517 1176864250 /nfs/dbraw/zinc/86/42/50/1176864250.db2.gz ZTSQXBNNFSBFBV-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939298 1177852950 /nfs/dbraw/zinc/85/29/50/1177852950.db2.gz FBMJXBLIUBKXPD-MJGOQNOKSA-N 2 1 327.472 2.005 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267522724 1179257469 /nfs/dbraw/zinc/25/74/69/1179257469.db2.gz KMPHZWFNYPDNCI-MJGOQNOKSA-N 2 1 327.472 2.331 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001267732007 1180325320 /nfs/dbraw/zinc/32/53/20/1180325320.db2.gz CSDHFSUGTGWXFO-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001267732007 1180325330 /nfs/dbraw/zinc/32/53/30/1180325330.db2.gz CSDHFSUGTGWXFO-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267732007 1180325338 /nfs/dbraw/zinc/32/53/38/1180325338.db2.gz CSDHFSUGTGWXFO-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267732007 1180325343 /nfs/dbraw/zinc/32/53/43/1180325343.db2.gz CSDHFSUGTGWXFO-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001267733120 1180327223 /nfs/dbraw/zinc/32/72/23/1180327223.db2.gz CPLCRFREKLRLDM-OOYWPUHTSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001267733120 1180327231 /nfs/dbraw/zinc/32/72/31/1180327231.db2.gz CPLCRFREKLRLDM-OOYWPUHTSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C/C=C\Cl)CC1 ZINC001267733120 1180327240 /nfs/dbraw/zinc/32/72/40/1180327240.db2.gz CPLCRFREKLRLDM-OOYWPUHTSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C/C=C\Cl)CC1 ZINC001267733120 1180327251 /nfs/dbraw/zinc/32/72/51/1180327251.db2.gz CPLCRFREKLRLDM-OOYWPUHTSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001267779987 1180517969 /nfs/dbraw/zinc/51/79/69/1180517969.db2.gz YEAKGMWQPRQNPP-OVKVCFKUSA-N 2 1 331.504 2.221 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268115838 1181761283 /nfs/dbraw/zinc/76/12/83/1181761283.db2.gz YVTWMVDPIWDEAO-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001268488059 1182968685 /nfs/dbraw/zinc/96/86/85/1182968685.db2.gz ONJWQKSREVELPP-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482051990 1183248320 /nfs/dbraw/zinc/24/83/20/1183248320.db2.gz WBZRXWIGACXSLE-IBGZPJMESA-N 2 1 327.472 2.141 10 30 EEEEMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482109679 1183339253 /nfs/dbraw/zinc/33/92/53/1183339253.db2.gz HIASCWMBTBIYMQ-TZMCWYRMSA-N 2 1 346.313 2.111 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753644 1183669757 /nfs/dbraw/zinc/66/97/57/1183669757.db2.gz VWONDWAIGJLFSU-IEBWSBKVSA-N 2 1 329.488 2.061 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753644 1183669760 /nfs/dbraw/zinc/66/97/60/1183669760.db2.gz VWONDWAIGJLFSU-IEBWSBKVSA-N 2 1 329.488 2.061 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001270296613 1184997126 /nfs/dbraw/zinc/99/71/26/1184997126.db2.gz RNSJVLOTPLTKFK-GOSISDBHSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001482397764 1185607210 /nfs/dbraw/zinc/60/72/10/1185607210.db2.gz DMZWBTBRBXJVHL-MRXNPFEDSA-N 2 1 327.432 2.187 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001271645050 1186356112 /nfs/dbraw/zinc/35/61/12/1186356112.db2.gz LQDWZYACWBGSHY-IRXDYDNUSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001482665320 1187543603 /nfs/dbraw/zinc/54/36/03/1187543603.db2.gz JGHPPFQPIREMIM-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP CC#CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001670980785 1193538110 /nfs/dbraw/zinc/53/81/10/1193538110.db2.gz ZXHOGHKWZHLWCZ-UHFFFAOYSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001670980785 1193538113 /nfs/dbraw/zinc/53/81/13/1193538113.db2.gz ZXHOGHKWZHLWCZ-UHFFFAOYSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279156797 1193551673 /nfs/dbraw/zinc/55/16/73/1193551673.db2.gz YJWBPWPORJYYRA-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001483583369 1190570449 /nfs/dbraw/zinc/57/04/49/1190570449.db2.gz LTRZMJBOXSFCTC-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742434 /nfs/dbraw/zinc/74/24/34/1190742434.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742436 /nfs/dbraw/zinc/74/24/36/1190742436.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742439 /nfs/dbraw/zinc/74/24/39/1190742439.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001272456501 1190831538 /nfs/dbraw/zinc/83/15/38/1190831538.db2.gz GILTZBBOOPFYFL-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001483812432 1191056768 /nfs/dbraw/zinc/05/67/68/1191056768.db2.gz KBDLCNCFKFYJNM-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483942437 1191125645 /nfs/dbraw/zinc/12/56/45/1191125645.db2.gz NAKNNNAQNOVCQV-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001484093219 1191207441 /nfs/dbraw/zinc/20/74/41/1191207441.db2.gz FOHZITPISDQOOD-XLIONFOSSA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001484982844 1191600772 /nfs/dbraw/zinc/60/07/72/1191600772.db2.gz NWEYACHNWRMWDO-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001484982844 1191600774 /nfs/dbraw/zinc/60/07/74/1191600774.db2.gz NWEYACHNWRMWDO-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389266 1191775687 /nfs/dbraw/zinc/77/56/87/1191775687.db2.gz RZSYCIBXSXHARZ-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389266 1191775689 /nfs/dbraw/zinc/77/56/89/1191775689.db2.gz RZSYCIBXSXHARZ-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001485389266 1191775691 /nfs/dbraw/zinc/77/56/91/1191775691.db2.gz RZSYCIBXSXHARZ-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001485389266 1191775694 /nfs/dbraw/zinc/77/56/94/1191775694.db2.gz RZSYCIBXSXHARZ-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001486476846 1193990235 /nfs/dbraw/zinc/99/02/35/1193990235.db2.gz QCZHNSCHBVVVAK-GTPINHCMSA-N 2 1 330.476 2.299 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272977045 1194285670 /nfs/dbraw/zinc/28/56/70/1194285670.db2.gz JFFILVDEPRDDSO-HBFSDRIKSA-N 2 1 341.499 2.253 10 30 EEEEMP COc1cc(C#N)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786297 1197903168 /nfs/dbraw/zinc/90/31/68/1197903168.db2.gz XMMHOVNYJUDENN-MQVJKMGUSA-N 2 1 328.416 2.438 10 30 EEEEMP COc1cc(C#N)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786297 1197903175 /nfs/dbraw/zinc/90/31/75/1197903175.db2.gz XMMHOVNYJUDENN-MQVJKMGUSA-N 2 1 328.416 2.438 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876767324 1199765077 /nfs/dbraw/zinc/76/50/77/1199765077.db2.gz GPQHHFQUHQDIGP-XOKHGSTOSA-N 2 1 335.879 2.483 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666481 1201574372 /nfs/dbraw/zinc/57/43/72/1201574372.db2.gz SPYNHNVBTAKKMO-BZSNNMDCSA-N 2 1 327.428 2.094 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666481 1201574375 /nfs/dbraw/zinc/57/43/75/1201574375.db2.gz SPYNHNVBTAKKMO-BZSNNMDCSA-N 2 1 327.428 2.094 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720764 1205498762 /nfs/dbraw/zinc/49/87/62/1205498762.db2.gz MOCAAUNBIWPCAR-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720764 1205498763 /nfs/dbraw/zinc/49/87/63/1205498763.db2.gz MOCAAUNBIWPCAR-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720764 1205498764 /nfs/dbraw/zinc/49/87/64/1205498764.db2.gz MOCAAUNBIWPCAR-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275720764 1205498765 /nfs/dbraw/zinc/49/87/65/1205498765.db2.gz MOCAAUNBIWPCAR-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000926661168 1206235990 /nfs/dbraw/zinc/23/59/90/1206235990.db2.gz MAJSAEOUKXYQCC-PMSBKCLSSA-N 2 1 338.499 2.452 10 30 EEEEMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673949 1291557968 /nfs/dbraw/zinc/55/79/68/1291557968.db2.gz NANCWDKPDWWWKY-FQEVSTJZSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001277473555 1303560737 /nfs/dbraw/zinc/56/07/37/1303560737.db2.gz GFDVFUQXBBASQD-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001277473555 1303560739 /nfs/dbraw/zinc/56/07/39/1303560739.db2.gz GFDVFUQXBBASQD-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001277473555 1303560741 /nfs/dbraw/zinc/56/07/41/1303560741.db2.gz GFDVFUQXBBASQD-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001277473555 1303560743 /nfs/dbraw/zinc/56/07/43/1303560743.db2.gz GFDVFUQXBBASQD-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001263887350 1322547115 /nfs/dbraw/zinc/54/71/15/1322547115.db2.gz SFHCRZVNWYRZOV-VQTJNVASSA-N 2 1 339.483 2.080 10 30 EEEEMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001263887350 1322547119 /nfs/dbraw/zinc/54/71/19/1322547119.db2.gz SFHCRZVNWYRZOV-VQTJNVASSA-N 2 1 339.483 2.080 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001264726356 1322793881 /nfs/dbraw/zinc/79/38/81/1322793881.db2.gz RMRMYGNMPTYJJD-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001264726356 1322793884 /nfs/dbraw/zinc/79/38/84/1322793884.db2.gz RMRMYGNMPTYJJD-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001264726356 1322793887 /nfs/dbraw/zinc/79/38/87/1322793887.db2.gz RMRMYGNMPTYJJD-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001264726356 1322793888 /nfs/dbraw/zinc/79/38/88/1322793888.db2.gz RMRMYGNMPTYJJD-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235978 1323002946 /nfs/dbraw/zinc/00/29/46/1323002946.db2.gz ZTTDTZWTDQHVPY-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074627 1323630241 /nfs/dbraw/zinc/63/02/41/1323630241.db2.gz CAFKOOBFXZGZNT-PMACEKPBSA-N 2 1 341.499 2.397 10 30 EEEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001266082060 1323639158 /nfs/dbraw/zinc/63/91/58/1323639158.db2.gz BETCYNRKZMYJFS-HNNXBMFYSA-N 2 1 338.883 2.335 10 30 EEEEMP C=C(Cl)CN(CC)CCCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001266082060 1323639163 /nfs/dbraw/zinc/63/91/63/1323639163.db2.gz BETCYNRKZMYJFS-HNNXBMFYSA-N 2 1 338.883 2.335 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682678 1325398218 /nfs/dbraw/zinc/39/82/18/1325398218.db2.gz LMCRWHVWYGOZCS-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682678 1325398225 /nfs/dbraw/zinc/39/82/25/1325398225.db2.gz LMCRWHVWYGOZCS-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682678 1325398229 /nfs/dbraw/zinc/39/82/29/1325398229.db2.gz LMCRWHVWYGOZCS-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682680 1325399759 /nfs/dbraw/zinc/39/97/59/1325399759.db2.gz LMCRWHVWYGOZCS-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682680 1325399765 /nfs/dbraw/zinc/39/97/65/1325399765.db2.gz LMCRWHVWYGOZCS-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682680 1325399771 /nfs/dbraw/zinc/39/97/71/1325399771.db2.gz LMCRWHVWYGOZCS-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001281967522 1325542556 /nfs/dbraw/zinc/54/25/56/1325542556.db2.gz HUNDBVNCUGAQRX-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001283334699 1326015989 /nfs/dbraw/zinc/01/59/89/1326015989.db2.gz LTQKJGPJRWNBJE-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683249 1330204799 /nfs/dbraw/zinc/20/47/99/1330204799.db2.gz RDDNCHGUEBXMLF-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001317365592 1332197109 /nfs/dbraw/zinc/19/71/09/1332197109.db2.gz DOOFPAQQMHPWKR-FQEVSTJZSA-N 2 1 341.499 2.333 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001317882570 1332440701 /nfs/dbraw/zinc/44/07/01/1332440701.db2.gz QUEZDXIHIQSYMK-UHFFFAOYSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[NH2+]C[C@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CC1 ZINC001318698078 1332579776 /nfs/dbraw/zinc/57/97/76/1332579776.db2.gz GSEXEFSEEIUNDQ-BEFAXECRSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C ZINC001320449424 1332886733 /nfs/dbraw/zinc/88/67/33/1332886733.db2.gz AONQTQRMDZVZQG-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C ZINC001320449424 1332886735 /nfs/dbraw/zinc/88/67/35/1332886735.db2.gz AONQTQRMDZVZQG-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001325056385 1333820430 /nfs/dbraw/zinc/82/04/30/1333820430.db2.gz ZANYNGZVMAWAND-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325056385 1333820434 /nfs/dbraw/zinc/82/04/34/1333820434.db2.gz ZANYNGZVMAWAND-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325056385 1333820439 /nfs/dbraw/zinc/82/04/39/1333820439.db2.gz ZANYNGZVMAWAND-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccccc1CC ZINC001325363091 1333872524 /nfs/dbraw/zinc/87/25/24/1333872524.db2.gz PMMUOIYLGQQAOA-OALUTQOASA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccccc1CC ZINC001325363091 1333872528 /nfs/dbraw/zinc/87/25/28/1333872528.db2.gz PMMUOIYLGQQAOA-OALUTQOASA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001567183807 1342706772 /nfs/dbraw/zinc/70/67/72/1342706772.db2.gz PIBGWDKQVLROAL-HXUWFJFHSA-N 2 1 341.499 2.331 10 30 EEEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884032 1342968844 /nfs/dbraw/zinc/96/88/44/1342968844.db2.gz MSSPKUKMNSLRES-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884032 1342968848 /nfs/dbraw/zinc/96/88/48/1342968848.db2.gz MSSPKUKMNSLRES-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884032 1342968853 /nfs/dbraw/zinc/96/88/53/1342968853.db2.gz MSSPKUKMNSLRES-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884032 1342968856 /nfs/dbraw/zinc/96/88/56/1342968856.db2.gz MSSPKUKMNSLRES-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176904 1343025043 /nfs/dbraw/zinc/02/50/43/1343025043.db2.gz ARINHFLNOSHXAR-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176904 1343025048 /nfs/dbraw/zinc/02/50/48/1343025048.db2.gz ARINHFLNOSHXAR-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC001570227052 1343037150 /nfs/dbraw/zinc/03/71/50/1343037150.db2.gz JOHYOAWSIIDIRG-SFHVURJKSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC001570227052 1343037155 /nfs/dbraw/zinc/03/71/55/1343037155.db2.gz JOHYOAWSIIDIRG-SFHVURJKSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC=C)CC1(C)C ZINC001570393968 1343064266 /nfs/dbraw/zinc/06/42/66/1343064266.db2.gz TWJPIUFFOABWNG-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC=C)CC1(C)C ZINC001570393968 1343064270 /nfs/dbraw/zinc/06/42/70/1343064270.db2.gz TWJPIUFFOABWNG-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC=C)CC1(C)C ZINC001570393968 1343064275 /nfs/dbraw/zinc/06/42/75/1343064275.db2.gz TWJPIUFFOABWNG-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC=C)CC1(C)C ZINC001570393968 1343064277 /nfs/dbraw/zinc/06/42/77/1343064277.db2.gz TWJPIUFFOABWNG-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001676837308 1357216967 /nfs/dbraw/zinc/21/69/67/1357216967.db2.gz GQFNLJRTPPWCJE-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001629151465 1352549021 /nfs/dbraw/zinc/54/90/21/1352549021.db2.gz JQLCOGNOJJKNGQ-HNNXBMFYSA-N 2 1 331.460 2.464 10 30 EEEEMP CC[C@@H](C(=O)NCCC[N@@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001660589287 1354494976 /nfs/dbraw/zinc/49/49/76/1354494976.db2.gz OLEQHLITRNJSKS-IBGZPJMESA-N 2 1 329.488 2.207 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCCC=C)C2)CC1 ZINC001664858408 1355244239 /nfs/dbraw/zinc/24/42/39/1355244239.db2.gz FRGYVMIACQCTRI-SFHVURJKSA-N 2 1 331.504 2.078 10 30 EEEEMP C=CCCC[N@@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001667570431 1355761410 /nfs/dbraw/zinc/76/14/10/1355761410.db2.gz JORYXPFNGWBCPY-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[N@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001667570431 1355761414 /nfs/dbraw/zinc/76/14/14/1355761414.db2.gz JORYXPFNGWBCPY-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001667570431 1355761416 /nfs/dbraw/zinc/76/14/16/1355761416.db2.gz JORYXPFNGWBCPY-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001667570431 1355761419 /nfs/dbraw/zinc/76/14/19/1355761419.db2.gz JORYXPFNGWBCPY-QGZVFWFLSA-N 2 1 333.480 2.146 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001669317321 1356143984 /nfs/dbraw/zinc/14/39/84/1356143984.db2.gz UVFWJXIDPVJHIP-LMMKCTJWSA-N 2 1 327.472 2.248 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001669317321 1356143987 /nfs/dbraw/zinc/14/39/87/1356143987.db2.gz UVFWJXIDPVJHIP-LMMKCTJWSA-N 2 1 327.472 2.248 10 30 EEEEMP CC#CC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001673079788 1356644267 /nfs/dbraw/zinc/64/42/67/1356644267.db2.gz OLFFSVAXHVGPCV-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001673079788 1356644271 /nfs/dbraw/zinc/64/42/71/1356644271.db2.gz OLFFSVAXHVGPCV-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP CC#CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001673079788 1356644273 /nfs/dbraw/zinc/64/42/73/1356644273.db2.gz OLFFSVAXHVGPCV-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674429278 1356830405 /nfs/dbraw/zinc/83/04/05/1356830405.db2.gz CSZCYOSSCOQWPZ-QXAKKESOSA-N 2 1 327.472 2.276 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C(C)C ZINC001681567417 1358033530 /nfs/dbraw/zinc/03/35/30/1358033530.db2.gz FAQWKOOOTHBNKL-FCGDIQPGSA-N 2 1 348.535 2.324 10 30 EEEEMP N#Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000921981390 798551262 /nfs/dbraw/zinc/55/12/62/798551262.db2.gz TWLKRQLPPBFVMO-QGZVFWFLSA-N 2 1 327.453 2.476 10 30 EEEEMP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001437380067 1089626724 /nfs/dbraw/zinc/62/67/24/1089626724.db2.gz OHJIQDWICPHQDM-CABCVRRESA-N 2 1 348.516 2.479 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001439323809 1091999254 /nfs/dbraw/zinc/99/92/54/1091999254.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001439323809 1091999259 /nfs/dbraw/zinc/99/92/59/1091999259.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001439323809 1091999263 /nfs/dbraw/zinc/99/92/63/1091999263.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413434 1092181847 /nfs/dbraw/zinc/18/18/47/1092181847.db2.gz YROOAYRRBHAMCI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413434 1092181853 /nfs/dbraw/zinc/18/18/53/1092181853.db2.gz YROOAYRRBHAMCI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001439413434 1092181861 /nfs/dbraw/zinc/18/18/61/1092181861.db2.gz YROOAYRRBHAMCI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001439413434 1092181869 /nfs/dbraw/zinc/18/18/69/1092181869.db2.gz YROOAYRRBHAMCI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930707 1096118809 /nfs/dbraw/zinc/11/88/09/1096118809.db2.gz XHXDAPNSXXZLNA-QZTJIDSGSA-N 2 1 349.906 2.398 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1)CC(C)(C)C ZINC001479796227 1099010641 /nfs/dbraw/zinc/01/06/41/1099010641.db2.gz DIEPXMIKUZINFF-UHFFFAOYSA-N 2 1 343.515 2.454 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001479796227 1099010653 /nfs/dbraw/zinc/01/06/53/1099010653.db2.gz DIEPXMIKUZINFF-UHFFFAOYSA-N 2 1 343.515 2.454 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001479796227 1099010661 /nfs/dbraw/zinc/01/06/61/1099010661.db2.gz DIEPXMIKUZINFF-UHFFFAOYSA-N 2 1 343.515 2.454 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001496415224 1101008759 /nfs/dbraw/zinc/00/87/59/1101008759.db2.gz NZSIKONSRUKNPI-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(CC)c1 ZINC001497402908 1102435005 /nfs/dbraw/zinc/43/50/05/1102435005.db2.gz FDIFENUCXAVLAC-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(CC)c1 ZINC001497402908 1102435009 /nfs/dbraw/zinc/43/50/09/1102435009.db2.gz FDIFENUCXAVLAC-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1sccc1Cl ZINC001497829633 1103161911 /nfs/dbraw/zinc/16/19/11/1103161911.db2.gz HNWTWCFBFIBQHF-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1sccc1Cl ZINC001497829633 1103161916 /nfs/dbraw/zinc/16/19/16/1103161916.db2.gz HNWTWCFBFIBQHF-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022545 1103369792 /nfs/dbraw/zinc/36/97/92/1103369792.db2.gz VGCHFKQYMOOSDI-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494022545 1103369803 /nfs/dbraw/zinc/36/98/03/1103369803.db2.gz VGCHFKQYMOOSDI-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494022545 1103369810 /nfs/dbraw/zinc/36/98/10/1103369810.db2.gz VGCHFKQYMOOSDI-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001480715489 1106945747 /nfs/dbraw/zinc/94/57/47/1106945747.db2.gz ZKHNQSWDBBDTMG-PMACEKPBSA-N 2 1 339.483 2.085 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001461550677 1110344973 /nfs/dbraw/zinc/34/49/73/1110344973.db2.gz LZIQVLYGNYIHAU-UHFFFAOYSA-N 2 1 327.472 2.144 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001461550677 1110344976 /nfs/dbraw/zinc/34/49/76/1110344976.db2.gz LZIQVLYGNYIHAU-UHFFFAOYSA-N 2 1 327.472 2.144 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001500037621 1112588028 /nfs/dbraw/zinc/58/80/28/1112588028.db2.gz JLBXKKCJINKFBD-IEBWSBKVSA-N 2 1 331.504 2.219 10 30 EEEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001501172153 1113227047 /nfs/dbraw/zinc/22/70/47/1113227047.db2.gz QCHXEPGXCOSSKV-BCDXTJNWSA-N 2 1 331.504 2.408 10 30 EEEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001506477330 1114636996 /nfs/dbraw/zinc/63/69/96/1114636996.db2.gz BRWPNRMWSARWBM-HKUYNNGSSA-N 2 1 344.503 2.240 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)CC[NH+](C)C ZINC001507831291 1115354210 /nfs/dbraw/zinc/35/42/10/1115354210.db2.gz INLMLAVCGCBOKE-UHFFFAOYSA-N 2 1 348.466 2.318 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001568072057 1124277036 /nfs/dbraw/zinc/27/70/36/1124277036.db2.gz IBTJUTPLWGANSX-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000066533627 215050807 /nfs/dbraw/zinc/05/08/07/215050807.db2.gz RCHARWNNBDHQHP-UHFFFAOYSA-N 2 1 326.444 2.447 10 30 EEEEMP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594435419 468585831 /nfs/dbraw/zinc/58/58/31/468585831.db2.gz DVQVIVVECNYHKK-ZWKOTPCHSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602583717 469371650 /nfs/dbraw/zinc/37/16/50/469371650.db2.gz RVFRMFXVNNFQMM-NZSAHSFTSA-N 2 1 342.487 2.282 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262379433 679420087 /nfs/dbraw/zinc/42/00/87/679420087.db2.gz KECZCICREBAIHM-YYIAUSFCSA-N 2 1 336.524 2.182 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000914331092 683502581 /nfs/dbraw/zinc/50/25/81/683502581.db2.gz JJXMWBOMBWUDEL-CALCHBBNSA-N 2 1 348.535 2.140 10 30 EEEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262443715 686104004 /nfs/dbraw/zinc/10/40/04/686104004.db2.gz IFEOORJZRNFJHC-MRXNPFEDSA-N 2 1 346.523 2.049 10 30 EEEEMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001485557421 1191835276 /nfs/dbraw/zinc/83/52/76/1191835276.db2.gz ALVWVHOTVRRTNK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557421 1191835277 /nfs/dbraw/zinc/83/52/77/1191835277.db2.gz ALVWVHOTVRRTNK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557421 1191835278 /nfs/dbraw/zinc/83/52/78/1191835278.db2.gz ALVWVHOTVRRTNK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485656115 1191874293 /nfs/dbraw/zinc/87/42/93/1191874293.db2.gz BXILHXIBVUSRGL-FHWLQOOXSA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001691159904 1177655415 /nfs/dbraw/zinc/65/54/15/1177655415.db2.gz NOLVJIXYVNQMPB-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691159904 1177655422 /nfs/dbraw/zinc/65/54/22/1177655422.db2.gz NOLVJIXYVNQMPB-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691159904 1177655425 /nfs/dbraw/zinc/65/54/25/1177655425.db2.gz NOLVJIXYVNQMPB-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(CCC)cc1 ZINC001267199984 1178483158 /nfs/dbraw/zinc/48/31/58/1178483158.db2.gz AIBXEFFGZKMNFJ-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(CCC)cc1 ZINC001267199984 1178483165 /nfs/dbraw/zinc/48/31/65/1178483165.db2.gz AIBXEFFGZKMNFJ-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(CCC)cc1 ZINC001267199984 1178483172 /nfs/dbraw/zinc/48/31/72/1178483172.db2.gz AIBXEFFGZKMNFJ-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(CCC)cc1 ZINC001267199984 1178483182 /nfs/dbraw/zinc/48/31/82/1178483182.db2.gz AIBXEFFGZKMNFJ-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001480951703 1179123834 /nfs/dbraw/zinc/12/38/34/1179123834.db2.gz KILMDIPYIVCSIM-KRWDZBQOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001480951703 1179123836 /nfs/dbraw/zinc/12/38/36/1179123836.db2.gz KILMDIPYIVCSIM-KRWDZBQOSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001267536115 1179297862 /nfs/dbraw/zinc/29/78/62/1179297862.db2.gz MOKBSHNAFDCZNF-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267536115 1179297865 /nfs/dbraw/zinc/29/78/65/1179297865.db2.gz MOKBSHNAFDCZNF-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001267536115 1179297869 /nfs/dbraw/zinc/29/78/69/1179297869.db2.gz MOKBSHNAFDCZNF-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001267536115 1179297873 /nfs/dbraw/zinc/29/78/73/1179297873.db2.gz MOKBSHNAFDCZNF-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001481059780 1179651815 /nfs/dbraw/zinc/65/18/15/1179651815.db2.gz PIKJLEHCIFNRPH-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001481059780 1179651822 /nfs/dbraw/zinc/65/18/22/1179651822.db2.gz PIKJLEHCIFNRPH-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001481059780 1179651826 /nfs/dbraw/zinc/65/18/26/1179651826.db2.gz PIKJLEHCIFNRPH-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481120045 1179799975 /nfs/dbraw/zinc/79/99/75/1179799975.db2.gz WEMOEXRKRMLAIB-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120045 1179799979 /nfs/dbraw/zinc/79/99/79/1179799979.db2.gz WEMOEXRKRMLAIB-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120045 1179799981 /nfs/dbraw/zinc/79/99/81/1179799981.db2.gz WEMOEXRKRMLAIB-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267758605 1180426433 /nfs/dbraw/zinc/42/64/33/1180426433.db2.gz NVOZOUPEUMXNPS-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481781346 1182693389 /nfs/dbraw/zinc/69/33/89/1182693389.db2.gz VZNDIKLMUPTOMZ-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481781346 1182693395 /nfs/dbraw/zinc/69/33/95/1182693395.db2.gz VZNDIKLMUPTOMZ-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001481781346 1182693400 /nfs/dbraw/zinc/69/34/00/1182693400.db2.gz VZNDIKLMUPTOMZ-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001481781346 1182693404 /nfs/dbraw/zinc/69/34/04/1182693404.db2.gz VZNDIKLMUPTOMZ-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268629948 1183554231 /nfs/dbraw/zinc/55/42/31/1183554231.db2.gz BDXOPANWKHXBFU-LAQIPUCWSA-N 2 1 346.500 2.256 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268631266 1183557329 /nfs/dbraw/zinc/55/73/29/1183557329.db2.gz ZPNPZILEIXVZMY-OVKVCFKUSA-N 2 1 340.471 2.195 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268631266 1183557333 /nfs/dbraw/zinc/55/73/33/1183557333.db2.gz ZPNPZILEIXVZMY-OVKVCFKUSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC001268798972 1183719170 /nfs/dbraw/zinc/71/91/70/1183719170.db2.gz RWJXKKOZWYXTID-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC001268798972 1183719175 /nfs/dbraw/zinc/71/91/75/1183719175.db2.gz RWJXKKOZWYXTID-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945491 1183836990 /nfs/dbraw/zinc/83/69/90/1183836990.db2.gz DTSZASBAIJWXTK-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648915 1185264033 /nfs/dbraw/zinc/26/40/33/1185264033.db2.gz KITKSXWQDDAQIW-AZUAARDMSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648915 1185264035 /nfs/dbraw/zinc/26/40/35/1185264035.db2.gz KITKSXWQDDAQIW-AZUAARDMSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001670854817 1187507812 /nfs/dbraw/zinc/50/78/12/1187507812.db2.gz KUWAQWXSMDXBQD-GOEBONIOSA-N 2 1 330.476 2.347 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693727 1190202957 /nfs/dbraw/zinc/20/29/57/1190202957.db2.gz RQPQBJBRACTZOX-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693727 1190202961 /nfs/dbraw/zinc/20/29/61/1190202961.db2.gz RQPQBJBRACTZOX-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001409693727 1190202966 /nfs/dbraw/zinc/20/29/66/1190202966.db2.gz RQPQBJBRACTZOX-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001409693727 1190202971 /nfs/dbraw/zinc/20/29/71/1190202971.db2.gz RQPQBJBRACTZOX-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001484007044 1191152412 /nfs/dbraw/zinc/15/24/12/1191152412.db2.gz RJWNQVKXVFCNSE-MJGOQNOKSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001484093216 1191207360 /nfs/dbraw/zinc/20/73/60/1191207360.db2.gz FOHZITPISDQOOD-FXAWDEMLSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001484098706 1191210057 /nfs/dbraw/zinc/21/00/57/1191210057.db2.gz YOLDLXYOJRFNGD-PKOBYXMFSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001484098706 1191210058 /nfs/dbraw/zinc/21/00/58/1191210058.db2.gz YOLDLXYOJRFNGD-PKOBYXMFSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001484558385 1191414631 /nfs/dbraw/zinc/41/46/31/1191414631.db2.gz FIPFLDPNJCJGPU-VQIMIIECSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001274855102 1205188451 /nfs/dbraw/zinc/18/84/51/1205188451.db2.gz CGZHODSDKKQHAO-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001274855102 1205188453 /nfs/dbraw/zinc/18/84/53/1205188453.db2.gz CGZHODSDKKQHAO-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001274855102 1205188454 /nfs/dbraw/zinc/18/84/54/1205188454.db2.gz CGZHODSDKKQHAO-FXAWDEMLSA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275108893 1205259198 /nfs/dbraw/zinc/25/91/98/1205259198.db2.gz QIOKWYSVRKGPIE-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275108893 1205259200 /nfs/dbraw/zinc/25/92/00/1205259200.db2.gz QIOKWYSVRKGPIE-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001275242428 1205289329 /nfs/dbraw/zinc/28/93/29/1205289329.db2.gz CPKLDLYGOFCVDH-ABHNRTSZSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001275242428 1205289331 /nfs/dbraw/zinc/28/93/31/1205289331.db2.gz CPKLDLYGOFCVDH-ABHNRTSZSA-N 2 1 333.520 2.395 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275407809 1205344460 /nfs/dbraw/zinc/34/44/60/1205344460.db2.gz WFCPBGQHPVJWFG-RDJZCZTQSA-N 2 1 347.890 2.128 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571894 1205422454 /nfs/dbraw/zinc/42/24/54/1205422454.db2.gz RYDJEMMMGMQERS-HZPDHXFCSA-N 2 1 333.451 2.000 10 30 EEEEMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902789604 1238536634 /nfs/dbraw/zinc/53/66/34/1238536634.db2.gz IKFZJZJOSJWQJP-PKOBYXMFSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902789601 1238537477 /nfs/dbraw/zinc/53/74/77/1238537477.db2.gz IKFZJZJOSJWQJP-HKUYNNGSSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001489133177 1290391634 /nfs/dbraw/zinc/39/16/34/1290391634.db2.gz RCPHKBPUKWXVKB-VQTJNVASSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1SCC#N ZINC000855345871 1293184366 /nfs/dbraw/zinc/18/43/66/1293184366.db2.gz JHCWJEWEZIJFEM-HNNXBMFYSA-N 2 1 348.516 2.304 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1SCC#N ZINC000855345871 1293184372 /nfs/dbraw/zinc/18/43/72/1293184372.db2.gz JHCWJEWEZIJFEM-HNNXBMFYSA-N 2 1 348.516 2.304 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316652771 1328611961 /nfs/dbraw/zinc/61/19/61/1328611961.db2.gz PQKXJHRCJWRZCP-YQVWRLOYSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1csc(C)c1)C1CC1 ZINC001265358917 1323096054 /nfs/dbraw/zinc/09/60/54/1323096054.db2.gz SXUFEMJKSWHXMN-ROUUACIJSA-N 2 1 345.512 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1csc(C)c1)C1CC1 ZINC001265358917 1323096059 /nfs/dbraw/zinc/09/60/59/1323096059.db2.gz SXUFEMJKSWHXMN-ROUUACIJSA-N 2 1 345.512 2.139 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC001281497768 1325174256 /nfs/dbraw/zinc/17/42/56/1325174256.db2.gz LTFCBNOHUCDKOI-KRWDZBQOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001281497768 1325174263 /nfs/dbraw/zinc/17/42/63/1325174263.db2.gz LTFCBNOHUCDKOI-KRWDZBQOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001281497768 1325174271 /nfs/dbraw/zinc/17/42/71/1325174271.db2.gz LTFCBNOHUCDKOI-KRWDZBQOSA-N 2 1 345.491 2.337 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001317197986 1332126401 /nfs/dbraw/zinc/12/64/01/1332126401.db2.gz GOXZUMLCTXCGMW-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317197986 1332126404 /nfs/dbraw/zinc/12/64/04/1332126404.db2.gz GOXZUMLCTXCGMW-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317201159 1332129540 /nfs/dbraw/zinc/12/95/40/1332129540.db2.gz ZBIVNCURDDJXGC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001317875258 1332438674 /nfs/dbraw/zinc/43/86/74/1332438674.db2.gz DHVGYTUEWYNVFV-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001317875258 1332438677 /nfs/dbraw/zinc/43/86/77/1332438677.db2.gz DHVGYTUEWYNVFV-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001317875258 1332438678 /nfs/dbraw/zinc/43/86/78/1332438678.db2.gz DHVGYTUEWYNVFV-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001318803947 1332600683 /nfs/dbraw/zinc/60/06/83/1332600683.db2.gz HGQUAQHPPLAKQP-MOPGFXCFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001318803947 1332600685 /nfs/dbraw/zinc/60/06/85/1332600685.db2.gz HGQUAQHPPLAKQP-MOPGFXCFSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048376 1332815887 /nfs/dbraw/zinc/81/58/87/1332815887.db2.gz QMIQIOKPAHROIM-RDJZCZTQSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048376 1332815890 /nfs/dbraw/zinc/81/58/90/1332815890.db2.gz QMIQIOKPAHROIM-RDJZCZTQSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001328577573 1334483074 /nfs/dbraw/zinc/48/30/74/1334483074.db2.gz IDNFETIYBXVRDC-QGZVFWFLSA-N 2 1 330.476 2.192 10 30 EEEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001332209156 1335767892 /nfs/dbraw/zinc/76/78/92/1335767892.db2.gz YQONAQVYMNCPKK-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001332209156 1335767897 /nfs/dbraw/zinc/76/78/97/1335767897.db2.gz YQONAQVYMNCPKK-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746434 1342622235 /nfs/dbraw/zinc/62/22/35/1342622235.db2.gz INXUOCGRBVGGOZ-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746434 1342622240 /nfs/dbraw/zinc/62/22/40/1342622240.db2.gz INXUOCGRBVGGOZ-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566746434 1342622244 /nfs/dbraw/zinc/62/22/44/1342622244.db2.gz INXUOCGRBVGGOZ-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566746434 1342622247 /nfs/dbraw/zinc/62/22/47/1342622247.db2.gz INXUOCGRBVGGOZ-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001570781506 1343114799 /nfs/dbraw/zinc/11/47/99/1343114799.db2.gz RKXJJYDLOZFTKP-RTBURBONSA-N 2 1 329.488 2.385 10 30 EEEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001677603029 1357368886 /nfs/dbraw/zinc/36/88/86/1357368886.db2.gz DWAFIFZCCBATCD-SFHVURJKSA-N 2 1 342.487 2.468 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001677603029 1357368891 /nfs/dbraw/zinc/36/88/91/1357368891.db2.gz DWAFIFZCCBATCD-SFHVURJKSA-N 2 1 342.487 2.468 10 30 EEEEMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001662979126 1354883108 /nfs/dbraw/zinc/88/31/08/1354883108.db2.gz FOQJWXORJYMXOO-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001664876408 1355249370 /nfs/dbraw/zinc/24/93/70/1355249370.db2.gz VGUUIYUPEVDQBC-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001664876408 1355249374 /nfs/dbraw/zinc/24/93/74/1355249374.db2.gz VGUUIYUPEVDQBC-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001664876408 1355249379 /nfs/dbraw/zinc/24/93/79/1355249379.db2.gz VGUUIYUPEVDQBC-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001664876408 1355249383 /nfs/dbraw/zinc/24/93/83/1355249383.db2.gz VGUUIYUPEVDQBC-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001664894220 1355254160 /nfs/dbraw/zinc/25/41/60/1355254160.db2.gz RLVOMKJBDDTELQ-UHFFFAOYSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001664894220 1355254165 /nfs/dbraw/zinc/25/41/65/1355254165.db2.gz RLVOMKJBDDTELQ-UHFFFAOYSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001666926472 1355616172 /nfs/dbraw/zinc/61/61/72/1355616172.db2.gz AWBJMMPBFPAQDA-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001666926472 1355616178 /nfs/dbraw/zinc/61/61/78/1355616178.db2.gz AWBJMMPBFPAQDA-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001667392696 1355729947 /nfs/dbraw/zinc/72/99/47/1355729947.db2.gz CNIOMVKKLMSGDR-IAGOWNOFSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001669931011 1356242107 /nfs/dbraw/zinc/24/21/07/1356242107.db2.gz VTVNWFCQLFMTPI-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N ZINC001670357944 1356327105 /nfs/dbraw/zinc/32/71/05/1356327105.db2.gz WYZPGSPNKYSXBA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001671432748 1356338505 /nfs/dbraw/zinc/33/85/05/1356338505.db2.gz XAPMYHHWBVUKER-MSOLQXFVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001672339168 1356504726 /nfs/dbraw/zinc/50/47/26/1356504726.db2.gz ULIWFKISZDTDIZ-HKUYNNGSSA-N 2 1 329.488 2.379 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001672339168 1356504727 /nfs/dbraw/zinc/50/47/27/1356504727.db2.gz ULIWFKISZDTDIZ-HKUYNNGSSA-N 2 1 329.488 2.379 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001673407532 1356688579 /nfs/dbraw/zinc/68/85/79/1356688579.db2.gz SMARRHJDLGFJCG-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001673407532 1356688581 /nfs/dbraw/zinc/68/85/81/1356688581.db2.gz SMARRHJDLGFJCG-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001673407532 1356688584 /nfs/dbraw/zinc/68/85/84/1356688584.db2.gz SMARRHJDLGFJCG-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145442 1356797225 /nfs/dbraw/zinc/79/72/25/1356797225.db2.gz JAMNTKYQLBGGAE-RTBURBONSA-N 2 1 346.519 2.082 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145442 1356797227 /nfs/dbraw/zinc/79/72/27/1356797227.db2.gz JAMNTKYQLBGGAE-RTBURBONSA-N 2 1 346.519 2.082 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691893428 1358586651 /nfs/dbraw/zinc/58/66/51/1358586651.db2.gz QDHXACUPSUSVQW-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001691893428 1358586653 /nfs/dbraw/zinc/58/66/53/1358586653.db2.gz QDHXACUPSUSVQW-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001691893428 1358586660 /nfs/dbraw/zinc/58/66/60/1358586660.db2.gz QDHXACUPSUSVQW-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001691893428 1358586661 /nfs/dbraw/zinc/58/66/61/1358586661.db2.gz QDHXACUPSUSVQW-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699551204 1405388626 /nfs/dbraw/zinc/38/86/26/1405388626.db2.gz PZWZQVATAMMWGZ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912305170 788102673 /nfs/dbraw/zinc/10/26/73/788102673.db2.gz UFQVVLPYSYLKDH-BOMAWHNGSA-N 2 1 334.508 2.095 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912305170 788102677 /nfs/dbraw/zinc/10/26/77/788102677.db2.gz UFQVVLPYSYLKDH-BOMAWHNGSA-N 2 1 334.508 2.095 10 30 EEEEMP Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000912305416 788103207 /nfs/dbraw/zinc/10/32/07/788103207.db2.gz YOIFRYYUMCLXCE-KRWDZBQOSA-N 2 1 344.503 2.106 10 30 EEEEMP Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000912305416 788103216 /nfs/dbraw/zinc/10/32/16/788103216.db2.gz YOIFRYYUMCLXCE-KRWDZBQOSA-N 2 1 344.503 2.106 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000921961231 798421169 /nfs/dbraw/zinc/42/11/69/798421169.db2.gz OSNPSBYSTHBYRH-SFHVURJKSA-N 2 1 328.460 2.027 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001565970674 1125478774 /nfs/dbraw/zinc/47/87/74/1125478774.db2.gz HGEAHVDXISZNKZ-QYZOEREBSA-N 2 1 333.520 2.348 10 30 EEEEMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001437498718 1089880441 /nfs/dbraw/zinc/88/04/41/1089880441.db2.gz PXYOIWQDSLYMRV-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439358055 1092074919 /nfs/dbraw/zinc/07/49/19/1092074919.db2.gz WKXPVEWUEJEHGH-CQSZACIVSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439358055 1092074930 /nfs/dbraw/zinc/07/49/30/1092074930.db2.gz WKXPVEWUEJEHGH-CQSZACIVSA-N 2 1 348.516 2.431 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001443870991 1098395665 /nfs/dbraw/zinc/39/56/65/1098395665.db2.gz FSJLPNBPPNAZRG-LJQANCHMSA-N 2 1 340.471 2.077 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609369 1099436718 /nfs/dbraw/zinc/43/67/18/1099436718.db2.gz COWLPYGXHSKREA-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492444 1100303858 /nfs/dbraw/zinc/30/38/58/1100303858.db2.gz KLPBFRHICBWKDV-RHSMWYFYSA-N 2 1 348.516 2.334 10 30 EEEEMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496144893 1102132757 /nfs/dbraw/zinc/13/27/57/1102132757.db2.gz JNHTYQDZTZSRKY-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996516 /nfs/dbraw/zinc/99/65/16/1102996516.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996520 /nfs/dbraw/zinc/99/65/20/1102996520.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996534 /nfs/dbraw/zinc/99/65/34/1102996534.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001447684586 1103113779 /nfs/dbraw/zinc/11/37/79/1103113779.db2.gz YMQQIZWGYWQPNY-HOCLYGCPSA-N 2 1 346.450 2.024 10 30 EEEEMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095957 1104735503 /nfs/dbraw/zinc/73/55/03/1104735503.db2.gz ZWVJLFMWEWEAQQ-DOTOQJQBSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001498499018 1107639342 /nfs/dbraw/zinc/63/93/42/1107639342.db2.gz WMEDWNFXNQDDRY-QZTJIDSGSA-N 2 1 330.476 2.260 10 30 EEEEMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493240730 1107752022 /nfs/dbraw/zinc/75/20/22/1107752022.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240730 1107752037 /nfs/dbraw/zinc/75/20/37/1107752037.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240730 1107752050 /nfs/dbraw/zinc/75/20/50/1107752050.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC001493584783 1108359680 /nfs/dbraw/zinc/35/96/80/1108359680.db2.gz OKRGECZIRGKJHN-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC001493584783 1108359692 /nfs/dbraw/zinc/35/96/92/1108359692.db2.gz OKRGECZIRGKJHN-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001499477301 1112307227 /nfs/dbraw/zinc/30/72/27/1112307227.db2.gz BKAYDDMOFKOHAH-FQEVSTJZSA-N 2 1 345.531 2.446 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500616605 1112979162 /nfs/dbraw/zinc/97/91/62/1112979162.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500616605 1112979166 /nfs/dbraw/zinc/97/91/66/1112979166.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500616605 1112979168 /nfs/dbraw/zinc/97/91/68/1112979168.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001507152008 1115136248 /nfs/dbraw/zinc/13/62/48/1115136248.db2.gz LBWJFCDMWRWERL-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001507363554 1115223689 /nfs/dbraw/zinc/22/36/89/1115223689.db2.gz MAKFPYUMXMMDSN-IPMKNSEASA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001568441394 1124511255 /nfs/dbraw/zinc/51/12/55/1124511255.db2.gz YWWUOTRRAJYPHC-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001568441394 1124511258 /nfs/dbraw/zinc/51/12/58/1124511258.db2.gz YWWUOTRRAJYPHC-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001568441394 1124511265 /nfs/dbraw/zinc/51/12/65/1124511265.db2.gz YWWUOTRRAJYPHC-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001568800992 1124814237 /nfs/dbraw/zinc/81/42/37/1124814237.db2.gz YNMPLMDHBUJOOV-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001569147355 1125128554 /nfs/dbraw/zinc/12/85/54/1125128554.db2.gz WTADJSCUMJHFBV-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001569147355 1125128557 /nfs/dbraw/zinc/12/85/57/1125128557.db2.gz WTADJSCUMJHFBV-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001569170131 1125142931 /nfs/dbraw/zinc/14/29/31/1125142931.db2.gz RCPAXNLYLGLKRV-VQTJNVASSA-N 2 1 341.499 2.059 10 30 EEEEMP C=CC[N@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352702501 465550434 /nfs/dbraw/zinc/55/04/34/465550434.db2.gz XYBRUOOVTKTYSP-UHFFFAOYSA-N 2 1 331.460 2.053 10 30 EEEEMP C=CC[N@@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352702501 465550446 /nfs/dbraw/zinc/55/04/46/465550446.db2.gz XYBRUOOVTKTYSP-UHFFFAOYSA-N 2 1 331.460 2.053 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856241 467958526 /nfs/dbraw/zinc/95/85/26/467958526.db2.gz WOQMIDGOOMKAOS-QGZVFWFLSA-N 2 1 349.500 2.042 10 30 EEEEMP CC(C)N1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856241 467958528 /nfs/dbraw/zinc/95/85/28/467958528.db2.gz WOQMIDGOOMKAOS-QGZVFWFLSA-N 2 1 349.500 2.042 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594437796 468586483 /nfs/dbraw/zinc/58/64/83/468586483.db2.gz FNNSGMSLHPXLDZ-KBAYOESNSA-N 2 1 328.460 2.177 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597942724 468720255 /nfs/dbraw/zinc/72/02/55/468720255.db2.gz MKCANEZELCCSIO-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000601019176 468720230 /nfs/dbraw/zinc/72/02/30/468720230.db2.gz DYTNWKXRJXKCIL-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597942724 468720257 /nfs/dbraw/zinc/72/02/57/468720257.db2.gz MKCANEZELCCSIO-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876323 526534896 /nfs/dbraw/zinc/53/48/96/526534896.db2.gz OYUHBPOLPTVSFM-MRXNPFEDSA-N 2 1 332.492 2.488 10 30 EEEEMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663813 1177084467 /nfs/dbraw/zinc/08/44/67/1177084467.db2.gz RLSHTCFIUAKRTP-ROUUACIJSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663813 1177084474 /nfs/dbraw/zinc/08/44/74/1177084474.db2.gz RLSHTCFIUAKRTP-ROUUACIJSA-N 2 1 330.476 2.471 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266841962 1177519622 /nfs/dbraw/zinc/51/96/22/1177519622.db2.gz FKLFDTLAMMYTRM-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266841962 1177519625 /nfs/dbraw/zinc/51/96/25/1177519625.db2.gz FKLFDTLAMMYTRM-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092645 1178222110 /nfs/dbraw/zinc/22/21/10/1178222110.db2.gz DTIUOZJXCJMHAQ-UXHICEINSA-N 2 1 341.499 2.395 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116735 1178280014 /nfs/dbraw/zinc/28/00/14/1178280014.db2.gz GPAMJSYRORQVCN-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)sc1C ZINC001267386586 1178947462 /nfs/dbraw/zinc/94/74/62/1178947462.db2.gz NIDFOAHTVHDSSP-KRWDZBQOSA-N 2 1 333.501 2.011 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)sc1C ZINC001267386586 1178947464 /nfs/dbraw/zinc/94/74/64/1178947464.db2.gz NIDFOAHTVHDSSP-KRWDZBQOSA-N 2 1 333.501 2.011 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001267750186 1180405717 /nfs/dbraw/zinc/40/57/17/1180405717.db2.gz YXDUGDCUUIACEI-UXHICEINSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001267750186 1180405719 /nfs/dbraw/zinc/40/57/19/1180405719.db2.gz YXDUGDCUUIACEI-UXHICEINSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267968947 1180871537 /nfs/dbraw/zinc/87/15/37/1180871537.db2.gz FFMQQNKMMINHTC-LJQANCHMSA-N 2 1 345.487 2.145 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001481335132 1181060342 /nfs/dbraw/zinc/06/03/42/1181060342.db2.gz OUILIFHCCQJCCQ-APWZRJJASA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001481335132 1181060348 /nfs/dbraw/zinc/06/03/48/1181060348.db2.gz OUILIFHCCQJCCQ-APWZRJJASA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001268200739 1181997506 /nfs/dbraw/zinc/99/75/06/1181997506.db2.gz YDFMBNDGEVPKMU-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001268200739 1181997513 /nfs/dbraw/zinc/99/75/13/1181997513.db2.gz YDFMBNDGEVPKMU-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001268200739 1181997517 /nfs/dbraw/zinc/99/75/17/1181997517.db2.gz YDFMBNDGEVPKMU-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001482114143 1183344343 /nfs/dbraw/zinc/34/43/43/1183344343.db2.gz ZBKQIHRHSQILBG-RDTXWAMCSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001269041915 1183915057 /nfs/dbraw/zinc/91/50/57/1183915057.db2.gz FDSATPBHFKMABO-HNNXBMFYSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001269743090 1184582036 /nfs/dbraw/zinc/58/20/36/1184582036.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001269743090 1184582042 /nfs/dbraw/zinc/58/20/42/1184582042.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001269743090 1184582049 /nfs/dbraw/zinc/58/20/49/1184582049.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001270025157 1184795774 /nfs/dbraw/zinc/79/57/74/1184795774.db2.gz ZALHFHLPOWQKPQ-MXVIHJGJSA-N 2 1 341.499 2.201 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccc2ccccc2c1 ZINC001270368735 1185052555 /nfs/dbraw/zinc/05/25/55/1185052555.db2.gz IBYRRDXEYIFBPF-HXUWFJFHSA-N 2 1 346.434 2.425 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001270965576 1185776537 /nfs/dbraw/zinc/77/65/37/1185776537.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCCN(C/C=C\Cl)C1 ZINC001270965576 1185776542 /nfs/dbraw/zinc/77/65/42/1185776542.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 1 337.895 2.055 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001271100125 1185884174 /nfs/dbraw/zinc/88/41/74/1185884174.db2.gz IKFUDLUBAXMQCP-OAHLLOKOSA-N 2 1 331.451 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271100125 1185884179 /nfs/dbraw/zinc/88/41/79/1185884179.db2.gz IKFUDLUBAXMQCP-OAHLLOKOSA-N 2 1 331.451 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271100125 1185884183 /nfs/dbraw/zinc/88/41/83/1185884183.db2.gz IKFUDLUBAXMQCP-OAHLLOKOSA-N 2 1 331.451 2.368 10 30 EEEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485828114 1193479275 /nfs/dbraw/zinc/47/92/75/1193479275.db2.gz UMGWDPMGMFRXEG-QAPCUYQASA-N 2 1 325.472 2.212 10 30 EEEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001670985204 1193538751 /nfs/dbraw/zinc/53/87/51/1193538751.db2.gz OYBRNFBNZQZGDA-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001670985204 1193538753 /nfs/dbraw/zinc/53/87/53/1193538753.db2.gz OYBRNFBNZQZGDA-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001670985204 1193538755 /nfs/dbraw/zinc/53/87/55/1193538755.db2.gz OYBRNFBNZQZGDA-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001272837679 1193571802 /nfs/dbraw/zinc/57/18/02/1193571802.db2.gz KJOYJMATMUDMOB-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001272837679 1193571805 /nfs/dbraw/zinc/57/18/05/1193571805.db2.gz KJOYJMATMUDMOB-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001483608139 1190586907 /nfs/dbraw/zinc/58/69/07/1190586907.db2.gz QPJHGUQBNPJUBO-IBGZPJMESA-N 2 1 345.462 2.002 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483950203 1191129053 /nfs/dbraw/zinc/12/90/53/1191129053.db2.gz OCRLOXLCUSNVQJ-QGZVFWFLSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001483983931 1191141749 /nfs/dbraw/zinc/14/17/49/1191141749.db2.gz FGBOVKFUMNCWGZ-IEBWSBKVSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001484096831 1191209425 /nfs/dbraw/zinc/20/94/25/1191209425.db2.gz WCGDKMRVCMJGMD-MJGOQNOKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001484096831 1191209427 /nfs/dbraw/zinc/20/94/27/1191209427.db2.gz WCGDKMRVCMJGMD-MJGOQNOKSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468137 1191372871 /nfs/dbraw/zinc/37/28/71/1191372871.db2.gz XXEYMSZYTWAZMZ-RTBURBONSA-N 2 1 331.504 2.341 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001484471175 1191375593 /nfs/dbraw/zinc/37/55/93/1191375593.db2.gz JMWFZKGXQXOXAG-BPQIPLTHSA-N 2 1 330.476 2.469 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001484471175 1191375595 /nfs/dbraw/zinc/37/55/95/1191375595.db2.gz JMWFZKGXQXOXAG-BPQIPLTHSA-N 2 1 330.476 2.469 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001484927161 1191573576 /nfs/dbraw/zinc/57/35/76/1191573576.db2.gz NLCSELOOXONJMO-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229895 1191698967 /nfs/dbraw/zinc/69/89/67/1191698967.db2.gz NMEMDEUPDAOCEN-KGLIPLIRSA-N 2 1 334.439 2.020 10 30 EEEEMP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485468328 1191796185 /nfs/dbraw/zinc/79/61/85/1191796185.db2.gz KMSIAYCTIWHXGA-WOJBJXKFSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001273426934 1198802206 /nfs/dbraw/zinc/80/22/06/1198802206.db2.gz CSCSBABNIMDLPJ-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001273426934 1198802209 /nfs/dbraw/zinc/80/22/09/1198802209.db2.gz CSCSBABNIMDLPJ-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275039026 1205241767 /nfs/dbraw/zinc/24/17/67/1205241767.db2.gz OWLCIZNPENNEIG-IEBWSBKVSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001276137757 1205795027 /nfs/dbraw/zinc/79/50/27/1205795027.db2.gz GORFMCRPYWDCSD-IEBWSBKVSA-N 2 1 344.503 2.240 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607328 1281075710 /nfs/dbraw/zinc/07/57/10/1281075710.db2.gz LWIQGQYXEMSHMD-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490281182 1291108273 /nfs/dbraw/zinc/10/82/73/1291108273.db2.gz HBNFBDGVGIEGKC-GASCZTMLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001490281182 1291108284 /nfs/dbraw/zinc/10/82/84/1291108284.db2.gz HBNFBDGVGIEGKC-GASCZTMLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001490281182 1291108291 /nfs/dbraw/zinc/10/82/91/1291108291.db2.gz HBNFBDGVGIEGKC-GASCZTMLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001490361425 1291300969 /nfs/dbraw/zinc/30/09/69/1291300969.db2.gz NACQGJPEUSXINA-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200619 1306283720 /nfs/dbraw/zinc/28/37/20/1306283720.db2.gz PHWMKCFPVIDTMD-ROUUACIJSA-N 2 1 331.504 2.219 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516179 1317081447 /nfs/dbraw/zinc/08/14/47/1317081447.db2.gz OWXVSTVIPFWKFR-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526362 1323204956 /nfs/dbraw/zinc/20/49/56/1323204956.db2.gz YVMCAWQTLRLRIK-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598319 1323953447 /nfs/dbraw/zinc/95/34/47/1323953447.db2.gz VTNDVYHZUVZCCK-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001280485372 1324250627 /nfs/dbraw/zinc/25/06/27/1324250627.db2.gz KYCPGCUFGQPKJT-SFHVURJKSA-N 2 1 343.515 2.293 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001280485372 1324250631 /nfs/dbraw/zinc/25/06/31/1324250631.db2.gz KYCPGCUFGQPKJT-SFHVURJKSA-N 2 1 343.515 2.293 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001281839828 1325482791 /nfs/dbraw/zinc/48/27/91/1325482791.db2.gz DSEPAHNUDMDIET-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001281839828 1325482797 /nfs/dbraw/zinc/48/27/97/1325482797.db2.gz DSEPAHNUDMDIET-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001281839828 1325482803 /nfs/dbraw/zinc/48/28/03/1325482803.db2.gz DSEPAHNUDMDIET-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001283706136 1326211002 /nfs/dbraw/zinc/21/10/02/1326211002.db2.gz ZXWNFYYVKGIVPQ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001284323311 1326504191 /nfs/dbraw/zinc/50/41/91/1326504191.db2.gz MBLABOAREBCBOK-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001317471257 1332257822 /nfs/dbraw/zinc/25/78/22/1332257822.db2.gz GPVMPFXDTYHDDD-UHFFFAOYSA-N 2 1 333.520 2.350 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C1CCC1 ZINC001317541489 1332290860 /nfs/dbraw/zinc/29/08/60/1332290860.db2.gz XDCRUJZJDLKHEX-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001317541489 1332290863 /nfs/dbraw/zinc/29/08/63/1332290863.db2.gz XDCRUJZJDLKHEX-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001317541489 1332290865 /nfs/dbraw/zinc/29/08/65/1332290865.db2.gz XDCRUJZJDLKHEX-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001317560969 1332298339 /nfs/dbraw/zinc/29/83/39/1332298339.db2.gz DSVPYBSBMZRTAG-UHFFFAOYSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317844886 1332429490 /nfs/dbraw/zinc/42/94/90/1332429490.db2.gz GXVBNUAJVQZJEA-INIZCTEOSA-N 2 1 339.443 2.237 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686301 1332577339 /nfs/dbraw/zinc/57/73/39/1332577339.db2.gz JRHSCRZPNNEYDF-TZIWHRDSSA-N 2 1 339.483 2.007 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001319888941 1332793145 /nfs/dbraw/zinc/79/31/45/1332793145.db2.gz RXTIRHYPZMIWQI-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414969 1332878590 /nfs/dbraw/zinc/87/85/90/1332878590.db2.gz NMSQTJYHQFQLGW-VQIMIIECSA-N 2 1 342.487 2.415 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001323684709 1333516233 /nfs/dbraw/zinc/51/62/33/1333516233.db2.gz OOHYZGULAMXKHG-CEXWTWQISA-N 2 1 331.504 2.360 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324729337 1333747655 /nfs/dbraw/zinc/74/76/55/1333747655.db2.gz XPLYIPCIAWLDDD-APWZRJJASA-N 2 1 330.476 2.248 10 30 EEEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001324962412 1333798279 /nfs/dbraw/zinc/79/82/79/1333798279.db2.gz ZYSOPOCYNCNZJE-LJQANCHMSA-N 2 1 346.475 2.288 10 30 EEEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001324962412 1333798281 /nfs/dbraw/zinc/79/82/81/1333798281.db2.gz ZYSOPOCYNCNZJE-LJQANCHMSA-N 2 1 346.475 2.288 10 30 EEEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001326494644 1334104505 /nfs/dbraw/zinc/10/45/05/1334104505.db2.gz OCOHMWDBWXPXRX-IBGZPJMESA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001326494644 1334104507 /nfs/dbraw/zinc/10/45/07/1334104507.db2.gz OCOHMWDBWXPXRX-IBGZPJMESA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001326494644 1334104509 /nfs/dbraw/zinc/10/45/09/1334104509.db2.gz OCOHMWDBWXPXRX-IBGZPJMESA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001326494644 1334104511 /nfs/dbraw/zinc/10/45/11/1334104511.db2.gz OCOHMWDBWXPXRX-IBGZPJMESA-N 2 1 345.487 2.031 10 30 EEEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001327277255 1334257815 /nfs/dbraw/zinc/25/78/15/1334257815.db2.gz NKLSRYSEFMUHTC-IBGZPJMESA-N 2 1 329.488 2.483 10 30 EEEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001327277255 1334257817 /nfs/dbraw/zinc/25/78/17/1334257817.db2.gz NKLSRYSEFMUHTC-IBGZPJMESA-N 2 1 329.488 2.483 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)[NH+]1CCCCCC1)CCO2 ZINC001327330639 1334269002 /nfs/dbraw/zinc/26/90/02/1334269002.db2.gz FFHUCBGPPHTCAO-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805254 1334524691 /nfs/dbraw/zinc/52/46/91/1334524691.db2.gz DRGVIJZEYWKZRG-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329612402 1334683838 /nfs/dbraw/zinc/68/38/38/1334683838.db2.gz CJMOTKAFTPOEOT-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329612402 1334683844 /nfs/dbraw/zinc/68/38/44/1334683844.db2.gz CJMOTKAFTPOEOT-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001329740497 1334706093 /nfs/dbraw/zinc/70/60/93/1334706093.db2.gz DFVWBNXTPWDHIH-OALUTQOASA-N 2 1 333.520 2.489 10 30 EEEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330056534 1334770686 /nfs/dbraw/zinc/77/06/86/1334770686.db2.gz ZFWYOYVCDAZXLM-GOEBONIOSA-N 2 1 330.476 2.157 10 30 EEEEMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001331468325 1335018866 /nfs/dbraw/zinc/01/88/66/1335018866.db2.gz AXJDDLBXYNSDLO-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001566693179 1342604700 /nfs/dbraw/zinc/60/47/00/1342604700.db2.gz PPNNZIZOVWWNFB-SFHVURJKSA-N 2 1 349.519 2.036 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001566939535 1342655205 /nfs/dbraw/zinc/65/52/05/1342655205.db2.gz FIQQYONEWNJHHQ-MOPGFXCFSA-N 2 1 331.504 2.387 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967800 1342668208 /nfs/dbraw/zinc/66/82/08/1342668208.db2.gz WFZBBLDLDCEVFC-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967800 1342668212 /nfs/dbraw/zinc/66/82/12/1342668212.db2.gz WFZBBLDLDCEVFC-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566967800 1342668218 /nfs/dbraw/zinc/66/82/18/1342668218.db2.gz WFZBBLDLDCEVFC-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566967800 1342668224 /nfs/dbraw/zinc/66/82/24/1342668224.db2.gz WFZBBLDLDCEVFC-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001566983898 1342672602 /nfs/dbraw/zinc/67/26/02/1342672602.db2.gz FGOAJMBTPJJXSJ-NRXISQOPSA-N 2 1 345.409 2.053 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001566983898 1342672607 /nfs/dbraw/zinc/67/26/07/1342672607.db2.gz FGOAJMBTPJJXSJ-NRXISQOPSA-N 2 1 345.409 2.053 10 30 EEEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001567185218 1342707233 /nfs/dbraw/zinc/70/72/33/1342707233.db2.gz SOSWETMGNZXPCO-KRWDZBQOSA-N 2 1 335.879 2.139 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001567314069 1342738848 /nfs/dbraw/zinc/73/88/48/1342738848.db2.gz HCNWCHBKBLIEQY-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001567314069 1342738851 /nfs/dbraw/zinc/73/88/51/1342738851.db2.gz HCNWCHBKBLIEQY-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001567314069 1342738853 /nfs/dbraw/zinc/73/88/53/1342738853.db2.gz HCNWCHBKBLIEQY-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001567314069 1342738856 /nfs/dbraw/zinc/73/88/56/1342738856.db2.gz HCNWCHBKBLIEQY-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238601 1357299051 /nfs/dbraw/zinc/29/90/51/1357299051.db2.gz WRSJWEFEEIYWAX-MOPGFXCFSA-N 2 1 341.499 2.253 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238604 1357299214 /nfs/dbraw/zinc/29/92/14/1357299214.db2.gz WRSJWEFEEIYWAX-RTBURBONSA-N 2 1 341.499 2.253 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001649474825 1353526036 /nfs/dbraw/zinc/52/60/36/1353526036.db2.gz QYVPYEPSHXHECN-GOSISDBHSA-N 2 1 329.488 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001656889871 1354294457 /nfs/dbraw/zinc/29/44/57/1354294457.db2.gz QBKLRLSMNKCOLF-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001656889871 1354294458 /nfs/dbraw/zinc/29/44/58/1354294458.db2.gz QBKLRLSMNKCOLF-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001661881088 1354717406 /nfs/dbraw/zinc/71/74/06/1354717406.db2.gz SFMXZLXZSPFTNN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001661881088 1354717408 /nfs/dbraw/zinc/71/74/08/1354717408.db2.gz SFMXZLXZSPFTNN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001661943418 1354727005 /nfs/dbraw/zinc/72/70/05/1354727005.db2.gz NJKMHEOTBQAHQW-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877357 1354871891 /nfs/dbraw/zinc/87/18/91/1354871891.db2.gz CMMNMUJWSCJDNK-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001662877357 1354871895 /nfs/dbraw/zinc/87/18/95/1354871895.db2.gz CMMNMUJWSCJDNK-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664599920 1355197765 /nfs/dbraw/zinc/19/77/65/1355197765.db2.gz WHEIXJWBSIHOSP-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481467 1356347218 /nfs/dbraw/zinc/34/72/18/1356347218.db2.gz LGDDOLVZTGGHNK-ICSRJNTNSA-N 2 1 343.515 2.340 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538839 1356550798 /nfs/dbraw/zinc/55/07/98/1356550798.db2.gz VDKKAVSIVULOFP-OALUTQOASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)[NH+]1CCCCC1)CCO2 ZINC001673510649 1356700462 /nfs/dbraw/zinc/70/04/62/1356700462.db2.gz IDABISKVQCOWKO-UHFFFAOYSA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481688 1356844553 /nfs/dbraw/zinc/84/45/53/1356844553.db2.gz YLYXBTQTGZPITD-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674481688 1356844555 /nfs/dbraw/zinc/84/45/55/1356844555.db2.gz YLYXBTQTGZPITD-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674481688 1356844557 /nfs/dbraw/zinc/84/45/57/1356844557.db2.gz YLYXBTQTGZPITD-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC001675263229 1356954646 /nfs/dbraw/zinc/95/46/46/1356954646.db2.gz NTFVVMVXYYURLG-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027275 /nfs/dbraw/zinc/02/72/75/1357027275.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027278 /nfs/dbraw/zinc/02/72/78/1357027278.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027281 /nfs/dbraw/zinc/02/72/81/1357027281.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001675677982 1357033987 /nfs/dbraw/zinc/03/39/87/1357033987.db2.gz MNPKCUQLVIEAFG-QGZVFWFLSA-N 2 1 331.504 2.361 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001698723256 1405028169 /nfs/dbraw/zinc/02/81/69/1405028169.db2.gz PIIQEAWKDODXDP-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[N@@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001698953975 1405186805 /nfs/dbraw/zinc/18/68/05/1405186805.db2.gz MPGZFBUSCKEFPM-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001698953975 1405186811 /nfs/dbraw/zinc/18/68/11/1405186811.db2.gz MPGZFBUSCKEFPM-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP CN(CC#Cc1ccccc1Cl)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001698983741 1405200062 /nfs/dbraw/zinc/20/00/62/1405200062.db2.gz MZPIZWBRMLYOPW-GOSISDBHSA-N 2 1 347.890 2.176 10 30 EEEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001699689974 1405444626 /nfs/dbraw/zinc/44/46/26/1405444626.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001699689974 1405444630 /nfs/dbraw/zinc/44/46/30/1405444630.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001699689974 1405444637 /nfs/dbraw/zinc/44/46/37/1405444637.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261663734 779794580 /nfs/dbraw/zinc/79/45/80/779794580.db2.gz BEAUHQYTDAFAIO-OKZBNKHCSA-N 2 1 346.523 2.216 10 30 EEEEMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389468 789485627 /nfs/dbraw/zinc/48/56/27/789485627.db2.gz REKXMEUZYIBLFH-MOPGFXCFSA-N 2 1 343.471 2.010 10 30 EEEEMP C[NH+](C)CCCC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001566486714 1125648195 /nfs/dbraw/zinc/64/81/95/1125648195.db2.gz JVBXLBZCJMGTCP-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516266 1125687274 /nfs/dbraw/zinc/68/72/74/1125687274.db2.gz FJGFBWZTPZTRCO-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001566516266 1125687280 /nfs/dbraw/zinc/68/72/80/1125687280.db2.gz FJGFBWZTPZTRCO-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001566516266 1125687285 /nfs/dbraw/zinc/68/72/85/1125687285.db2.gz FJGFBWZTPZTRCO-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163907 1089178866 /nfs/dbraw/zinc/17/88/66/1089178866.db2.gz KUGVPWHKTVBERW-WMLDXEAASA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214488 1089294511 /nfs/dbraw/zinc/29/45/11/1089294511.db2.gz LMWCPMYKFUEAML-RHSMWYFYSA-N 2 1 348.516 2.477 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001438510788 1091003521 /nfs/dbraw/zinc/00/35/21/1091003521.db2.gz AQVNBTKHANTUDE-GJYPPUQNSA-N 2 1 342.487 2.130 10 30 EEEEMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001448561946 1093609984 /nfs/dbraw/zinc/60/99/84/1093609984.db2.gz PTUNFLKTRGBGJA-RTBURBONSA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688796 1093751830 /nfs/dbraw/zinc/75/18/30/1093751830.db2.gz ZYDDXMQPCZDISM-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858978 1095958239 /nfs/dbraw/zinc/95/82/39/1095958239.db2.gz JSWODMZVJCHGLY-WMLDXEAASA-N 2 1 346.450 2.166 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC#Cc1ccccc1 ZINC001479815703 1099084221 /nfs/dbraw/zinc/08/42/21/1099084221.db2.gz LJQODVNKMKYERA-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC#Cc1ccccc1 ZINC001479815703 1099084234 /nfs/dbraw/zinc/08/42/34/1099084234.db2.gz LJQODVNKMKYERA-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1 ZINC001479815703 1099084246 /nfs/dbraw/zinc/08/42/46/1099084246.db2.gz LJQODVNKMKYERA-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC#Cc1ccccc1 ZINC001479815702 1099085907 /nfs/dbraw/zinc/08/59/07/1099085907.db2.gz LJQODVNKMKYERA-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC#Cc1ccccc1 ZINC001479815702 1099085919 /nfs/dbraw/zinc/08/59/19/1099085919.db2.gz LJQODVNKMKYERA-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1 ZINC001479815702 1099085932 /nfs/dbraw/zinc/08/59/32/1099085932.db2.gz LJQODVNKMKYERA-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(CC)c1 ZINC001496718411 1101332559 /nfs/dbraw/zinc/33/25/59/1101332559.db2.gz OKLNJZIFNWSFRV-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(CC)c1 ZINC001496718411 1101332587 /nfs/dbraw/zinc/33/25/87/1101332587.db2.gz OKLNJZIFNWSFRV-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(CC)c1 ZINC001496718411 1101332601 /nfs/dbraw/zinc/33/26/01/1101332601.db2.gz OKLNJZIFNWSFRV-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(CC)c1 ZINC001496718411 1101332617 /nfs/dbraw/zinc/33/26/17/1101332617.db2.gz OKLNJZIFNWSFRV-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455735 1107562824 /nfs/dbraw/zinc/56/28/24/1107562824.db2.gz JRVKEOKUFNDFKA-GOSISDBHSA-N 2 1 341.499 2.277 10 30 EEEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001499492292 1112320545 /nfs/dbraw/zinc/32/05/45/1112320545.db2.gz WCUSOHVHPWAGNY-MQVJKMGUSA-N 2 1 346.475 2.428 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC/C=C/CC)C1 ZINC001501578723 1113389026 /nfs/dbraw/zinc/38/90/26/1113389026.db2.gz NWKWYHUKKGTFBO-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC/C=C/CC)C1 ZINC001501578723 1113389028 /nfs/dbraw/zinc/38/90/28/1113389028.db2.gz NWKWYHUKKGTFBO-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC#CC)cc1 ZINC001501676337 1113429078 /nfs/dbraw/zinc/42/90/78/1113429078.db2.gz KIFNFYVSBACYSG-XLIONFOSSA-N 2 1 337.467 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC#CC)cc1 ZINC001501676337 1113429082 /nfs/dbraw/zinc/42/90/82/1113429082.db2.gz KIFNFYVSBACYSG-XLIONFOSSA-N 2 1 337.467 2.074 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001507091479 1115103231 /nfs/dbraw/zinc/10/32/31/1115103231.db2.gz KWDFIBYFRAHICE-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001507091479 1115103233 /nfs/dbraw/zinc/10/32/33/1115103233.db2.gz KWDFIBYFRAHICE-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001568485830 1124543382 /nfs/dbraw/zinc/54/33/82/1124543382.db2.gz LXFIXGLTIXKVNY-MJGOQNOKSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001568485830 1124543391 /nfs/dbraw/zinc/54/33/91/1124543391.db2.gz LXFIXGLTIXKVNY-MJGOQNOKSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001568485830 1124543397 /nfs/dbraw/zinc/54/33/97/1124543397.db2.gz LXFIXGLTIXKVNY-MJGOQNOKSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001568485830 1124543404 /nfs/dbraw/zinc/54/34/04/1124543404.db2.gz LXFIXGLTIXKVNY-MJGOQNOKSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001568516354 1124581364 /nfs/dbraw/zinc/58/13/64/1124581364.db2.gz WHOXTYWYMMHZOI-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001568858432 1124881818 /nfs/dbraw/zinc/88/18/18/1124881818.db2.gz NEEGIFCKXYXGNG-HCZHMGAMSA-N 2 1 339.483 2.175 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152542 1125131742 /nfs/dbraw/zinc/13/17/42/1125131742.db2.gz CTMINIAMJYNZDD-QGZVFWFLSA-N 2 1 345.531 2.348 10 30 EEEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000156185397 462991020 /nfs/dbraw/zinc/99/10/20/462991020.db2.gz NYQDKXZPZFQPEZ-KRWDZBQOSA-N 2 1 345.487 2.352 10 30 EEEEMP CCC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000161348381 463424457 /nfs/dbraw/zinc/42/44/57/463424457.db2.gz MOBIPAWWDGASDT-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000161348381 463424461 /nfs/dbraw/zinc/42/44/61/463424461.db2.gz MOBIPAWWDGASDT-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516114 464063282 /nfs/dbraw/zinc/06/32/82/464063282.db2.gz FBDNKNLOADHJAF-QGZVFWFLSA-N 2 1 328.460 2.324 10 30 EEEEMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330545416 465700497 /nfs/dbraw/zinc/70/04/97/465700497.db2.gz UTNQBFDKQKENDN-VQIMIIECSA-N 2 1 334.508 2.237 10 30 EEEEMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366535897 465786539 /nfs/dbraw/zinc/78/65/39/465786539.db2.gz PSAPWWOTWNRTAT-HECZYDGTSA-N 2 1 346.519 2.333 10 30 EEEEMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717278 468631817 /nfs/dbraw/zinc/63/18/17/468631817.db2.gz PXHOKWROVUDKLU-ZWKOTPCHSA-N 2 1 337.508 2.159 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001485639002 1191865920 /nfs/dbraw/zinc/86/59/20/1191865920.db2.gz ANZRRWLRLPDRON-WBVHZDCISA-N 2 1 337.508 2.031 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001485715388 1191906339 /nfs/dbraw/zinc/90/63/39/1191906339.db2.gz YKSNDLITNWAQFW-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)CC)CC1 ZINC001272733383 1192403797 /nfs/dbraw/zinc/40/37/97/1192403797.db2.gz CWXVWEPAYWOLFX-VJANTYMQSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)CC)CC1 ZINC001272733383 1192403800 /nfs/dbraw/zinc/40/38/00/1192403800.db2.gz CWXVWEPAYWOLFX-VJANTYMQSA-N 2 1 333.520 2.395 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266841964 1177519476 /nfs/dbraw/zinc/51/94/76/1177519476.db2.gz FKLFDTLAMMYTRM-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266841964 1177519478 /nfs/dbraw/zinc/51/94/78/1177519478.db2.gz FKLFDTLAMMYTRM-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266841965 1177519897 /nfs/dbraw/zinc/51/98/97/1177519897.db2.gz FKLFDTLAMMYTRM-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266841965 1177519902 /nfs/dbraw/zinc/51/99/02/1177519902.db2.gz FKLFDTLAMMYTRM-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C[NH+](C)CCC(=O)NCC[N@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC001691222753 1177731306 /nfs/dbraw/zinc/73/13/06/1177731306.db2.gz GZZOGCHWXAMRNN-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)NCC[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC001691222753 1177731310 /nfs/dbraw/zinc/73/13/10/1177731310.db2.gz GZZOGCHWXAMRNN-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCC[NH2+]C1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001266915145 1177791365 /nfs/dbraw/zinc/79/13/65/1177791365.db2.gz BCOYCFJIPZPXRP-UHFFFAOYSA-N 2 1 339.443 2.474 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001691406288 1178018507 /nfs/dbraw/zinc/01/85/07/1178018507.db2.gz MONWXVVXQLSWJV-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001691406288 1178018517 /nfs/dbraw/zinc/01/85/17/1178018517.db2.gz MONWXVVXQLSWJV-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001267104287 1178252136 /nfs/dbraw/zinc/25/21/36/1178252136.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001267104287 1178252142 /nfs/dbraw/zinc/25/21/42/1178252142.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001267104287 1178252148 /nfs/dbraw/zinc/25/21/48/1178252148.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001267104287 1178252153 /nfs/dbraw/zinc/25/21/53/1178252153.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001267104287 1178252159 /nfs/dbraw/zinc/25/21/59/1178252159.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCc2ccsc2)CC1 ZINC001267232619 1178558178 /nfs/dbraw/zinc/55/81/78/1178558178.db2.gz KTYGWJXFTXHLAV-UHFFFAOYSA-N 2 1 347.528 2.074 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001267416084 1178988745 /nfs/dbraw/zinc/98/87/45/1178988745.db2.gz CCHYMZXKDKBVRB-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267565145 1179371803 /nfs/dbraw/zinc/37/18/03/1179371803.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565145 1179371808 /nfs/dbraw/zinc/37/18/08/1179371808.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565145 1179371815 /nfs/dbraw/zinc/37/18/15/1179371815.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP CC[C@H](C(=O)NCC[N@@H+](CC)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001480983088 1179422961 /nfs/dbraw/zinc/42/29/61/1179422961.db2.gz PFVOVJNZVNFLNU-GOSISDBHSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267806274 1180557092 /nfs/dbraw/zinc/55/70/92/1180557092.db2.gz MHBKHVQQVHTZBP-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267806274 1180557097 /nfs/dbraw/zinc/55/70/97/1180557097.db2.gz MHBKHVQQVHTZBP-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267806271 1180557546 /nfs/dbraw/zinc/55/75/46/1180557546.db2.gz MHBKHVQQVHTZBP-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267806271 1180557555 /nfs/dbraw/zinc/55/75/55/1180557555.db2.gz MHBKHVQQVHTZBP-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001267858373 1180642586 /nfs/dbraw/zinc/64/25/86/1180642586.db2.gz QZTLBIYJPUAZHX-RTBURBONSA-N 2 1 337.483 2.097 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001268229715 1182047153 /nfs/dbraw/zinc/04/71/53/1182047153.db2.gz XLEOERXPPGDQTN-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001268229715 1182047155 /nfs/dbraw/zinc/04/71/55/1182047155.db2.gz XLEOERXPPGDQTN-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CN(CC#Cc1ccc(Cl)cc1)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268257416 1182091150 /nfs/dbraw/zinc/09/11/50/1182091150.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268257416 1182091155 /nfs/dbraw/zinc/09/11/55/1182091155.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268257416 1182091161 /nfs/dbraw/zinc/09/11/61/1182091161.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268257416 1182091165 /nfs/dbraw/zinc/09/11/65/1182091165.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268257416 1182091169 /nfs/dbraw/zinc/09/11/69/1182091169.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)Cc1ccccc1)CC2 ZINC001482070566 1183296325 /nfs/dbraw/zinc/29/63/25/1183296325.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001482070566 1183296329 /nfs/dbraw/zinc/29/63/29/1183296329.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001482070566 1183296334 /nfs/dbraw/zinc/29/63/34/1183296334.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)Cc1ccccc1)CC2 ZINC001482070566 1183296340 /nfs/dbraw/zinc/29/63/40/1183296340.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)Cc1ccccc1)CC2 ZINC001482070566 1183296344 /nfs/dbraw/zinc/29/63/44/1183296344.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268878685 1183786983 /nfs/dbraw/zinc/78/69/83/1183786983.db2.gz BOQZXHLOOTXOFK-GOSISDBHSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482289564 1185103636 /nfs/dbraw/zinc/10/36/36/1185103636.db2.gz UPWWJLUXTNHPKD-YOEHRIQHSA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001482289564 1185103639 /nfs/dbraw/zinc/10/36/39/1185103639.db2.gz UPWWJLUXTNHPKD-YOEHRIQHSA-N 2 1 333.480 2.193 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001270650964 1185266119 /nfs/dbraw/zinc/26/61/19/1185266119.db2.gz ZNEVZWFMBMVKCM-NRFANRHFSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001270650964 1185266125 /nfs/dbraw/zinc/26/61/25/1185266125.db2.gz ZNEVZWFMBMVKCM-NRFANRHFSA-N 2 1 341.499 2.351 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001691508404 1185365413 /nfs/dbraw/zinc/36/54/13/1185365413.db2.gz NCWIXRSISFVISF-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)N(C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071092 /nfs/dbraw/zinc/07/10/92/1190071092.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCCN1C)N(C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071098 /nfs/dbraw/zinc/07/10/98/1190071098.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272669972 1191007436 /nfs/dbraw/zinc/00/74/36/1191007436.db2.gz LBSNZSNHIHFLBT-LJQANCHMSA-N 2 1 327.472 2.262 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483930158 1191121946 /nfs/dbraw/zinc/12/19/46/1191121946.db2.gz ZDOWCPBWHDUCDX-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001484176254 1191261135 /nfs/dbraw/zinc/26/11/35/1191261135.db2.gz XASCRWTTWQXCKK-LJQANCHMSA-N 2 1 339.443 2.285 10 30 EEEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001484176254 1191261137 /nfs/dbraw/zinc/26/11/37/1191261137.db2.gz XASCRWTTWQXCKK-LJQANCHMSA-N 2 1 339.443 2.285 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519819 1191394053 /nfs/dbraw/zinc/39/40/53/1191394053.db2.gz BFZPBIRVWOKMQW-HOTGVXAUSA-N 2 1 327.900 2.440 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612046 1191437411 /nfs/dbraw/zinc/43/74/11/1191437411.db2.gz DNDGTFDOTPEROH-FQEVSTJZSA-N 2 1 341.499 2.270 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987569 1191603709 /nfs/dbraw/zinc/60/37/09/1191603709.db2.gz CGYPSJAXICKCDD-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987569 1191603710 /nfs/dbraw/zinc/60/37/10/1191603710.db2.gz CGYPSJAXICKCDD-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987569 1191603711 /nfs/dbraw/zinc/60/37/11/1191603711.db2.gz CGYPSJAXICKCDD-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987569 1191603712 /nfs/dbraw/zinc/60/37/12/1191603712.db2.gz CGYPSJAXICKCDD-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159458 1191674019 /nfs/dbraw/zinc/67/40/19/1191674019.db2.gz XLKYOWQUTDIOJM-HZPDHXFCSA-N 2 1 345.462 2.144 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412400 1193921672 /nfs/dbraw/zinc/92/16/72/1193921672.db2.gz WFLHMIIRGXYHHT-HNAYVOBHSA-N 2 1 339.499 2.343 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001273105764 1194389622 /nfs/dbraw/zinc/38/96/22/1194389622.db2.gz XZEICLUNHMMCPB-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001411232985 1198943597 /nfs/dbraw/zinc/94/35/97/1198943597.db2.gz IVGJOOMMDBOLBM-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001411232985 1198943600 /nfs/dbraw/zinc/94/36/00/1198943600.db2.gz IVGJOOMMDBOLBM-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879565848 1201145238 /nfs/dbraw/zinc/14/52/38/1201145238.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@@H+]1CC[C@H]2CSC[C@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565848 1201145242 /nfs/dbraw/zinc/14/52/42/1201145242.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@H+]1CC[C@H]2CSC[C@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565848 1201145246 /nfs/dbraw/zinc/14/52/46/1201145246.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 2 1 336.570 2.360 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866669199 1201574876 /nfs/dbraw/zinc/57/48/76/1201574876.db2.gz UIZOIQSDWHZXMV-MOPGFXCFSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866669199 1201574879 /nfs/dbraw/zinc/57/48/79/1201574879.db2.gz UIZOIQSDWHZXMV-MOPGFXCFSA-N 2 1 341.455 2.484 10 30 EEEEMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001274368387 1205011857 /nfs/dbraw/zinc/01/18/57/1205011857.db2.gz MYHOLPSVXUMZJP-SFHVURJKSA-N 2 1 331.504 2.387 10 30 EEEEMP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001490852485 1209767086 /nfs/dbraw/zinc/76/70/86/1209767086.db2.gz ITZDYEOIFFEHTR-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP N#Cc1ccc(N[C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903987795 1242886761 /nfs/dbraw/zinc/88/67/61/1242886761.db2.gz JRWTXGHRHSMUQA-HQSKLWIPSA-N 2 1 325.460 2.360 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001273824894 1286478097 /nfs/dbraw/zinc/47/80/97/1286478097.db2.gz LJJZVYLKYKDSED-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001273824894 1286478100 /nfs/dbraw/zinc/47/81/00/1286478100.db2.gz LJJZVYLKYKDSED-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001273824894 1286478103 /nfs/dbraw/zinc/47/81/03/1286478103.db2.gz LJJZVYLKYKDSED-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490594685 1291496181 /nfs/dbraw/zinc/49/61/81/1291496181.db2.gz HUBJBNVCDCAEFT-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001490698143 1291628464 /nfs/dbraw/zinc/62/84/64/1291628464.db2.gz ALYKZUTXTARECA-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886942 1292225452 /nfs/dbraw/zinc/22/54/52/1292225452.db2.gz ZZUMEGVNWIQBKE-PKOBYXMFSA-N 2 1 345.874 2.204 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886942 1292225457 /nfs/dbraw/zinc/22/54/57/1292225457.db2.gz ZZUMEGVNWIQBKE-PKOBYXMFSA-N 2 1 345.874 2.204 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001276799115 1297875244 /nfs/dbraw/zinc/87/52/44/1297875244.db2.gz HMWJDZGVWOFOHK-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001277537440 1303851880 /nfs/dbraw/zinc/85/18/80/1303851880.db2.gz DJBKWGBMMKRGET-CTNGQTDRSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537440 1303851883 /nfs/dbraw/zinc/85/18/83/1303851883.db2.gz DJBKWGBMMKRGET-CTNGQTDRSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537440 1303851886 /nfs/dbraw/zinc/85/18/86/1303851886.db2.gz DJBKWGBMMKRGET-CTNGQTDRSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001278656211 1317569728 /nfs/dbraw/zinc/56/97/28/1317569728.db2.gz IZCBANAFQBLVGQ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001264120879 1322633307 /nfs/dbraw/zinc/63/33/07/1322633307.db2.gz SOTOPVWPGDEABI-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC(C)C)CC1 ZINC001264381212 1322684927 /nfs/dbraw/zinc/68/49/27/1322684927.db2.gz ZDXVEOVEXINCBI-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526363 1323205322 /nfs/dbraw/zinc/20/53/22/1323205322.db2.gz YVMCAWQTLRLRIK-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708035 /nfs/dbraw/zinc/70/80/35/1323708035.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708038 /nfs/dbraw/zinc/70/80/38/1323708038.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708042 /nfs/dbraw/zinc/70/80/42/1323708042.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708487 /nfs/dbraw/zinc/70/84/87/1323708487.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708494 /nfs/dbraw/zinc/70/84/94/1323708494.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708498 /nfs/dbraw/zinc/70/84/98/1323708498.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001282567152 1325742123 /nfs/dbraw/zinc/74/21/23/1325742123.db2.gz GYBNHISTUUTLOE-LPHOPBHVSA-N 2 1 339.499 2.295 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001284731145 1326686603 /nfs/dbraw/zinc/68/66/03/1326686603.db2.gz CVCWPVAHECVHFY-QFBILLFUSA-N 2 1 327.472 2.139 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001316791165 1331896350 /nfs/dbraw/zinc/89/63/50/1331896350.db2.gz CBGBUKBAVFGIHB-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001316791165 1331896354 /nfs/dbraw/zinc/89/63/54/1331896354.db2.gz CBGBUKBAVFGIHB-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001317073161 1332069886 /nfs/dbraw/zinc/06/98/86/1332069886.db2.gz NWSALLJWAODIRF-BQFCYCMXSA-N 2 1 345.874 2.023 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001317811907 1332417341 /nfs/dbraw/zinc/41/73/41/1332417341.db2.gz SEGGNMRYPZYOSW-MSOLQXFVSA-N 2 1 333.520 2.206 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854608 1332432898 /nfs/dbraw/zinc/43/28/98/1332432898.db2.gz QMEDFUSTGBLYGF-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854608 1332432899 /nfs/dbraw/zinc/43/28/99/1332432899.db2.gz QMEDFUSTGBLYGF-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001318300967 1332505566 /nfs/dbraw/zinc/50/55/66/1332505566.db2.gz IIWSABICPLADLH-RURPWVQCSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324432547 1333681999 /nfs/dbraw/zinc/68/19/99/1333681999.db2.gz XZKMRQLDPLUWHY-YCOJEUHLSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001325895516 1333986523 /nfs/dbraw/zinc/98/65/23/1333986523.db2.gz APSLOFJDRLGUGJ-FHWLQOOXSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001325895516 1333986525 /nfs/dbraw/zinc/98/65/25/1333986525.db2.gz APSLOFJDRLGUGJ-FHWLQOOXSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001325895516 1333986526 /nfs/dbraw/zinc/98/65/26/1333986526.db2.gz APSLOFJDRLGUGJ-FHWLQOOXSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001325895516 1333986528 /nfs/dbraw/zinc/98/65/28/1333986528.db2.gz APSLOFJDRLGUGJ-FHWLQOOXSA-N 2 1 349.494 2.289 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001326736351 1334152049 /nfs/dbraw/zinc/15/20/49/1334152049.db2.gz LWIRTBCMXWZWKR-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001328734011 1334510389 /nfs/dbraw/zinc/51/03/89/1334510389.db2.gz URGLDPPYDLJOMS-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001328734011 1334510393 /nfs/dbraw/zinc/51/03/93/1334510393.db2.gz URGLDPPYDLJOMS-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001328734011 1334510396 /nfs/dbraw/zinc/51/03/96/1334510396.db2.gz URGLDPPYDLJOMS-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741652 1334705900 /nfs/dbraw/zinc/70/59/00/1334705900.db2.gz JDOHTUDWUNQTLZ-RRUDCUFVSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741652 1334705903 /nfs/dbraw/zinc/70/59/03/1334705903.db2.gz JDOHTUDWUNQTLZ-RRUDCUFVSA-N 2 1 339.911 2.299 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001502506746 1342200355 /nfs/dbraw/zinc/20/03/55/1342200355.db2.gz XVCRIRXPXLUXST-KRWDZBQOSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566896948 1342648352 /nfs/dbraw/zinc/64/83/52/1342648352.db2.gz NSUDFASOCITJQH-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954635 1342659264 /nfs/dbraw/zinc/65/92/64/1342659264.db2.gz ALMSQOAFRUSEMM-MOPGFXCFSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954635 1342659269 /nfs/dbraw/zinc/65/92/69/1342659269.db2.gz ALMSQOAFRUSEMM-MOPGFXCFSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588298 1342904416 /nfs/dbraw/zinc/90/44/16/1342904416.db2.gz CRTDDLWPBUFTLG-HKUYNNGSSA-N 2 1 349.494 2.289 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001569859622 1342959943 /nfs/dbraw/zinc/95/99/43/1342959943.db2.gz BUJGWYMQVDBHCE-BCDXTJNWSA-N 2 1 331.504 2.243 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001639561171 1352699130 /nfs/dbraw/zinc/69/91/30/1352699130.db2.gz GFPFTPNAIVVDLS-MOPGFXCFSA-N 2 1 327.472 2.227 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001659328945 1354379203 /nfs/dbraw/zinc/37/92/03/1354379203.db2.gz QUBZKOIDDBIHNH-MRXNPFEDSA-N 2 1 335.492 2.463 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001659328945 1354379206 /nfs/dbraw/zinc/37/92/06/1354379206.db2.gz QUBZKOIDDBIHNH-MRXNPFEDSA-N 2 1 335.492 2.463 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836102 1355238966 /nfs/dbraw/zinc/23/89/66/1355238966.db2.gz PGZAJMHBRYCGCN-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836102 1355238968 /nfs/dbraw/zinc/23/89/68/1355238968.db2.gz PGZAJMHBRYCGCN-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001665921984 1355410451 /nfs/dbraw/zinc/41/04/51/1355410451.db2.gz ZLBRZFFCHKSPDD-QGZVFWFLSA-N 2 1 331.504 2.293 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(C)c1 ZINC001668867796 1356028473 /nfs/dbraw/zinc/02/84/73/1356028473.db2.gz CBZQJAUDKRKBDC-OANMOWAGSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(C)c1 ZINC001668867796 1356028477 /nfs/dbraw/zinc/02/84/77/1356028477.db2.gz CBZQJAUDKRKBDC-OANMOWAGSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001668867795 1356028663 /nfs/dbraw/zinc/02/86/63/1356028663.db2.gz CBZQJAUDKRKBDC-HOHWPDKRSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001668867795 1356028666 /nfs/dbraw/zinc/02/86/66/1356028666.db2.gz CBZQJAUDKRKBDC-HOHWPDKRSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001673079540 1356644497 /nfs/dbraw/zinc/64/44/97/1356644497.db2.gz FGYMHSNUBFOKQG-IBGZPJMESA-N 2 1 327.472 2.024 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001673617371 1356717930 /nfs/dbraw/zinc/71/79/30/1356717930.db2.gz DSQQAMJTBDXJBX-QZTJIDSGSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001675252789 1356951662 /nfs/dbraw/zinc/95/16/62/1356951662.db2.gz DXWHMQQJURMGAN-DLBZAZTESA-N 2 1 325.472 2.050 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106927 1405262254 /nfs/dbraw/zinc/26/22/54/1405262254.db2.gz HQZVHBAXTRWORI-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001699982384 1405623817 /nfs/dbraw/zinc/62/38/17/1405623817.db2.gz VRTKBUHIOCVLQU-GUDVDZBRSA-N 2 1 333.520 2.396 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001565987461 1125484056 /nfs/dbraw/zinc/48/40/56/1125484056.db2.gz PJMNLIQAEBGGGC-SBHAEUEKSA-N 2 1 345.531 2.493 10 30 EEEEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CC)[NH+](C)C ZINC001436436797 1087821373 /nfs/dbraw/zinc/82/13/73/1087821373.db2.gz DQXBLLOHMMCQQI-IPMKNSEASA-N 2 1 342.487 2.368 10 30 EEEEMP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001439622670 1092535106 /nfs/dbraw/zinc/53/51/06/1092535106.db2.gz SNYGVHFBFVZTQO-SFHVURJKSA-N 2 1 340.471 2.171 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001439622670 1092535116 /nfs/dbraw/zinc/53/51/16/1092535116.db2.gz SNYGVHFBFVZTQO-SFHVURJKSA-N 2 1 340.471 2.171 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001441831433 1095888300 /nfs/dbraw/zinc/88/83/00/1095888300.db2.gz HNNIXAKLKWRJES-RHSMWYFYSA-N 2 1 346.450 2.117 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479496132 1098565554 /nfs/dbraw/zinc/56/55/54/1098565554.db2.gz YJZBNMBJGLURMD-LSDHHAIUSA-N 2 1 348.516 2.334 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001480285036 1099991883 /nfs/dbraw/zinc/99/18/83/1099991883.db2.gz ZLTNJIGHXBXTIJ-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001480285036 1099991890 /nfs/dbraw/zinc/99/18/90/1099991890.db2.gz ZLTNJIGHXBXTIJ-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232905 1100922216 /nfs/dbraw/zinc/92/22/16/1100922216.db2.gz KBSXIOXUMBJWJK-ICSRJNTNSA-N 2 1 340.471 2.027 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001495509416 1101222458 /nfs/dbraw/zinc/22/24/58/1101222458.db2.gz PLXXMBSIZFWYKS-IBGZPJMESA-N 2 1 327.472 2.290 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001495589295 1101293885 /nfs/dbraw/zinc/29/38/85/1101293885.db2.gz UDMRWZSNTQXZQH-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497442986 1102496789 /nfs/dbraw/zinc/49/67/89/1102496789.db2.gz KHJAJXXYHQJOGA-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001494830979 1104427747 /nfs/dbraw/zinc/42/77/47/1104427747.db2.gz TUQPKLVQTFINOW-MSOLQXFVSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001494830979 1104427751 /nfs/dbraw/zinc/42/77/51/1104427751.db2.gz TUQPKLVQTFINOW-MSOLQXFVSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001494830979 1104427752 /nfs/dbraw/zinc/42/77/52/1104427752.db2.gz TUQPKLVQTFINOW-MSOLQXFVSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001494830979 1104427754 /nfs/dbraw/zinc/42/77/54/1104427754.db2.gz TUQPKLVQTFINOW-MSOLQXFVSA-N 2 1 333.520 2.443 10 30 EEEEMP CCN(CC#Cc1ccccc1)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420836 /nfs/dbraw/zinc/42/08/36/1107420836.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420842 /nfs/dbraw/zinc/42/08/42/1107420842.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420847 /nfs/dbraw/zinc/42/08/47/1107420847.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420852 /nfs/dbraw/zinc/42/08/52/1107420852.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420857 /nfs/dbraw/zinc/42/08/57/1107420857.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001493846971 1108729771 /nfs/dbraw/zinc/72/97/71/1108729771.db2.gz MLVZTYLEGNKKAM-GJZGRUSLSA-N 2 1 327.900 2.297 10 30 EEEEMP CC#CC[N@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001493872374 1108770056 /nfs/dbraw/zinc/77/00/56/1108770056.db2.gz RRFVZTKMFGWCFX-UHFFFAOYSA-N 2 1 339.443 2.121 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001493872374 1108770059 /nfs/dbraw/zinc/77/00/59/1108770059.db2.gz RRFVZTKMFGWCFX-UHFFFAOYSA-N 2 1 339.443 2.121 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480254 1112310641 /nfs/dbraw/zinc/31/06/41/1112310641.db2.gz FRSKCWFOKMMHCS-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001501181238 1113231109 /nfs/dbraw/zinc/23/11/09/1113231109.db2.gz FYOZLVBPJWTDGA-FHWLQOOXSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001501663334 1113421972 /nfs/dbraw/zinc/42/19/72/1113421972.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC001501663334 1113421974 /nfs/dbraw/zinc/42/19/74/1113421974.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001501663334 1113421977 /nfs/dbraw/zinc/42/19/77/1113421977.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001501671276 1113426620 /nfs/dbraw/zinc/42/66/20/1113426620.db2.gz WKTGHZVAJJPWCV-IRXDYDNUSA-N 2 1 327.472 2.241 10 30 EEEEMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001503701411 1113901613 /nfs/dbraw/zinc/90/16/13/1113901613.db2.gz YPKFVKDWNMKIAG-GOSISDBHSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001508236801 1115457130 /nfs/dbraw/zinc/45/71/30/1115457130.db2.gz WGPZOBZYDSASTE-RHSMWYFYSA-N 2 1 333.451 2.448 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568176833 1124341111 /nfs/dbraw/zinc/34/11/11/1124341111.db2.gz LARRTKFESSHCJG-PXNSSMCTSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568176833 1124341114 /nfs/dbraw/zinc/34/11/14/1124341114.db2.gz LARRTKFESSHCJG-PXNSSMCTSA-N 2 1 341.499 2.243 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568279101 1124401404 /nfs/dbraw/zinc/40/14/04/1124401404.db2.gz IWGIIWASYBKMDE-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568392912 1124462521 /nfs/dbraw/zinc/46/25/21/1124462521.db2.gz ZFYNLMAMZSWBPE-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901360 463945372 /nfs/dbraw/zinc/94/53/72/463945372.db2.gz SWIVOBUZYNCXGX-QZTJIDSGSA-N 2 1 334.508 2.175 10 30 EEEEMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000591764020 468516878 /nfs/dbraw/zinc/51/68/78/468516878.db2.gz OETMPJRVGCGPKX-CTWPCTMYSA-N 2 1 343.471 2.099 10 30 EEEEMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600718508 468632567 /nfs/dbraw/zinc/63/25/67/468632567.db2.gz XWUDDPLXQBWART-ROUUACIJSA-N 2 1 337.508 2.302 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427886 468974414 /nfs/dbraw/zinc/97/44/14/468974414.db2.gz VJNPXYVUVUEJDY-KRWDZBQOSA-N 2 1 349.523 2.128 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000105139800 517328546 /nfs/dbraw/zinc/32/85/46/517328546.db2.gz HMNCJRAJHOOALB-GOSISDBHSA-N 2 1 334.508 2.175 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924144710 684687606 /nfs/dbraw/zinc/68/76/06/684687606.db2.gz DHMUWQHTZDBXLH-VQTJNVASSA-N 2 1 341.499 2.475 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001670479392 1176826410 /nfs/dbraw/zinc/82/64/10/1176826410.db2.gz IJCLZEAUALRPQR-OALUTQOASA-N 2 1 343.515 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001670479392 1176826417 /nfs/dbraw/zinc/82/64/17/1176826417.db2.gz IJCLZEAUALRPQR-OALUTQOASA-N 2 1 343.515 2.149 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001691370426 1177978932 /nfs/dbraw/zinc/97/89/32/1177978932.db2.gz PTUFRACOJIPCBV-CVEARBPZSA-N 2 1 346.475 2.287 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001481346762 1181083952 /nfs/dbraw/zinc/08/39/52/1181083952.db2.gz CFAVTIINKWTUBC-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001481346762 1181083958 /nfs/dbraw/zinc/08/39/58/1181083958.db2.gz CFAVTIINKWTUBC-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001481346762 1181083963 /nfs/dbraw/zinc/08/39/63/1181083963.db2.gz CFAVTIINKWTUBC-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001268214881 1182024462 /nfs/dbraw/zinc/02/44/62/1182024462.db2.gz XNAXMABNTCHUOX-IEBWSBKVSA-N 2 1 333.520 2.395 10 30 EEEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482028083 1183157644 /nfs/dbraw/zinc/15/76/44/1183157644.db2.gz ZTAPWCHSACAJKW-GUDVDZBRSA-N 2 1 327.472 2.330 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001482058397 1183264043 /nfs/dbraw/zinc/26/40/43/1183264043.db2.gz BTVBTORPGONJBR-WOJBJXKFSA-N 2 1 339.483 2.103 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001268743907 1183660679 /nfs/dbraw/zinc/66/06/79/1183660679.db2.gz XNEHQAQRGGJZHH-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001268743907 1183660681 /nfs/dbraw/zinc/66/06/81/1183660681.db2.gz XNEHQAQRGGJZHH-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292783 1184145626 /nfs/dbraw/zinc/14/56/26/1184145626.db2.gz PQXBTLMVJUUBIS-RTBURBONSA-N 2 1 345.462 2.050 10 30 EEEEMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292783 1184145629 /nfs/dbraw/zinc/14/56/29/1184145629.db2.gz PQXBTLMVJUUBIS-RTBURBONSA-N 2 1 345.462 2.050 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270434594 1185096611 /nfs/dbraw/zinc/09/66/11/1185096611.db2.gz ZEYNCKAUWUXSIO-HKUYNNGSSA-N 2 1 342.487 2.042 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568002 1185178372 /nfs/dbraw/zinc/17/83/72/1185178372.db2.gz KFWDFRVJLUHZOU-INIZCTEOSA-N 2 1 349.906 2.375 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001271528979 1186293129 /nfs/dbraw/zinc/29/31/29/1186293129.db2.gz DJBNWHXEULCGIZ-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042893 1187235349 /nfs/dbraw/zinc/23/53/49/1187235349.db2.gz JIOWSKMRIYFCMW-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042893 1187235354 /nfs/dbraw/zinc/23/53/54/1187235354.db2.gz JIOWSKMRIYFCMW-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482888368 1187814789 /nfs/dbraw/zinc/81/47/89/1187814789.db2.gz JKZFCZCQAGNQDT-ZBFHGGJFSA-N 2 1 346.450 2.024 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483161191 1188976539 /nfs/dbraw/zinc/97/65/39/1188976539.db2.gz YAZKYCPDUKSZQQ-YCPHGPKFSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884893 1193629591 /nfs/dbraw/zinc/62/95/91/1193629591.db2.gz DQLLGUIPQSZDSJ-ICSRJNTNSA-N 2 1 341.499 2.072 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884893 1193629593 /nfs/dbraw/zinc/62/95/93/1193629593.db2.gz DQLLGUIPQSZDSJ-ICSRJNTNSA-N 2 1 341.499 2.072 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485946483 1193654851 /nfs/dbraw/zinc/65/48/51/1193654851.db2.gz FABMSXZRNOGNJO-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001483986365 1191142837 /nfs/dbraw/zinc/14/28/37/1191142837.db2.gz CRYWGYNUPRSLPH-IBGZPJMESA-N 2 1 331.504 2.363 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484522278 1191396985 /nfs/dbraw/zinc/39/69/85/1191396985.db2.gz GFGXADBRKRVCSZ-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001484555858 1191417568 /nfs/dbraw/zinc/41/75/68/1191417568.db2.gz BCNGUAQLXRRMQO-UHFFFAOYSA-N 2 1 327.472 2.100 10 30 EEEEMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485042972 1191623620 /nfs/dbraw/zinc/62/36/20/1191623620.db2.gz HEXLVRPPEHPQPF-YFVAEKQCSA-N 2 1 339.483 2.256 10 30 EEEEMP C=C(C)CC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC001486490768 1194002703 /nfs/dbraw/zinc/00/27/03/1194002703.db2.gz GGLLWZXFWMMOIB-UHFFFAOYSA-N 2 1 349.519 2.036 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001410844398 1198494312 /nfs/dbraw/zinc/49/43/12/1198494312.db2.gz JDWSPXYKQICAOI-RDTXWAMCSA-N 2 1 346.450 2.117 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001274961137 1205217757 /nfs/dbraw/zinc/21/77/57/1205217757.db2.gz YJXINDZSKQLOSA-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001489337050 1290521358 /nfs/dbraw/zinc/52/13/58/1290521358.db2.gz HHRXYNGAKLATRO-CQSZACIVSA-N 2 1 348.516 2.035 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490773339 1291715905 /nfs/dbraw/zinc/71/59/05/1291715905.db2.gz ZORXMFIQDZWCTM-ZBFHGGJFSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490773339 1291715911 /nfs/dbraw/zinc/71/59/11/1291715911.db2.gz ZORXMFIQDZWCTM-ZBFHGGJFSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490773339 1291715914 /nfs/dbraw/zinc/71/59/14/1291715914.db2.gz ZORXMFIQDZWCTM-ZBFHGGJFSA-N 2 1 327.900 2.251 10 30 EEEEMP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277454348 1303178568 /nfs/dbraw/zinc/17/85/68/1303178568.db2.gz LHYYWHDFZWKLGS-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277907038 1305049466 /nfs/dbraw/zinc/04/94/66/1305049466.db2.gz IJSQGJHJEGCKDX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264683914 1322783163 /nfs/dbraw/zinc/78/31/63/1322783163.db2.gz OITYIBYAJWCLSM-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001264997369 1322845388 /nfs/dbraw/zinc/84/53/88/1322845388.db2.gz CNSQLFXFUMTHFR-SFHVURJKSA-N 2 1 348.466 2.222 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001281839906 1325482293 /nfs/dbraw/zinc/48/22/93/1325482293.db2.gz HPJWJSXKCMIYKB-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149078 1326435718 /nfs/dbraw/zinc/43/57/18/1326435718.db2.gz RONPUQVIUFJYFM-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149078 1326435721 /nfs/dbraw/zinc/43/57/21/1326435721.db2.gz RONPUQVIUFJYFM-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149078 1326435723 /nfs/dbraw/zinc/43/57/23/1326435723.db2.gz RONPUQVIUFJYFM-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001284149078 1326435725 /nfs/dbraw/zinc/43/57/25/1326435725.db2.gz RONPUQVIUFJYFM-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316660357 1329897212 /nfs/dbraw/zinc/89/72/12/1329897212.db2.gz MYHIWIWPWRJENF-FRQCXROJSA-N 2 1 337.483 2.097 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317103948 1332081088 /nfs/dbraw/zinc/08/10/88/1332081088.db2.gz BTVCYGKMPAXXHM-KSZLIROESA-N 2 1 345.874 2.023 10 30 EEEEMP C=C(Br)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001317681825 1332369362 /nfs/dbraw/zinc/36/93/62/1332369362.db2.gz ILTALPRMJKGTCF-AWEZNQCLSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001317681825 1332369367 /nfs/dbraw/zinc/36/93/67/1332369367.db2.gz ILTALPRMJKGTCF-AWEZNQCLSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001317681825 1332369369 /nfs/dbraw/zinc/36/93/69/1332369369.db2.gz ILTALPRMJKGTCF-AWEZNQCLSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001317681825 1332369372 /nfs/dbraw/zinc/36/93/72/1332369372.db2.gz ILTALPRMJKGTCF-AWEZNQCLSA-N 2 1 346.313 2.206 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001319592022 1332725951 /nfs/dbraw/zinc/72/59/51/1332725951.db2.gz GJZLZKZFOLSBRA-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001320111176 1332829554 /nfs/dbraw/zinc/82/95/54/1332829554.db2.gz MLCAVMIYENTQTI-QZTJIDSGSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001320111176 1332829558 /nfs/dbraw/zinc/82/95/58/1332829558.db2.gz MLCAVMIYENTQTI-QZTJIDSGSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001323468813 1333469487 /nfs/dbraw/zinc/46/94/87/1333469487.db2.gz OLNYTNWKGXZXJG-YJBOKZPZSA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001323468813 1333469491 /nfs/dbraw/zinc/46/94/91/1333469491.db2.gz OLNYTNWKGXZXJG-YJBOKZPZSA-N 2 1 343.446 2.223 10 30 EEEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001324935349 1333790653 /nfs/dbraw/zinc/79/06/53/1333790653.db2.gz CYNSZWCVYHZUCY-LJQANCHMSA-N 2 1 330.476 2.166 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453966 1333889271 /nfs/dbraw/zinc/88/92/71/1333889271.db2.gz COHCAYHCEPQPRG-ICSRJNTNSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001325630524 1333928022 /nfs/dbraw/zinc/92/80/22/1333928022.db2.gz UFEOLCQUEOHREL-OKYOBFRVSA-N 2 1 331.504 2.243 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001327035045 1334208191 /nfs/dbraw/zinc/20/81/91/1334208191.db2.gz NBYJCJQQHBMSNJ-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001330512281 1334861398 /nfs/dbraw/zinc/86/13/98/1334861398.db2.gz PHSUWAXYXFVBGV-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001330512281 1334861401 /nfs/dbraw/zinc/86/14/01/1334861401.db2.gz PHSUWAXYXFVBGV-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330916769 1334926426 /nfs/dbraw/zinc/92/64/26/1334926426.db2.gz OHPDSXBNOWROJW-CRAIPNDOSA-N 2 1 325.472 2.097 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331289961 1334991476 /nfs/dbraw/zinc/99/14/76/1334991476.db2.gz OMOFFJPLVZDUSS-RTBURBONSA-N 2 1 331.504 2.243 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021512 1342680898 /nfs/dbraw/zinc/68/08/98/1342680898.db2.gz MDDYUZSDKHWIOX-HKUYNNGSSA-N 2 1 327.472 2.007 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676018863 1357090517 /nfs/dbraw/zinc/09/05/17/1357090517.db2.gz VASZGCRGNKFFLU-PBHICJAKSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001571392051 1343202574 /nfs/dbraw/zinc/20/25/74/1343202574.db2.gz OGDVTPYFXIDBFN-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001571392051 1343202575 /nfs/dbraw/zinc/20/25/75/1343202575.db2.gz OGDVTPYFXIDBFN-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821122 1357213596 /nfs/dbraw/zinc/21/35/96/1357213596.db2.gz RFFGSYJKMOTMIX-AZUAARDMSA-N 2 1 331.504 2.389 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001664272747 1355127825 /nfs/dbraw/zinc/12/78/25/1355127825.db2.gz UQBMYUFTPVJGDA-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCCCC)CC1 ZINC001671485534 1356347942 /nfs/dbraw/zinc/34/79/42/1356347942.db2.gz SWKNFYWGGVOKDU-UHFFFAOYSA-N 2 1 330.476 2.308 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001671972722 1356447164 /nfs/dbraw/zinc/44/71/64/1356447164.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001671972722 1356447168 /nfs/dbraw/zinc/44/71/68/1356447168.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001671972722 1356447172 /nfs/dbraw/zinc/44/71/72/1356447172.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1 ZINC000940158179 778191894 /nfs/dbraw/zinc/19/18/94/778191894.db2.gz UAHSJGCSDICTEG-ABHNRTSZSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1 ZINC000940158179 778191897 /nfs/dbraw/zinc/19/18/97/778191897.db2.gz UAHSJGCSDICTEG-ABHNRTSZSA-N 2 1 331.504 2.101 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480030 1089828303 /nfs/dbraw/zinc/82/83/03/1089828303.db2.gz BIXAKUMMPUNZQS-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(C#N)cc1 ZINC001437480030 1089828314 /nfs/dbraw/zinc/82/83/14/1089828314.db2.gz BIXAKUMMPUNZQS-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccc(C#N)cc1 ZINC001437480030 1089828333 /nfs/dbraw/zinc/82/83/33/1089828333.db2.gz BIXAKUMMPUNZQS-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423207 1090918693 /nfs/dbraw/zinc/91/86/93/1090918693.db2.gz XVZSMMKLZJNZKP-GRDNDAEWSA-N 2 1 327.900 2.344 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441877980 1095999296 /nfs/dbraw/zinc/99/92/96/1095999296.db2.gz RONWNSHMKUYVCN-AZUAARDMSA-N 2 1 340.471 2.123 10 30 EEEEMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174202 1096440357 /nfs/dbraw/zinc/44/03/57/1096440357.db2.gz KLHGNKCLATULQX-ROUUACIJSA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684891 1101435505 /nfs/dbraw/zinc/43/55/05/1101435505.db2.gz YCELZKPKLBDVQE-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1C ZINC001497403944 1102436107 /nfs/dbraw/zinc/43/61/07/1102436107.db2.gz PNXQXBZBAJOHNZ-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1C ZINC001497403944 1102436110 /nfs/dbraw/zinc/43/61/10/1102436110.db2.gz PNXQXBZBAJOHNZ-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494147460 1103603081 /nfs/dbraw/zinc/60/30/81/1103603081.db2.gz MJWNPCIOKMUEAA-SFHVURJKSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180161 1103656025 /nfs/dbraw/zinc/65/60/25/1103656025.db2.gz XXZGXTLJXYMLMT-HKUYNNGSSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180161 1103656032 /nfs/dbraw/zinc/65/60/32/1103656032.db2.gz XXZGXTLJXYMLMT-HKUYNNGSSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1=CCCCC1 ZINC001493297357 1107885439 /nfs/dbraw/zinc/88/54/39/1107885439.db2.gz SPXTVUIKSIYRDX-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC1=CCCCC1 ZINC001493297357 1107885452 /nfs/dbraw/zinc/88/54/52/1107885452.db2.gz SPXTVUIKSIYRDX-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1=CCCCC1 ZINC001493297357 1107885463 /nfs/dbraw/zinc/88/54/63/1107885463.db2.gz SPXTVUIKSIYRDX-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1=CCCCC1 ZINC001493297357 1107885475 /nfs/dbraw/zinc/88/54/75/1107885475.db2.gz SPXTVUIKSIYRDX-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001493577851 1108346945 /nfs/dbraw/zinc/34/69/45/1108346945.db2.gz KEBWSOUEYVRVGV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001493577851 1108346963 /nfs/dbraw/zinc/34/69/63/1108346963.db2.gz KEBWSOUEYVRVGV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001500498380 1112889615 /nfs/dbraw/zinc/88/96/15/1112889615.db2.gz HXSMUJNHEQDWRK-GOSISDBHSA-N 2 1 333.501 2.275 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CC(=C)C)Cc1ccccc1 ZINC001501196298 1113237381 /nfs/dbraw/zinc/23/73/81/1113237381.db2.gz YGLWBYIIDFGWQY-FQEVSTJZSA-N 2 1 339.483 2.279 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CC(=C)C)Cc1ccccc1 ZINC001501196298 1113237383 /nfs/dbraw/zinc/23/73/83/1113237383.db2.gz YGLWBYIIDFGWQY-FQEVSTJZSA-N 2 1 339.483 2.279 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC(=C)C ZINC001501662681 1113420932 /nfs/dbraw/zinc/42/09/32/1113420932.db2.gz DWUQFABZGDDWCP-FQEVSTJZSA-N 2 1 339.483 2.408 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC(=C)C ZINC001501662681 1113420935 /nfs/dbraw/zinc/42/09/35/1113420935.db2.gz DWUQFABZGDDWCP-FQEVSTJZSA-N 2 1 339.483 2.408 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC(=C)C ZINC001501662681 1113420937 /nfs/dbraw/zinc/42/09/37/1113420937.db2.gz DWUQFABZGDDWCP-FQEVSTJZSA-N 2 1 339.483 2.408 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC(=C)C ZINC001501662681 1113420940 /nfs/dbraw/zinc/42/09/40/1113420940.db2.gz DWUQFABZGDDWCP-FQEVSTJZSA-N 2 1 339.483 2.408 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001501671272 1113426541 /nfs/dbraw/zinc/42/65/41/1113426541.db2.gz WKTGHZVAJJPWCV-CALCHBBNSA-N 2 1 327.472 2.241 10 30 EEEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001501671272 1113426545 /nfs/dbraw/zinc/42/65/45/1113426545.db2.gz WKTGHZVAJJPWCV-CALCHBBNSA-N 2 1 327.472 2.241 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001501671272 1113426548 /nfs/dbraw/zinc/42/65/48/1113426548.db2.gz WKTGHZVAJJPWCV-CALCHBBNSA-N 2 1 327.472 2.241 10 30 EEEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+]([C@H](C)COC)CC1 ZINC001502404287 1113668758 /nfs/dbraw/zinc/66/87/58/1113668758.db2.gz FABVFXCAJPEAQJ-QRQLOZEOSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+]([C@H](C)COC)CC1 ZINC001502404287 1113668760 /nfs/dbraw/zinc/66/87/60/1113668760.db2.gz FABVFXCAJPEAQJ-QRQLOZEOSA-N 2 1 349.519 2.127 10 30 EEEEMP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001505400952 1113938646 /nfs/dbraw/zinc/93/86/46/1113938646.db2.gz IFDOAAUEKPCFCE-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001505400952 1113938647 /nfs/dbraw/zinc/93/86/47/1113938647.db2.gz IFDOAAUEKPCFCE-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001505400952 1113938650 /nfs/dbraw/zinc/93/86/50/1113938650.db2.gz IFDOAAUEKPCFCE-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001505400952 1113938652 /nfs/dbraw/zinc/93/86/52/1113938652.db2.gz IFDOAAUEKPCFCE-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507070676 1115092879 /nfs/dbraw/zinc/09/28/79/1115092879.db2.gz GXQRGNZJCPBJEE-KGLIPLIRSA-N 2 1 346.313 2.204 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001507363550 1115223632 /nfs/dbraw/zinc/22/36/32/1115223632.db2.gz MAKFPYUMXMMDSN-GBESFXJTSA-N 2 1 342.487 2.212 10 30 EEEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123834 467496123 /nfs/dbraw/zinc/49/61/23/467496123.db2.gz JTFNTMUGPKWCAZ-QGZVFWFLSA-N 2 1 327.432 2.139 10 30 EEEEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439877 468587764 /nfs/dbraw/zinc/58/77/64/468587764.db2.gz VQHQEJHRZDWSKP-ROUUACIJSA-N 2 1 328.460 2.131 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439148 468588301 /nfs/dbraw/zinc/58/83/01/468588301.db2.gz SUPOOBAHHYEGCI-OALUTQOASA-N 2 1 342.487 2.078 10 30 EEEEMP C[NH+]=C(NCc1nc(C)c(C)s1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000089070544 692524456 /nfs/dbraw/zinc/52/44/56/692524456.db2.gz GINYRHICFXJAJY-GOOCMWNKSA-N 2 1 335.521 2.440 10 30 EEEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001272700467 1191863431 /nfs/dbraw/zinc/86/34/31/1191863431.db2.gz JQBZQPUSQRTKKZ-SJORKVTESA-N 2 1 327.472 2.319 10 30 EEEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001691181098 1177678961 /nfs/dbraw/zinc/67/89/61/1177678961.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691181098 1177678968 /nfs/dbraw/zinc/67/89/68/1177678968.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001691181098 1177678971 /nfs/dbraw/zinc/67/89/71/1177678971.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001691208991 1177706740 /nfs/dbraw/zinc/70/67/40/1177706740.db2.gz NEUWBEBJABWIEY-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001691208991 1177706745 /nfs/dbraw/zinc/70/67/45/1177706745.db2.gz NEUWBEBJABWIEY-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001691208991 1177706750 /nfs/dbraw/zinc/70/67/50/1177706750.db2.gz NEUWBEBJABWIEY-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001267189951 1178461371 /nfs/dbraw/zinc/46/13/71/1178461371.db2.gz BBSVKMCNEMGMSJ-MRXNPFEDSA-N 2 1 333.520 2.489 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001267372173 1178873094 /nfs/dbraw/zinc/87/30/94/1178873094.db2.gz IEQIECZMCVEHCF-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001481067057 1179674183 /nfs/dbraw/zinc/67/41/83/1179674183.db2.gz ZVJKWYHAAGQWLI-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481120046 1179800098 /nfs/dbraw/zinc/80/00/98/1179800098.db2.gz WEMOEXRKRMLAIB-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120046 1179800104 /nfs/dbraw/zinc/80/01/04/1179800104.db2.gz WEMOEXRKRMLAIB-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120046 1179800110 /nfs/dbraw/zinc/80/01/10/1179800110.db2.gz WEMOEXRKRMLAIB-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267751951 1180411899 /nfs/dbraw/zinc/41/18/99/1180411899.db2.gz DBSPLSWGFZMIBS-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809219 1180563125 /nfs/dbraw/zinc/56/31/25/1180563125.db2.gz HHCXFWUJLRGWKI-MOPGFXCFSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001267938348 1180794036 /nfs/dbraw/zinc/79/40/36/1180794036.db2.gz TYOQBCWHEIOJPC-UXHICEINSA-N 2 1 339.483 2.433 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001268066454 1181660097 /nfs/dbraw/zinc/66/00/97/1181660097.db2.gz AAMHZOLQUTVFPF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001268066454 1181660101 /nfs/dbraw/zinc/66/01/01/1181660101.db2.gz AAMHZOLQUTVFPF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001268760576 1183676559 /nfs/dbraw/zinc/67/65/59/1183676559.db2.gz WIBWXRSMZQOSNF-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001482199516 1183877903 /nfs/dbraw/zinc/87/79/03/1183877903.db2.gz GKZXLEXCQRBENJ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001270427330 1185094091 /nfs/dbraw/zinc/09/40/91/1185094091.db2.gz MIYXCOVFQWSYBI-LPHOPBHVSA-N 2 1 345.462 2.096 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001270427330 1185094094 /nfs/dbraw/zinc/09/40/94/1185094094.db2.gz MIYXCOVFQWSYBI-LPHOPBHVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648918 1185263991 /nfs/dbraw/zinc/26/39/91/1185263991.db2.gz KITKSXWQDDAQIW-QUCCMNQESA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648918 1185263995 /nfs/dbraw/zinc/26/39/95/1185263995.db2.gz KITKSXWQDDAQIW-QUCCMNQESA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001272763854 1193485612 /nfs/dbraw/zinc/48/56/12/1193485612.db2.gz XAFIUNGCVRLWRH-BXWFABGCSA-N 2 1 337.483 2.097 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661392 1193611475 /nfs/dbraw/zinc/61/14/75/1193611475.db2.gz RZGQNYUUNFNPLI-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661392 1193611476 /nfs/dbraw/zinc/61/14/76/1193611476.db2.gz RZGQNYUUNFNPLI-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001483820824 1191049918 /nfs/dbraw/zinc/04/99/18/1191049918.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001483820824 1191049920 /nfs/dbraw/zinc/04/99/20/1191049920.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CC[NH+](CCOC)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001483820824 1191049924 /nfs/dbraw/zinc/04/99/24/1191049924.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 2 1 339.524 2.090 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483985958 1191143054 /nfs/dbraw/zinc/14/30/54/1191143054.db2.gz PQZXQYBBUOUTJF-LIXSYLKWSA-N 2 1 331.504 2.363 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987627 1191603860 /nfs/dbraw/zinc/60/38/60/1191603860.db2.gz DJXGHRPBRGOQQB-CABCVRRESA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987627 1191603862 /nfs/dbraw/zinc/60/38/62/1191603862.db2.gz DJXGHRPBRGOQQB-CABCVRRESA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987627 1191603864 /nfs/dbraw/zinc/60/38/64/1191603864.db2.gz DJXGHRPBRGOQQB-CABCVRRESA-N 2 1 348.516 2.429 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156288 1191668384 /nfs/dbraw/zinc/66/83/84/1191668384.db2.gz GITVHTGCXKKYQF-KBPBESRZSA-N 2 1 346.450 2.164 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC1=CCN(CC#Cc2ccccc2)CC1 ZINC001486519125 1194040479 /nfs/dbraw/zinc/04/04/79/1194040479.db2.gz IBTNMMFCMPUZRG-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001486519125 1194040482 /nfs/dbraw/zinc/04/04/82/1194040482.db2.gz IBTNMMFCMPUZRG-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001486519125 1194040486 /nfs/dbraw/zinc/04/04/86/1194040486.db2.gz IBTNMMFCMPUZRG-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001486519125 1194040493 /nfs/dbraw/zinc/04/04/93/1194040493.db2.gz IBTNMMFCMPUZRG-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001273308546 1198015549 /nfs/dbraw/zinc/01/55/49/1198015549.db2.gz LTCNKIFTCCRANX-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353899 1199912058 /nfs/dbraw/zinc/91/20/58/1199912058.db2.gz WDHGABGYPMSJQP-YQVWRLOYSA-N 2 1 347.890 2.437 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826674933 1204770191 /nfs/dbraw/zinc/77/01/91/1204770191.db2.gz XRKPQOZMQVSXRA-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000929848055 1206508289 /nfs/dbraw/zinc/50/82/89/1206508289.db2.gz PMCYRKWAFKAQOX-IEBWSBKVSA-N 2 1 325.456 2.413 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000929848055 1206508290 /nfs/dbraw/zinc/50/82/90/1206508290.db2.gz PMCYRKWAFKAQOX-IEBWSBKVSA-N 2 1 325.456 2.413 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001491048052 1258607576 /nfs/dbraw/zinc/60/75/76/1258607576.db2.gz OQKHFZRYIYWYBG-DZUCGIPZSA-N 2 1 330.476 2.345 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001491263110 1258861280 /nfs/dbraw/zinc/86/12/80/1258861280.db2.gz DKQVOSRSLQDFPO-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001276840836 1299876524 /nfs/dbraw/zinc/87/65/24/1299876524.db2.gz SEOBRAAPENPHSV-IPMKNSEASA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001276840836 1299876541 /nfs/dbraw/zinc/87/65/41/1299876541.db2.gz SEOBRAAPENPHSV-IPMKNSEASA-N 2 1 342.487 2.212 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001277942224 1305214104 /nfs/dbraw/zinc/21/41/04/1305214104.db2.gz WHJKCUSDYVBBIW-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278157196 1306133110 /nfs/dbraw/zinc/13/31/10/1306133110.db2.gz CYCOZFNBRHEPEY-UHFFFAOYSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001264586539 1322741076 /nfs/dbraw/zinc/74/10/76/1322741076.db2.gz RAHIXCUYNJPNSQ-RLLQIKCJSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265396279 1323127428 /nfs/dbraw/zinc/12/74/28/1323127428.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396279 1323127431 /nfs/dbraw/zinc/12/74/31/1323127431.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396279 1323127436 /nfs/dbraw/zinc/12/74/36/1323127436.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663056 1323305870 /nfs/dbraw/zinc/30/58/70/1323305870.db2.gz CUOGQWYMSJYGGB-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001281559793 1325278775 /nfs/dbraw/zinc/27/87/75/1325278775.db2.gz YNAZBPABIHSUJB-KRWDZBQOSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001281881015 1325498105 /nfs/dbraw/zinc/49/81/05/1325498105.db2.gz DKQVOSRSLQDFPO-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450809 1331262829 /nfs/dbraw/zinc/26/28/29/1331262829.db2.gz ZNXWMNXGNORCKG-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cccc(C#N)c1 ZINC001492450809 1331262832 /nfs/dbraw/zinc/26/28/32/1331262832.db2.gz ZNXWMNXGNORCKG-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1cccc(C#N)c1 ZINC001492450809 1331262833 /nfs/dbraw/zinc/26/28/33/1331262833.db2.gz ZNXWMNXGNORCKG-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCCCCC)CC2 ZINC001319145566 1332656951 /nfs/dbraw/zinc/65/69/51/1332656951.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCCCCC)CC2 ZINC001319145566 1332656957 /nfs/dbraw/zinc/65/69/57/1332656957.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCCCCC)CC2 ZINC001319145566 1332656959 /nfs/dbraw/zinc/65/69/59/1332656959.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CCC)cc1 ZINC001321876481 1333172442 /nfs/dbraw/zinc/17/24/42/1333172442.db2.gz SQWSNNYIZJRPBT-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CCC)cc1 ZINC001321876481 1333172447 /nfs/dbraw/zinc/17/24/47/1333172447.db2.gz SQWSNNYIZJRPBT-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001328468283 1334463494 /nfs/dbraw/zinc/46/34/94/1334463494.db2.gz KNRQVXGUIJSUMT-QUCCMNQESA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001328468283 1334463495 /nfs/dbraw/zinc/46/34/95/1334463495.db2.gz KNRQVXGUIJSUMT-QUCCMNQESA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001328468283 1334463497 /nfs/dbraw/zinc/46/34/97/1334463497.db2.gz KNRQVXGUIJSUMT-QUCCMNQESA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001328468283 1334463498 /nfs/dbraw/zinc/46/34/98/1334463498.db2.gz KNRQVXGUIJSUMT-QUCCMNQESA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001329936676 1334744578 /nfs/dbraw/zinc/74/45/78/1334744578.db2.gz LPMSDASVMKPLMR-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001329936676 1334744584 /nfs/dbraw/zinc/74/45/84/1334744584.db2.gz LPMSDASVMKPLMR-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001329936676 1334744590 /nfs/dbraw/zinc/74/45/90/1334744590.db2.gz LPMSDASVMKPLMR-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001329936676 1334744596 /nfs/dbraw/zinc/74/45/96/1334744596.db2.gz LPMSDASVMKPLMR-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458541 1335828516 /nfs/dbraw/zinc/82/85/16/1335828516.db2.gz HWSAISIGOAPRMZ-ZFWWWQNUSA-N 2 1 347.425 2.273 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](F)CC)CC1 ZINC001502496290 1342198186 /nfs/dbraw/zinc/19/81/86/1342198186.db2.gz NVPZCMYHFOIJDC-SJORKVTESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](F)CC)CC1 ZINC001502496290 1342198191 /nfs/dbraw/zinc/19/81/91/1342198191.db2.gz NVPZCMYHFOIJDC-SJORKVTESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001675051155 1356930130 /nfs/dbraw/zinc/93/01/30/1356930130.db2.gz XFDVDRVKQQEECU-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001567746868 1342832580 /nfs/dbraw/zinc/83/25/80/1342832580.db2.gz OVHKVTVXABYNNO-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001567746868 1342832585 /nfs/dbraw/zinc/83/25/85/1342832585.db2.gz OVHKVTVXABYNNO-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001567746868 1342832591 /nfs/dbraw/zinc/83/25/91/1342832591.db2.gz OVHKVTVXABYNNO-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC)Cc1ccccc1 ZINC001676086544 1357103396 /nfs/dbraw/zinc/10/33/96/1357103396.db2.gz SIDACLJXESXJHS-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC)Cc1ccccc1 ZINC001676086544 1357103397 /nfs/dbraw/zinc/10/33/97/1357103397.db2.gz SIDACLJXESXJHS-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612794 1357372483 /nfs/dbraw/zinc/37/24/83/1357372483.db2.gz PYOVKSBOGVZIHI-SFHVURJKSA-N 2 1 349.519 2.202 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001656231750 1354217458 /nfs/dbraw/zinc/21/74/58/1354217458.db2.gz PGUKWVCVSWCADU-BHIYHBOVSA-N 2 1 327.472 2.187 10 30 EEEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001657040793 1354311921 /nfs/dbraw/zinc/31/19/21/1354311921.db2.gz SXKPLZABPVMGFX-FGTMMUONSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001657040793 1354311926 /nfs/dbraw/zinc/31/19/26/1354311926.db2.gz SXKPLZABPVMGFX-FGTMMUONSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001657040793 1354311928 /nfs/dbraw/zinc/31/19/28/1354311928.db2.gz SXKPLZABPVMGFX-FGTMMUONSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001657040793 1354311933 /nfs/dbraw/zinc/31/19/33/1354311933.db2.gz SXKPLZABPVMGFX-FGTMMUONSA-N 2 1 339.524 2.257 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001661474047 1354643685 /nfs/dbraw/zinc/64/36/85/1354643685.db2.gz UYHZBIFUHWQNKM-IIDMSEBBSA-N 2 1 325.472 2.402 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662676143 1354824816 /nfs/dbraw/zinc/82/48/16/1354824816.db2.gz YQSRFNJQBONLTN-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001663072029 1354908647 /nfs/dbraw/zinc/90/86/47/1354908647.db2.gz LHOKYIKIVRZPPU-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001663072029 1354908652 /nfs/dbraw/zinc/90/86/52/1354908652.db2.gz LHOKYIKIVRZPPU-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001663072029 1354908655 /nfs/dbraw/zinc/90/86/55/1354908655.db2.gz LHOKYIKIVRZPPU-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001663072029 1354908660 /nfs/dbraw/zinc/90/86/60/1354908660.db2.gz LHOKYIKIVRZPPU-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001664717708 1355221371 /nfs/dbraw/zinc/22/13/71/1355221371.db2.gz SSIZZFPMIJVIQP-OAHLLOKOSA-N 2 1 333.501 2.275 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001665681750 1355357864 /nfs/dbraw/zinc/35/78/64/1355357864.db2.gz MSGXHFXSAQZRLT-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001668868864 1356029607 /nfs/dbraw/zinc/02/96/07/1356029607.db2.gz SWMBIBCVLFOGDU-PRPIBZDOSA-N 2 1 339.483 2.175 10 30 EEEEMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001671481209 1356346776 /nfs/dbraw/zinc/34/67/76/1356346776.db2.gz CWBHLXIBBKTLLL-QGZVFWFLSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671912509 1356437543 /nfs/dbraw/zinc/43/75/43/1356437543.db2.gz OETGTICUNICFMC-HXUWFJFHSA-N 2 1 327.472 2.213 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691898139 1356918383 /nfs/dbraw/zinc/91/83/83/1356918383.db2.gz JSSUNLVQUOOZOI-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691898139 1356918385 /nfs/dbraw/zinc/91/83/85/1356918385.db2.gz JSSUNLVQUOOZOI-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691898139 1356918386 /nfs/dbraw/zinc/91/83/86/1356918386.db2.gz JSSUNLVQUOOZOI-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCCC)C2)CC1 ZINC001699015478 1405229992 /nfs/dbraw/zinc/22/99/92/1405229992.db2.gz KFORWYUEXWYONC-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699983766 1405627457 /nfs/dbraw/zinc/62/74/57/1405627457.db2.gz DKBXMPPOYRIWEF-HXUWFJFHSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748144 779207390 /nfs/dbraw/zinc/20/73/90/779207390.db2.gz VFIBGBRMCSWRLL-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000907332647 784530545 /nfs/dbraw/zinc/53/05/45/784530545.db2.gz YEKVJBUAABHJOV-UHFFFAOYSA-N 2 1 345.487 2.262 10 30 EEEEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OCC#N)cc1 ZINC000817984210 785134403 /nfs/dbraw/zinc/13/44/03/785134403.db2.gz WBFRFXBQMJMHNT-IPJUCJBFSA-N 2 1 342.487 2.456 10 30 EEEEMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001565923181 1125458539 /nfs/dbraw/zinc/45/85/39/1125458539.db2.gz WEGHAIYUHGKRNH-KRWDZBQOSA-N 2 1 342.487 2.308 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300965 1090781132 /nfs/dbraw/zinc/78/11/32/1090781132.db2.gz LWIHCKKFAFRWAF-RHSMWYFYSA-N 2 1 348.516 2.479 10 30 EEEEMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806132 1097188534 /nfs/dbraw/zinc/18/85/34/1097188534.db2.gz DVLKLPBJWIGRLY-LSDHHAIUSA-N 2 1 346.500 2.042 10 30 EEEEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806132 1097188537 /nfs/dbraw/zinc/18/85/37/1097188537.db2.gz DVLKLPBJWIGRLY-LSDHHAIUSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806132 1097188539 /nfs/dbraw/zinc/18/85/39/1097188539.db2.gz DVLKLPBJWIGRLY-LSDHHAIUSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806132 1097188541 /nfs/dbraw/zinc/18/85/41/1097188541.db2.gz DVLKLPBJWIGRLY-LSDHHAIUSA-N 2 1 346.500 2.042 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479688836 1098749458 /nfs/dbraw/zinc/74/94/58/1098749458.db2.gz MOVJFFCKALUJLJ-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603451 1101203720 /nfs/dbraw/zinc/20/37/20/1101203720.db2.gz ROVQIEJUELNTTR-QFBILLFUSA-N 2 1 342.487 2.130 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001496861409 1101626994 /nfs/dbraw/zinc/62/69/94/1101626994.db2.gz STBDIHOCRWHRGP-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001496861409 1101627000 /nfs/dbraw/zinc/62/70/00/1101627000.db2.gz STBDIHOCRWHRGP-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001496861409 1101627006 /nfs/dbraw/zinc/62/70/06/1101627006.db2.gz STBDIHOCRWHRGP-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001497207753 1102128574 /nfs/dbraw/zinc/12/85/74/1102128574.db2.gz LKBOPIKQNPQLEI-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001497207753 1102128581 /nfs/dbraw/zinc/12/85/81/1102128581.db2.gz LKBOPIKQNPQLEI-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001494787132 1104370512 /nfs/dbraw/zinc/37/05/12/1104370512.db2.gz YKLXAGMOJFINRP-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001494787132 1104370523 /nfs/dbraw/zinc/37/05/23/1104370523.db2.gz YKLXAGMOJFINRP-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001494787132 1104370534 /nfs/dbraw/zinc/37/05/34/1104370534.db2.gz YKLXAGMOJFINRP-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001494787132 1104370544 /nfs/dbraw/zinc/37/05/44/1104370544.db2.gz YKLXAGMOJFINRP-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001495047534 1104685500 /nfs/dbraw/zinc/68/55/00/1104685500.db2.gz VPPNRZHMRPOXOP-YSIASYRMSA-N 2 1 341.499 2.253 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597326 1106736368 /nfs/dbraw/zinc/73/63/68/1106736368.db2.gz OXRIAXGVSGPDPN-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480801459 1107141136 /nfs/dbraw/zinc/14/11/36/1107141136.db2.gz RSYRMOKPCNECTF-INIZCTEOSA-N 2 1 333.451 2.003 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCCF)CC2CC2)CC1 ZINC001499528069 1112343519 /nfs/dbraw/zinc/34/35/19/1112343519.db2.gz QTEHJXBVBAFGTK-IBGZPJMESA-N 2 1 349.494 2.147 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCCF)CC2CC2)CC1 ZINC001499528069 1112343525 /nfs/dbraw/zinc/34/35/25/1112343525.db2.gz QTEHJXBVBAFGTK-IBGZPJMESA-N 2 1 349.494 2.147 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCCF)CC2CC2)CC1 ZINC001499528069 1112343530 /nfs/dbraw/zinc/34/35/30/1112343530.db2.gz QTEHJXBVBAFGTK-IBGZPJMESA-N 2 1 349.494 2.147 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCCF)CC2CC2)CC1 ZINC001499528069 1112343534 /nfs/dbraw/zinc/34/35/34/1112343534.db2.gz QTEHJXBVBAFGTK-IBGZPJMESA-N 2 1 349.494 2.147 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052125 1112594499 /nfs/dbraw/zinc/59/44/99/1112594499.db2.gz SJRDTGORCSINMT-HKUYNNGSSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001500057852 1112596362 /nfs/dbraw/zinc/59/63/62/1112596362.db2.gz OPTPDPVPSQHIDJ-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430686 1113964529 /nfs/dbraw/zinc/96/45/29/1113964529.db2.gz HUETVXOLUAZJHN-CVEARBPZSA-N 2 1 325.884 2.004 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430686 1113964530 /nfs/dbraw/zinc/96/45/30/1113964530.db2.gz HUETVXOLUAZJHN-CVEARBPZSA-N 2 1 325.884 2.004 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001505691433 1114133338 /nfs/dbraw/zinc/13/33/38/1114133338.db2.gz WPCFXSIAFSFIDP-CHWSQXEVSA-N 2 1 340.855 2.119 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352118 1115215419 /nfs/dbraw/zinc/21/54/19/1115215419.db2.gz WRQWJJOPIQNQLN-AZUAARDMSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC2(CCC2)C1 ZINC001567964774 1124207608 /nfs/dbraw/zinc/20/76/08/1124207608.db2.gz BTDYJSGCRWKOMZ-MSOLQXFVSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC2(CCC2)C1 ZINC001567964774 1124207613 /nfs/dbraw/zinc/20/76/13/1124207613.db2.gz BTDYJSGCRWKOMZ-MSOLQXFVSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(N2CC[NH+](C)CC2)nn1 ZINC000072423885 463511910 /nfs/dbraw/zinc/51/19/10/463511910.db2.gz FKBRSYMLTBPHKE-KRWDZBQOSA-N 2 1 345.491 2.038 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246199075 464557726 /nfs/dbraw/zinc/55/77/26/464557726.db2.gz MWVJKBCSQYGNOA-MSOLQXFVSA-N 2 1 334.508 2.295 10 30 EEEEMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600719861 468633929 /nfs/dbraw/zinc/63/39/29/468633929.db2.gz LEWNVWRKFLDIOJ-IBGZPJMESA-N 2 1 345.487 2.299 10 30 EEEEMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)CC1 ZINC000093132886 529151649 /nfs/dbraw/zinc/15/16/49/529151649.db2.gz GJJYYRILEHEHRU-PKOBYXMFSA-N 2 1 342.487 2.189 10 30 EEEEMP C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000934460201 678373936 /nfs/dbraw/zinc/37/39/36/678373936.db2.gz GYJSWOUVCPOXHN-SFHVURJKSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000934460201 678373938 /nfs/dbraw/zinc/37/39/38/678373938.db2.gz GYJSWOUVCPOXHN-SFHVURJKSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001485739062 1191916371 /nfs/dbraw/zinc/91/63/71/1191916371.db2.gz KRNJRPXOJHBOKS-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485815307 1191979176 /nfs/dbraw/zinc/97/91/76/1191979176.db2.gz HXSMUIWBFRUGPB-SFHVURJKSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266713068 1177251448 /nfs/dbraw/zinc/25/14/48/1177251448.db2.gz OBPUHHXOZCFNFQ-QSPRXWTASA-N 2 1 330.476 2.345 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001267302296 1178717175 /nfs/dbraw/zinc/71/71/75/1178717175.db2.gz OOEYMXHOCTXBDI-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001267302296 1178717178 /nfs/dbraw/zinc/71/71/78/1178717178.db2.gz OOEYMXHOCTXBDI-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001267557872 1179358231 /nfs/dbraw/zinc/35/82/31/1179358231.db2.gz OBXVSXDCYHOHPG-DLBZAZTESA-N 2 1 330.476 2.240 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001267584815 1179544431 /nfs/dbraw/zinc/54/44/31/1179544431.db2.gz JAGUMYNFUTYEJB-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001267584815 1179544434 /nfs/dbraw/zinc/54/44/34/1179544434.db2.gz JAGUMYNFUTYEJB-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001267584815 1179544440 /nfs/dbraw/zinc/54/44/40/1179544440.db2.gz JAGUMYNFUTYEJB-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001267584815 1179544447 /nfs/dbraw/zinc/54/44/47/1179544447.db2.gz JAGUMYNFUTYEJB-PMACEKPBSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001481200648 1180088094 /nfs/dbraw/zinc/08/80/94/1180088094.db2.gz QWGOPPKNUCNAKU-UHFFFAOYSA-N 2 1 345.531 2.348 10 30 EEEEMP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267767330 1180454792 /nfs/dbraw/zinc/45/47/92/1180454792.db2.gz PCJDRXNTZTYKDJ-LJQANCHMSA-N 2 1 339.483 2.055 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001267914951 1180755863 /nfs/dbraw/zinc/75/58/63/1180755863.db2.gz SJESEVSNWRHSQD-IBGZPJMESA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001267966669 1180865944 /nfs/dbraw/zinc/86/59/44/1180865944.db2.gz OOXBOBHNPCTILE-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001267966669 1180865952 /nfs/dbraw/zinc/86/59/52/1180865952.db2.gz OOXBOBHNPCTILE-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268078665 1181686939 /nfs/dbraw/zinc/68/69/39/1181686939.db2.gz HFDYINYVLWVRMJ-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173163 1183500043 /nfs/dbraw/zinc/50/00/43/1183500043.db2.gz GXIXHLMNJSZFAJ-MRXNPFEDSA-N 2 1 349.906 2.374 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268695323 1183617299 /nfs/dbraw/zinc/61/72/99/1183617299.db2.gz ZQQSOQHDEIIGES-ICSRJNTNSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(I)cc1 ZINC000383194268 1185483866 /nfs/dbraw/zinc/48/38/66/1185483866.db2.gz SOJGIHKVJNJTBE-UHFFFAOYSA-N 2 1 342.224 2.336 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(I)cc1 ZINC000383194268 1185483872 /nfs/dbraw/zinc/48/38/72/1185483872.db2.gz SOJGIHKVJNJTBE-UHFFFAOYSA-N 2 1 342.224 2.336 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001272762905 1193485064 /nfs/dbraw/zinc/48/50/64/1193485064.db2.gz HEKPLUBEIZUGNO-QAQDUYKDSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001482841379 1187761077 /nfs/dbraw/zinc/76/10/77/1187761077.db2.gz GLMAWDMYBRUVOO-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001482841379 1187761083 /nfs/dbraw/zinc/76/10/83/1187761083.db2.gz GLMAWDMYBRUVOO-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001691809626 1188268532 /nfs/dbraw/zinc/26/85/32/1188268532.db2.gz OTGGXYAQSKZDSQ-UHFFFAOYSA-N 2 1 336.505 2.034 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001691809626 1188268534 /nfs/dbraw/zinc/26/85/34/1188268534.db2.gz OTGGXYAQSKZDSQ-UHFFFAOYSA-N 2 1 336.505 2.034 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001272227180 1188432574 /nfs/dbraw/zinc/43/25/74/1188432574.db2.gz UFJGBGSYNYIYJG-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001483136104 1188685344 /nfs/dbraw/zinc/68/53/44/1188685344.db2.gz FDOGITJEXMCMHV-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001483136104 1188685347 /nfs/dbraw/zinc/68/53/47/1188685347.db2.gz FDOGITJEXMCMHV-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002994 1191151879 /nfs/dbraw/zinc/15/18/79/1191151879.db2.gz ZNIQENFJVKJZLR-BMFZPTHFSA-N 2 1 327.900 2.344 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001484467360 1191371847 /nfs/dbraw/zinc/37/18/47/1191371847.db2.gz HFSQQINHCSOBHR-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001484467360 1191371850 /nfs/dbraw/zinc/37/18/50/1191371850.db2.gz HFSQQINHCSOBHR-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467360 1191371851 /nfs/dbraw/zinc/37/18/51/1191371851.db2.gz HFSQQINHCSOBHR-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467360 1191371854 /nfs/dbraw/zinc/37/18/54/1191371854.db2.gz HFSQQINHCSOBHR-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC001485030879 1191621710 /nfs/dbraw/zinc/62/17/10/1191621710.db2.gz MLYYLPDXSDEGIW-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001485030879 1191621712 /nfs/dbraw/zinc/62/17/12/1191621712.db2.gz MLYYLPDXSDEGIW-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001485030879 1191621714 /nfs/dbraw/zinc/62/17/14/1191621714.db2.gz MLYYLPDXSDEGIW-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001485512274 1191815696 /nfs/dbraw/zinc/81/56/96/1191815696.db2.gz MUGMGLXKSFFWOU-KBPBESRZSA-N 2 1 334.464 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1CCCCC1 ZINC001273428724 1198812180 /nfs/dbraw/zinc/81/21/80/1198812180.db2.gz YMODKESIAPDKGN-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1CCCCC1 ZINC001273428724 1198812183 /nfs/dbraw/zinc/81/21/83/1198812183.db2.gz YMODKESIAPDKGN-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000131143268 1202024607 /nfs/dbraw/zinc/02/46/07/1202024607.db2.gz JMUIFVZGOFCBMW-UHFFFAOYSA-N 2 1 338.459 2.356 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001275185168 1205277160 /nfs/dbraw/zinc/27/71/60/1205277160.db2.gz PLJMFBOZXVKHHO-KYNGSXCRSA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001275185168 1205277161 /nfs/dbraw/zinc/27/71/61/1205277161.db2.gz PLJMFBOZXVKHHO-KYNGSXCRSA-N 2 1 343.446 2.005 10 30 EEEEMP C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272555 1205863773 /nfs/dbraw/zinc/86/37/73/1205863773.db2.gz ZPRTYLZHUDXJLX-KRWDZBQOSA-N 2 1 338.455 2.078 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001489334753 1290518297 /nfs/dbraw/zinc/51/82/97/1290518297.db2.gz BSPSRXLHJPVVJM-DZGCQCFKSA-N 2 1 348.516 2.034 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001489334753 1290518304 /nfs/dbraw/zinc/51/83/04/1290518304.db2.gz BSPSRXLHJPVVJM-DZGCQCFKSA-N 2 1 348.516 2.034 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)cnc1C#N ZINC000853798266 1292457004 /nfs/dbraw/zinc/45/70/04/1292457004.db2.gz LWGLRUMLSZVSRD-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)cnc1C#N ZINC000853798266 1292457011 /nfs/dbraw/zinc/45/70/11/1292457011.db2.gz LWGLRUMLSZVSRD-UHFFFAOYSA-N 2 1 329.370 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)CCC=C)C2 ZINC001276863023 1299974554 /nfs/dbraw/zinc/97/45/54/1299974554.db2.gz VYEZWNAXVYQGQO-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)CCC=C)C2 ZINC001276863023 1299974557 /nfs/dbraw/zinc/97/45/57/1299974557.db2.gz VYEZWNAXVYQGQO-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](C)CCC=C)C2 ZINC001276863023 1299974562 /nfs/dbraw/zinc/97/45/62/1299974562.db2.gz VYEZWNAXVYQGQO-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](C)CCC=C)C2 ZINC001276863023 1299974564 /nfs/dbraw/zinc/97/45/64/1299974564.db2.gz VYEZWNAXVYQGQO-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001277074960 1301163730 /nfs/dbraw/zinc/16/37/30/1301163730.db2.gz QAKZUDAOOHHLGH-MXVIHJGJSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655939 1304110999 /nfs/dbraw/zinc/11/09/99/1304110999.db2.gz VEQZAHQRBMUZDX-PMACEKPBSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655939 1304111005 /nfs/dbraw/zinc/11/10/05/1304111005.db2.gz VEQZAHQRBMUZDX-PMACEKPBSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001277845195 1304846672 /nfs/dbraw/zinc/84/66/72/1304846672.db2.gz LAONVSJNHPVWND-PBHICJAKSA-N 2 1 333.501 2.091 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001277845195 1304846677 /nfs/dbraw/zinc/84/66/77/1304846677.db2.gz LAONVSJNHPVWND-PBHICJAKSA-N 2 1 333.501 2.091 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001121955323 1310184615 /nfs/dbraw/zinc/18/46/15/1310184615.db2.gz MAOQNONDHDLRIY-BGYRXZFFSA-N 2 1 346.519 2.154 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278748195 1317959234 /nfs/dbraw/zinc/95/92/34/1317959234.db2.gz XTUUQRZOKIXEHA-OAHLLOKOSA-N 2 1 340.418 2.231 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 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C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001566070716 1125544660 /nfs/dbraw/zinc/54/46/60/1125544660.db2.gz IMLMFPBLTUHUMX-RRUDCUFVSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001566537243 1125706331 /nfs/dbraw/zinc/70/63/31/1125706331.db2.gz LEUKJIZFTDMTMF-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001566537243 1125706333 /nfs/dbraw/zinc/70/63/33/1125706333.db2.gz LEUKJIZFTDMTMF-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543525 1090000290 /nfs/dbraw/zinc/00/02/90/1090000290.db2.gz XYNUTWREADKEAF-HUUCEWRRSA-N 2 1 348.516 2.288 10 30 EEEEMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543525 1090000300 /nfs/dbraw/zinc/00/03/00/1090000300.db2.gz XYNUTWREADKEAF-HUUCEWRRSA-N 2 1 348.516 2.288 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445381563 1091123578 /nfs/dbraw/zinc/12/35/78/1091123578.db2.gz WKJOPQNSYUAQBR-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439358053 1092075830 /nfs/dbraw/zinc/07/58/30/1092075830.db2.gz WKXPVEWUEJEHGH-AWEZNQCLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439358053 1092075838 /nfs/dbraw/zinc/07/58/38/1092075838.db2.gz WKXPVEWUEJEHGH-AWEZNQCLSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001479915174 1099320812 /nfs/dbraw/zinc/32/08/12/1099320812.db2.gz LGAAXENEZILIFG-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001445360550 1100597831 /nfs/dbraw/zinc/59/78/31/1100597831.db2.gz LGEJRUOZSBDTCS-KDOFPFPSSA-N 2 1 346.450 2.164 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001496533314 1101132891 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2.102 10 30 EEEEMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769757 1107079706 /nfs/dbraw/zinc/07/97/06/1107079706.db2.gz BYMILYOWUNMHMZ-KRWDZBQOSA-N 2 1 327.472 2.007 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498280938 1107206923 /nfs/dbraw/zinc/20/69/23/1107206923.db2.gz NJNXJVUWZGAYAL-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498280938 1107206926 /nfs/dbraw/zinc/20/69/26/1107206926.db2.gz NJNXJVUWZGAYAL-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498280938 1107206934 /nfs/dbraw/zinc/20/69/34/1107206934.db2.gz NJNXJVUWZGAYAL-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498280938 1107206940 /nfs/dbraw/zinc/20/69/40/1107206940.db2.gz NJNXJVUWZGAYAL-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001505813425 1114209411 /nfs/dbraw/zinc/20/94/11/1114209411.db2.gz PFLCOZKFNHKLDV-KRWDZBQOSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001506858511 1114924654 /nfs/dbraw/zinc/92/46/54/1114924654.db2.gz MOGDLKCWKAALTQ-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001506858511 1114924657 /nfs/dbraw/zinc/92/46/57/1114924657.db2.gz MOGDLKCWKAALTQ-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001568146277 1124326254 /nfs/dbraw/zinc/32/62/54/1124326254.db2.gz OVBNPJZVIYEBAH-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001568238945 1124380280 /nfs/dbraw/zinc/38/02/80/1124380280.db2.gz ASFCVSYAAFLWSH-LJQANCHMSA-N 2 1 339.483 2.151 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001569170129 1125143277 /nfs/dbraw/zinc/14/32/77/1125143277.db2.gz RCPAXNLYLGLKRV-UXHICEINSA-N 2 1 341.499 2.059 10 30 EEEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516318 464064478 /nfs/dbraw/zinc/06/44/78/464064478.db2.gz CRUNDBZGZJNNSF-DOTOQJQBSA-N 2 1 343.475 2.132 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1F ZINC000594438868 468588248 /nfs/dbraw/zinc/58/82/48/468588248.db2.gz QGBBGFQGINDDPS-INIZCTEOSA-N 2 1 343.406 2.347 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799706 471224515 /nfs/dbraw/zinc/22/45/15/471224515.db2.gz FSMOIRFUEXXNHV-UYAOXDASSA-N 2 1 327.472 2.323 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001485727560 1191919491 /nfs/dbraw/zinc/91/94/91/1191919491.db2.gz MLSRUZVEJUEDEH-WMLDXEAASA-N 2 1 348.516 2.479 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001272708077 1191971958 /nfs/dbraw/zinc/97/19/58/1191971958.db2.gz KRVQYJVWOBFFIC-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001272708077 1191971960 /nfs/dbraw/zinc/97/19/60/1191971960.db2.gz KRVQYJVWOBFFIC-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001272734109 1192404433 /nfs/dbraw/zinc/40/44/33/1192404433.db2.gz LIMCFRINDAXDHY-BRWVUGGUSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508490 1176866625 /nfs/dbraw/zinc/86/66/25/1176866625.db2.gz ZYBJNTPQJQSEBC-CALCHBBNSA-N 2 1 331.504 2.195 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892481 1177730610 /nfs/dbraw/zinc/73/06/10/1177730610.db2.gz VWDUWLCSLOLKOM-HOTGVXAUSA-N 2 1 331.460 2.426 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)c(F)c1 ZINC001267243556 1178597496 /nfs/dbraw/zinc/59/74/96/1178597496.db2.gz YTRHNLRKUCQUHC-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)c(F)c1 ZINC001267243556 1178597501 /nfs/dbraw/zinc/59/75/01/1178597501.db2.gz YTRHNLRKUCQUHC-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)c(F)c1 ZINC001267243556 1178597505 /nfs/dbraw/zinc/59/75/05/1178597505.db2.gz YTRHNLRKUCQUHC-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)c(F)c1 ZINC001267243556 1178597507 /nfs/dbraw/zinc/59/75/07/1178597507.db2.gz YTRHNLRKUCQUHC-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)C[NH+]1CCCC1 ZINC001267340419 1178790961 /nfs/dbraw/zinc/79/09/61/1178790961.db2.gz LAYORAYWRLYJFR-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267356212 1178817610 /nfs/dbraw/zinc/81/76/10/1178817610.db2.gz CHXZPACWYKKYMB-MOPGFXCFSA-N 2 1 327.472 2.330 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267473390 1179106962 /nfs/dbraw/zinc/10/69/62/1179106962.db2.gz FDRAPQDLZSXTAT-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001268199248 1181999937 /nfs/dbraw/zinc/99/99/37/1181999937.db2.gz GQFPACQGWBLAJV-UHFFFAOYSA-N 2 1 331.504 2.056 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268549594 1183232284 /nfs/dbraw/zinc/23/22/84/1183232284.db2.gz QSBFCKHUDSQNLP-LIMHQNJXSA-N 2 1 346.500 2.256 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001268743908 1183660432 /nfs/dbraw/zinc/66/04/32/1183660432.db2.gz XNEHQAQRGGJZHH-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001268743908 1183660435 /nfs/dbraw/zinc/66/04/35/1183660435.db2.gz XNEHQAQRGGJZHH-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270623030 1185223654 /nfs/dbraw/zinc/22/36/54/1185223654.db2.gz DHZHTNFEAFZDEX-LJQANCHMSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270623030 1185223658 /nfs/dbraw/zinc/22/36/58/1185223658.db2.gz DHZHTNFEAFZDEX-LJQANCHMSA-N 2 1 346.475 2.431 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001271801367 1186498619 /nfs/dbraw/zinc/49/86/19/1186498619.db2.gz ZELPPRMNQLIBON-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001482665319 1187543687 /nfs/dbraw/zinc/54/36/87/1187543687.db2.gz JGHPPFQPIREMIM-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001670924002 1193528096 /nfs/dbraw/zinc/52/80/96/1193528096.db2.gz REWITUBQDIVXRE-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670924002 1193528098 /nfs/dbraw/zinc/52/80/98/1193528098.db2.gz REWITUBQDIVXRE-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670924002 1193528099 /nfs/dbraw/zinc/52/80/99/1193528099.db2.gz REWITUBQDIVXRE-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483136785 1188690698 /nfs/dbraw/zinc/69/06/98/1188690698.db2.gz CRXCCEWPDVMOED-OAHLLOKOSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001483236150 1190087344 /nfs/dbraw/zinc/08/73/44/1190087344.db2.gz ALERAKWGANDJPY-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001483236150 1190087349 /nfs/dbraw/zinc/08/73/49/1190087349.db2.gz ALERAKWGANDJPY-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001483959371 1191128234 /nfs/dbraw/zinc/12/82/34/1191128234.db2.gz RSZYYPATXDALQJ-KRWDZBQOSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987466 1191143593 /nfs/dbraw/zinc/14/35/93/1191143593.db2.gz QSVGFDLFONJVIJ-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471450 1191801338 /nfs/dbraw/zinc/80/13/38/1191801338.db2.gz HDAVEEVCUDWKFI-OALUTQOASA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001486250341 1193776769 /nfs/dbraw/zinc/77/67/69/1193776769.db2.gz PRGLPKGJENFXIU-ZWKOTPCHSA-N 2 1 327.472 2.139 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520766 1194042238 /nfs/dbraw/zinc/04/22/38/1194042238.db2.gz IRRSHBQKNNRPGM-MSOLQXFVSA-N 2 1 349.519 2.058 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826674935 1204770380 /nfs/dbraw/zinc/77/03/80/1204770380.db2.gz XRKPQOZMQVSXRA-LJQANCHMSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[N@@H+]1CCOC2(CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001274872602 1205194057 /nfs/dbraw/zinc/19/40/57/1205194057.db2.gz NQWIRDZBAWQMEL-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C=CC[N@H+]1CCOC2(CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001274872602 1205194059 /nfs/dbraw/zinc/19/40/59/1205194059.db2.gz NQWIRDZBAWQMEL-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001275177579 1205274767 /nfs/dbraw/zinc/27/47/67/1205274767.db2.gz WDPICLAWHYHOGZ-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001276053370 1205753798 /nfs/dbraw/zinc/75/37/98/1205753798.db2.gz WPPVCKMOBGJFFO-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001276053370 1205753799 /nfs/dbraw/zinc/75/37/99/1205753799.db2.gz WPPVCKMOBGJFFO-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001276219301 1205842772 /nfs/dbraw/zinc/84/27/72/1205842772.db2.gz SOTBAPIVGGZABM-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000923917093 1205926212 /nfs/dbraw/zinc/92/62/12/1205926212.db2.gz DGVPYVWFCMEKES-IBGZPJMESA-N 2 1 346.519 2.180 10 30 EEEEMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001273609742 1281120767 /nfs/dbraw/zinc/12/07/67/1281120767.db2.gz DPSZFVYMPFJEPB-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440497 1291309857 /nfs/dbraw/zinc/30/98/57/1291309857.db2.gz LILCHQKEAACYKR-MJGOQNOKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490440497 1291309867 /nfs/dbraw/zinc/30/98/67/1291309867.db2.gz LILCHQKEAACYKR-MJGOQNOKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001490440497 1291309876 /nfs/dbraw/zinc/30/98/76/1291309876.db2.gz LILCHQKEAACYKR-MJGOQNOKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[C@@H](O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590547 1293575121 /nfs/dbraw/zinc/57/51/21/1293575121.db2.gz WHSBTSLNYKSLJX-IEBWSBKVSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590547 1293575127 /nfs/dbraw/zinc/57/51/27/1293575127.db2.gz WHSBTSLNYKSLJX-IEBWSBKVSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590547 1293575133 /nfs/dbraw/zinc/57/51/33/1293575133.db2.gz WHSBTSLNYKSLJX-IEBWSBKVSA-N 2 1 333.476 2.314 10 30 EEEEMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604060 1293579670 /nfs/dbraw/zinc/57/96/70/1293579670.db2.gz SIULHSHUWAFFOU-RTBURBONSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604060 1293579674 /nfs/dbraw/zinc/57/96/74/1293579674.db2.gz SIULHSHUWAFFOU-RTBURBONSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604060 1293579678 /nfs/dbraw/zinc/57/96/78/1293579678.db2.gz SIULHSHUWAFFOU-RTBURBONSA-N 2 1 333.476 2.312 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001277845196 1304846948 /nfs/dbraw/zinc/84/69/48/1304846948.db2.gz LAONVSJNHPVWND-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001277845196 1304846949 /nfs/dbraw/zinc/84/69/49/1304846949.db2.gz LAONVSJNHPVWND-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001264733936 1322794825 /nfs/dbraw/zinc/79/48/25/1322794825.db2.gz VBLMZEWQBUWLRP-APWZRJJASA-N 2 1 345.487 2.143 10 30 EEEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303785 1323054561 /nfs/dbraw/zinc/05/45/61/1323054561.db2.gz PAWHGNDJIPAYER-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303785 1323054569 /nfs/dbraw/zinc/05/45/69/1323054569.db2.gz PAWHGNDJIPAYER-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303785 1323054577 /nfs/dbraw/zinc/05/45/77/1323054577.db2.gz PAWHGNDJIPAYER-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001265456385 1323164754 /nfs/dbraw/zinc/16/47/54/1323164754.db2.gz QWYLMFRMYPOFEY-KRWDZBQOSA-N 2 1 347.890 2.224 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265622044 1323274317 /nfs/dbraw/zinc/27/43/17/1323274317.db2.gz VRFGBDLRTYELLA-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001279282157 1323864197 /nfs/dbraw/zinc/86/41/97/1323864197.db2.gz VDVOCNNQRAPDGQ-CADBVGFASA-N 2 1 331.504 2.149 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282664951 1325759911 /nfs/dbraw/zinc/75/99/11/1325759911.db2.gz CKFLRWFWLPFZKN-DLBZAZTESA-N 2 1 325.472 2.050 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001283922965 1326321186 /nfs/dbraw/zinc/32/11/86/1326321186.db2.gz LVUWTTYDAVAANV-MAUKXSAKSA-N 2 1 339.443 2.426 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491829305 1330266505 /nfs/dbraw/zinc/26/65/05/1330266505.db2.gz IURCUNPYAFQWJX-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001317360397 1332194651 /nfs/dbraw/zinc/19/46/51/1332194651.db2.gz YXIZITOTXPNCQT-RTBURBONSA-N 2 1 329.488 2.364 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317642727 1332344559 /nfs/dbraw/zinc/34/45/59/1332344559.db2.gz KZDKRSRBXRPILA-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195250 1332663320 /nfs/dbraw/zinc/66/33/20/1332663320.db2.gz GJODJRJWILGBFK-QUCCMNQESA-N 2 1 341.499 2.254 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642809 1332927335 /nfs/dbraw/zinc/92/73/35/1332927335.db2.gz BCMVPMQJKQYYLG-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001322544355 1333280183 /nfs/dbraw/zinc/28/01/83/1333280183.db2.gz WKFZKHSIXNLART-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325053020 1333819176 /nfs/dbraw/zinc/81/91/76/1333819176.db2.gz FTOULZQDXWUFLR-LSDHHAIUSA-N 2 1 331.451 2.222 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325051811 1333819252 /nfs/dbraw/zinc/81/92/52/1333819252.db2.gz RXHYAETWXBUYQK-BZUAXINKSA-N 2 1 343.462 2.366 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325051811 1333819254 /nfs/dbraw/zinc/81/92/54/1333819254.db2.gz RXHYAETWXBUYQK-BZUAXINKSA-N 2 1 343.462 2.366 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325051811 1333819257 /nfs/dbraw/zinc/81/92/57/1333819257.db2.gz RXHYAETWXBUYQK-BZUAXINKSA-N 2 1 343.462 2.366 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001326290368 1334060844 /nfs/dbraw/zinc/06/08/44/1334060844.db2.gz OAFZLXIKXMRGHK-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001326290368 1334060849 /nfs/dbraw/zinc/06/08/49/1334060849.db2.gz OAFZLXIKXMRGHK-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001328485813 1334466476 /nfs/dbraw/zinc/46/64/76/1334466476.db2.gz NPEAUNAAHOLXNK-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001328485813 1334466478 /nfs/dbraw/zinc/46/64/78/1334466478.db2.gz NPEAUNAAHOLXNK-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330916771 1334926544 /nfs/dbraw/zinc/92/65/44/1334926544.db2.gz OHPDSXBNOWROJW-QAPCUYQASA-N 2 1 325.472 2.097 10 30 EEEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566739052 1342618645 /nfs/dbraw/zinc/61/86/45/1342618645.db2.gz TZXANFUGKDPBRA-MRXNPFEDSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566739052 1342618654 /nfs/dbraw/zinc/61/86/54/1342618654.db2.gz TZXANFUGKDPBRA-MRXNPFEDSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001567234417 1342713686 /nfs/dbraw/zinc/71/36/86/1342713686.db2.gz QPRQBCXWKHOGIJ-OAHLLOKOSA-N 2 1 327.432 2.332 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)Cc2ccccc2F)CC1 ZINC001567353680 1342743275 /nfs/dbraw/zinc/74/32/75/1342743275.db2.gz BDLGEWMAOONGOU-UHFFFAOYSA-N 2 1 345.462 2.109 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2ccccc2F)CC1 ZINC001567353680 1342743279 /nfs/dbraw/zinc/74/32/79/1342743279.db2.gz BDLGEWMAOONGOU-UHFFFAOYSA-N 2 1 345.462 2.109 10 30 EEEEMP C=CC[N@@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001567746873 1342833114 /nfs/dbraw/zinc/83/31/14/1342833114.db2.gz PAESOGNBXOPACN-SFHVURJKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001567746873 1342833120 /nfs/dbraw/zinc/83/31/20/1342833120.db2.gz PAESOGNBXOPACN-SFHVURJKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CC[NH+](C)CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001567746873 1342833126 /nfs/dbraw/zinc/83/31/26/1342833126.db2.gz PAESOGNBXOPACN-SFHVURJKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CC[NH+](C)CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001567746873 1342833128 /nfs/dbraw/zinc/83/31/28/1342833128.db2.gz PAESOGNBXOPACN-SFHVURJKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001570079172 1343010088 /nfs/dbraw/zinc/01/00/88/1343010088.db2.gz NWVFJOTUXKHICG-LJQANCHMSA-N 2 1 329.488 2.433 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397889 1343064938 /nfs/dbraw/zinc/06/49/38/1343064938.db2.gz QCGUCSGZOLANNM-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397889 1343064940 /nfs/dbraw/zinc/06/49/40/1343064940.db2.gz QCGUCSGZOLANNM-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001570397889 1343064943 /nfs/dbraw/zinc/06/49/43/1343064943.db2.gz QCGUCSGZOLANNM-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001570667407 1343098946 /nfs/dbraw/zinc/09/89/46/1343098946.db2.gz HIKQSAADSOCSFZ-ACBHZAAOSA-N 2 1 327.472 2.282 10 30 EEEEMP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001570860464 1343124218 /nfs/dbraw/zinc/12/42/18/1343124218.db2.gz UMOUPNNBOKDHKR-CQSZACIVSA-N 2 1 348.516 2.288 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571060524 1343157553 /nfs/dbraw/zinc/15/75/53/1343157553.db2.gz YJVKYQKQBZLFMQ-YTQUADARSA-N 2 1 339.499 2.413 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001571332390 1343185585 /nfs/dbraw/zinc/18/55/85/1343185585.db2.gz DDEPCNBDDSVPJB-UHFFFAOYSA-N 2 1 341.499 2.350 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480449 1357155501 /nfs/dbraw/zinc/15/55/01/1357155501.db2.gz BNPVHVIWPZCEQE-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676820424 1357213219 /nfs/dbraw/zinc/21/32/19/1357213219.db2.gz KXVHUNVRSQIXNC-QWFCFKBJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676820424 1357213221 /nfs/dbraw/zinc/21/32/21/1357213221.db2.gz KXVHUNVRSQIXNC-QWFCFKBJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001656293358 1354221401 /nfs/dbraw/zinc/22/14/01/1354221401.db2.gz KXOIKLBGANXGBW-YESZJQIVSA-N 2 1 330.476 2.294 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001656585218 1354249818 /nfs/dbraw/zinc/24/98/18/1354249818.db2.gz JWDBQGWUPADOMY-QAPCUYQASA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001665410444 1355302842 /nfs/dbraw/zinc/30/28/42/1355302842.db2.gz WJGBHBYMWKJCDJ-SZMVWBNQSA-N 2 1 328.460 2.005 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001665410444 1355302851 /nfs/dbraw/zinc/30/28/51/1355302851.db2.gz WJGBHBYMWKJCDJ-SZMVWBNQSA-N 2 1 328.460 2.005 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765872 1355384870 /nfs/dbraw/zinc/38/48/70/1355384870.db2.gz PHHSHXIIFOOAGD-ROUUACIJSA-N 2 1 347.890 2.270 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001667750552 1355805482 /nfs/dbraw/zinc/80/54/82/1355805482.db2.gz CWRBEELJLBWVGO-UXHICEINSA-N 2 1 341.499 2.059 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001668868879 1356029310 /nfs/dbraw/zinc/02/93/10/1356029310.db2.gz TXDJLPRIXAMNQA-BSCWQEJHSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001668868879 1356029311 /nfs/dbraw/zinc/02/93/11/1356029311.db2.gz TXDJLPRIXAMNQA-BSCWQEJHSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481468 1356347708 /nfs/dbraw/zinc/34/77/08/1356347708.db2.gz LGDDOLVZTGGHNK-QUCCMNQESA-N 2 1 343.515 2.340 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671908125 1356436529 /nfs/dbraw/zinc/43/65/29/1356436529.db2.gz PDLLMJOBHIAHQE-QUCCMNQESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001675048895 1356929286 /nfs/dbraw/zinc/92/92/86/1356929286.db2.gz HIXBLTUCLOVFND-QGZVFWFLSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343066 1356967876 /nfs/dbraw/zinc/96/78/76/1356967876.db2.gz JDFZGKIIGLRZMW-KSSFIOAISA-N 2 1 325.472 2.212 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)C(C)C ZINC001681567418 1358033656 /nfs/dbraw/zinc/03/36/56/1358033656.db2.gz FAQWKOOOTHBNKL-INDMIFKZSA-N 2 1 348.535 2.324 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001689810995 1358306614 /nfs/dbraw/zinc/30/66/14/1358306614.db2.gz UPTZDMDILVHVSL-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747988 779205956 /nfs/dbraw/zinc/20/59/56/779205956.db2.gz TTWARDSZMDRXQY-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001566070714 1125543058 /nfs/dbraw/zinc/54/30/58/1125543058.db2.gz IMLMFPBLTUHUMX-CFMJQPPZSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001566070714 1125543066 /nfs/dbraw/zinc/54/30/66/1125543066.db2.gz IMLMFPBLTUHUMX-CFMJQPPZSA-N 2 1 337.895 2.197 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437987586 1090582334 /nfs/dbraw/zinc/58/23/34/1090582334.db2.gz YVNPFNZBUDQLQH-HOTGVXAUSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001437987586 1090582338 /nfs/dbraw/zinc/58/23/38/1090582338.db2.gz YVNPFNZBUDQLQH-HOTGVXAUSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001437987586 1090582341 /nfs/dbraw/zinc/58/23/41/1090582341.db2.gz YVNPFNZBUDQLQH-HOTGVXAUSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001439783971 1092739945 /nfs/dbraw/zinc/73/99/45/1092739945.db2.gz ODKBYBKNTBZWJL-GJZGRUSLSA-N 2 1 336.867 2.087 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080318 1094093860 /nfs/dbraw/zinc/09/38/60/1094093860.db2.gz CIBBTWYBNUUPDK-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001442228678 1096527128 /nfs/dbraw/zinc/52/71/28/1096527128.db2.gz XXHACJWYCDNQLL-NEPJUHHUSA-N 2 1 341.805 2.060 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001480022029 1099502281 /nfs/dbraw/zinc/50/22/81/1099502281.db2.gz UTLJXGMGNNGDAL-HKUYNNGSSA-N 2 1 331.504 2.149 10 30 EEEEMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001480382520 1100176082 /nfs/dbraw/zinc/17/60/82/1100176082.db2.gz JTLVJQIUJAQOLF-FUHWJXTLSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001496707237 1101308176 /nfs/dbraw/zinc/30/81/76/1101308176.db2.gz MUQNGVQQEBKIDB-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001496707237 1101308184 /nfs/dbraw/zinc/30/81/84/1101308184.db2.gz MUQNGVQQEBKIDB-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001496707237 1101308198 /nfs/dbraw/zinc/30/81/98/1101308198.db2.gz MUQNGVQQEBKIDB-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001497402899 1102435347 /nfs/dbraw/zinc/43/53/47/1102435347.db2.gz DXKVXTBSUNXRSS-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001497402899 1102435348 /nfs/dbraw/zinc/43/53/48/1102435348.db2.gz DXKVXTBSUNXRSS-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC001468760873 1110480017 /nfs/dbraw/zinc/48/00/17/1110480017.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC001468760873 1110480018 /nfs/dbraw/zinc/48/00/18/1110480018.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC001468760873 1110480020 /nfs/dbraw/zinc/48/00/20/1110480020.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001469978516 1110499422 /nfs/dbraw/zinc/49/94/22/1110499422.db2.gz FJCYBORVPGVOPU-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001469978516 1110499423 /nfs/dbraw/zinc/49/94/23/1110499423.db2.gz FJCYBORVPGVOPU-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978516 1110499424 /nfs/dbraw/zinc/49/94/24/1110499424.db2.gz FJCYBORVPGVOPU-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978516 1110499425 /nfs/dbraw/zinc/49/94/25/1110499425.db2.gz FJCYBORVPGVOPU-PKOBYXMFSA-N 2 1 346.519 2.180 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001479401007 1110691410 /nfs/dbraw/zinc/69/14/10/1110691410.db2.gz WSNUZFLFAGSOEE-IIDMSEBBSA-N 2 1 325.472 2.259 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570771 1112375478 /nfs/dbraw/zinc/37/54/78/1112375478.db2.gz UYQVZXXLPWJECR-PKOBYXMFSA-N 2 1 337.483 2.004 10 30 EEEEMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001500018896 1112580837 /nfs/dbraw/zinc/58/08/37/1112580837.db2.gz QZXXUKNCWGLXPK-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001506854454 1114918461 /nfs/dbraw/zinc/91/84/61/1114918461.db2.gz LPWZGIINBPGFOA-GBESFXJTSA-N 2 1 345.531 2.348 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CCN(Cc2ccc(C#N)s2)CC1 ZINC001508228834 1115454160 /nfs/dbraw/zinc/45/41/60/1115454160.db2.gz ZRSAFULXOYORHS-UHFFFAOYSA-N 2 1 346.500 2.210 10 30 EEEEMP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001508228834 1115454162 /nfs/dbraw/zinc/45/41/62/1115454162.db2.gz ZRSAFULXOYORHS-UHFFFAOYSA-N 2 1 346.500 2.210 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001508228834 1115454165 /nfs/dbraw/zinc/45/41/65/1115454165.db2.gz ZRSAFULXOYORHS-UHFFFAOYSA-N 2 1 346.500 2.210 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001508228834 1115454166 /nfs/dbraw/zinc/45/41/66/1115454166.db2.gz ZRSAFULXOYORHS-UHFFFAOYSA-N 2 1 346.500 2.210 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001508228834 1115454169 /nfs/dbraw/zinc/45/41/69/1115454169.db2.gz ZRSAFULXOYORHS-UHFFFAOYSA-N 2 1 346.500 2.210 10 30 EEEEMP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C(C)C ZINC001568338649 1124425931 /nfs/dbraw/zinc/42/59/31/1124425931.db2.gz CWTQGQUOPJJNHE-HXUWFJFHSA-N 2 1 343.515 2.499 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001568642239 1124655136 /nfs/dbraw/zinc/65/51/36/1124655136.db2.gz JWGDJGXRFSGDQS-KNSYAOBUSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001568642239 1124655139 /nfs/dbraw/zinc/65/51/39/1124655139.db2.gz JWGDJGXRFSGDQS-KNSYAOBUSA-N 2 1 339.483 2.282 10 30 EEEEMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330545414 465700313 /nfs/dbraw/zinc/70/03/13/465700313.db2.gz UTNQBFDKQKENDN-LPHOPBHVSA-N 2 1 334.508 2.237 10 30 EEEEMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444097 468590628 /nfs/dbraw/zinc/59/06/28/468590628.db2.gz XPJHWPXCNZVXSM-WDSOQIARSA-N 2 1 342.487 2.424 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000600999778 468713400 /nfs/dbraw/zinc/71/34/00/468713400.db2.gz GNWDVFUAQQPQNE-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP C[N@@H+](C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302800 469201136 /nfs/dbraw/zinc/20/11/36/469201136.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302800 469201143 /nfs/dbraw/zinc/20/11/43/469201143.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302800 469201148 /nfs/dbraw/zinc/20/11/48/469201148.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 2 1 327.472 2.495 10 30 EEEEMP Cc1cccc2c1ncc(C#N)c2NCC[N@@H+](C)CCC[NH+](C)C ZINC000596424692 469262326 /nfs/dbraw/zinc/26/23/26/469262326.db2.gz KNFRHMQNZNSCID-UHFFFAOYSA-N 2 1 325.460 2.132 10 30 EEEEMP Cc1cccc2c1ncc(C#N)c2NCC[N@H+](C)CCC[NH+](C)C ZINC000596424692 469262329 /nfs/dbraw/zinc/26/23/29/469262329.db2.gz KNFRHMQNZNSCID-UHFFFAOYSA-N 2 1 325.460 2.132 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670260 1191889840 /nfs/dbraw/zinc/88/98/40/1191889840.db2.gz PHYYMHMALPGUHS-CALCHBBNSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670260 1191889842 /nfs/dbraw/zinc/88/98/42/1191889842.db2.gz PHYYMHMALPGUHS-CALCHBBNSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670260 1191889844 /nfs/dbraw/zinc/88/98/44/1191889844.db2.gz PHYYMHMALPGUHS-CALCHBBNSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670260 1191889845 /nfs/dbraw/zinc/88/98/45/1191889845.db2.gz PHYYMHMALPGUHS-CALCHBBNSA-N 2 1 327.900 2.250 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001266252155 1176029508 /nfs/dbraw/zinc/02/95/08/1176029508.db2.gz NYLUMVUTNBYALA-SFHVURJKSA-N 2 1 337.483 2.052 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001266352347 1176375582 /nfs/dbraw/zinc/37/55/82/1176375582.db2.gz YMCLIOWNTGLNOD-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001266352347 1176375592 /nfs/dbraw/zinc/37/55/92/1176375592.db2.gz YMCLIOWNTGLNOD-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001266352347 1176375601 /nfs/dbraw/zinc/37/56/01/1176375601.db2.gz YMCLIOWNTGLNOD-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001266352347 1176375610 /nfs/dbraw/zinc/37/56/10/1176375610.db2.gz YMCLIOWNTGLNOD-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691110355 1177589811 /nfs/dbraw/zinc/58/98/11/1177589811.db2.gz NEUFDSRZBXBDAX-ZACQAIPSSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(I)c1 ZINC000328094470 1178933019 /nfs/dbraw/zinc/93/30/19/1178933019.db2.gz JMHGEYDWQVGNFL-UHFFFAOYSA-N 2 1 342.224 2.336 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(I)c1 ZINC000328094470 1178933025 /nfs/dbraw/zinc/93/30/25/1178933025.db2.gz JMHGEYDWQVGNFL-UHFFFAOYSA-N 2 1 342.224 2.336 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001267937292 1180789413 /nfs/dbraw/zinc/78/94/13/1180789413.db2.gz YGSJUMDCNRCVHG-IBGZPJMESA-N 2 1 327.472 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCc1ccccc1 ZINC001268069099 1181666030 /nfs/dbraw/zinc/66/60/30/1181666030.db2.gz SPBPOKJCJGUAFQ-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCc1ccccc1 ZINC001268069099 1181666033 /nfs/dbraw/zinc/66/60/33/1181666033.db2.gz SPBPOKJCJGUAFQ-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001269921088 1184719446 /nfs/dbraw/zinc/71/94/46/1184719446.db2.gz YBUCCFHPQCCCKE-RBUKOAKNSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271665562 1186364700 /nfs/dbraw/zinc/36/47/00/1186364700.db2.gz LFTDICDFUAVQPN-IAGOWNOFSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271853761 1186552665 /nfs/dbraw/zinc/55/26/65/1186552665.db2.gz MRJRUEREPQOYIP-HSALFYBXSA-N 2 1 345.531 2.465 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001272033980 1187101363 /nfs/dbraw/zinc/10/13/63/1187101363.db2.gz YXYBDYUHBKTMFR-PMACEKPBSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001272033980 1187101365 /nfs/dbraw/zinc/10/13/65/1187101365.db2.gz YXYBDYUHBKTMFR-PMACEKPBSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H]1CCc2ccccc21 ZINC001272033980 1187101369 /nfs/dbraw/zinc/10/13/69/1187101369.db2.gz YXYBDYUHBKTMFR-PMACEKPBSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H]1CCc2ccccc21 ZINC001272033980 1187101371 /nfs/dbraw/zinc/10/13/71/1187101371.db2.gz YXYBDYUHBKTMFR-PMACEKPBSA-N 2 1 339.483 2.162 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952621 /nfs/dbraw/zinc/95/26/21/1187952621.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952623 /nfs/dbraw/zinc/95/26/23/1187952623.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952625 /nfs/dbraw/zinc/95/26/25/1187952625.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952626 /nfs/dbraw/zinc/95/26/26/1187952626.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952627 /nfs/dbraw/zinc/95/26/27/1187952627.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001483615919 1190591452 /nfs/dbraw/zinc/59/14/52/1190591452.db2.gz PHLFGPPSULRKCM-GOEBONIOSA-N 2 1 334.464 2.143 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001486135862 1193691767 /nfs/dbraw/zinc/69/17/67/1193691767.db2.gz RJCLNMFWFJRHQG-QFBILLFUSA-N 2 1 345.462 2.096 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001484160909 1191249201 /nfs/dbraw/zinc/24/92/01/1191249201.db2.gz PLJQYNCHFPVHEV-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001484160909 1191249203 /nfs/dbraw/zinc/24/92/03/1191249203.db2.gz PLJQYNCHFPVHEV-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001484160909 1191249204 /nfs/dbraw/zinc/24/92/04/1191249204.db2.gz PLJQYNCHFPVHEV-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001484160909 1191249206 /nfs/dbraw/zinc/24/92/06/1191249206.db2.gz PLJQYNCHFPVHEV-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484165861 1191253404 /nfs/dbraw/zinc/25/34/04/1191253404.db2.gz ZQHPXPOXZQABCQ-LJQANCHMSA-N 2 1 333.520 2.350 10 30 EEEEMP CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCF)CC1 ZINC001484771178 1191514281 /nfs/dbraw/zinc/51/42/81/1191514281.db2.gz PLEZGVGYCVQHMM-KDURUIRLSA-N 2 1 349.494 2.145 10 30 EEEEMP CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCF)CC1 ZINC001484771178 1191514282 /nfs/dbraw/zinc/51/42/82/1191514282.db2.gz PLEZGVGYCVQHMM-KDURUIRLSA-N 2 1 349.494 2.145 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001484792294 1191527379 /nfs/dbraw/zinc/52/73/79/1191527379.db2.gz JYICWWNWQWCCBM-IRXDYDNUSA-N 2 1 337.508 2.011 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001484792294 1191527381 /nfs/dbraw/zinc/52/73/81/1191527381.db2.gz JYICWWNWQWCCBM-IRXDYDNUSA-N 2 1 337.508 2.011 10 30 EEEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001485030624 1191621096 /nfs/dbraw/zinc/62/10/96/1191621096.db2.gz IIBUAHZRTMPYRU-UHFFFAOYSA-N 2 1 332.492 2.489 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081581 1191650463 /nfs/dbraw/zinc/65/04/63/1191650463.db2.gz GBAZPRALBHTHNX-CVEARBPZSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493969301 1191791415 /nfs/dbraw/zinc/79/14/15/1191791415.db2.gz YZFURXUXGMIXTC-GOEBONIOSA-N 2 1 327.900 2.394 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC001273173195 1197321200 /nfs/dbraw/zinc/32/12/00/1197321200.db2.gz GTGPNZRIXWZVLD-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001411256305 1198984155 /nfs/dbraw/zinc/98/41/55/1198984155.db2.gz CRTZDAKEGWHOIH-UHFFFAOYSA-N 2 1 327.831 2.236 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001273980188 1202185467 /nfs/dbraw/zinc/18/54/67/1202185467.db2.gz VPKYSHYCTSTWLX-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001275073037 1205249392 /nfs/dbraw/zinc/24/93/92/1205249392.db2.gz VORFTPDHNJLZKH-FBBABVLZSA-N 2 1 339.483 2.256 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCCC1 ZINC001276231580 1205845784 /nfs/dbraw/zinc/84/57/84/1205845784.db2.gz VNIHWWDNLJXWFE-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928656938 1206408344 /nfs/dbraw/zinc/40/83/44/1206408344.db2.gz GRHURHRKHZCEFW-IBGZPJMESA-N 2 1 339.483 2.112 10 30 EEEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)cc(C#N)c2)C1 ZINC000902326902 1237407827 /nfs/dbraw/zinc/40/78/27/1237407827.db2.gz ZQDQCNQJAZBXPH-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)cc(C#N)c2)C1 ZINC000902326902 1237407831 /nfs/dbraw/zinc/40/78/31/1237407831.db2.gz ZQDQCNQJAZBXPH-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276838830 1299862685 /nfs/dbraw/zinc/86/26/85/1299862685.db2.gz BZSNDQGRBCBORC-GBESFXJTSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200620 1306284672 /nfs/dbraw/zinc/28/46/72/1306284672.db2.gz PHWMKCFPVIDTMD-ZWKOTPCHSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001278667681 1317608083 /nfs/dbraw/zinc/60/80/83/1317608083.db2.gz ICNLSFAUNGIVPR-HXUWFJFHSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001278726609 1317882958 /nfs/dbraw/zinc/88/29/58/1317882958.db2.gz YUWBKZKNMOTPMX-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281070283 1322178543 /nfs/dbraw/zinc/17/85/43/1322178543.db2.gz FTBBQPKVQKGFOM-QFBILLFUSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281070283 1322178546 /nfs/dbraw/zinc/17/85/46/1322178546.db2.gz FTBBQPKVQKGFOM-QFBILLFUSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281070283 1322178551 /nfs/dbraw/zinc/17/85/51/1322178551.db2.gz FTBBQPKVQKGFOM-QFBILLFUSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281070283 1322178555 /nfs/dbraw/zinc/17/85/55/1322178555.db2.gz FTBBQPKVQKGFOM-QFBILLFUSA-N 2 1 327.472 2.057 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CCC ZINC001264586643 1322741048 /nfs/dbraw/zinc/74/10/48/1322741048.db2.gz SDKPWGLVTWZGJH-NZSAHSFTSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001264586643 1322741050 /nfs/dbraw/zinc/74/10/50/1322741050.db2.gz SDKPWGLVTWZGJH-NZSAHSFTSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001264586643 1322741053 /nfs/dbraw/zinc/74/10/53/1322741053.db2.gz SDKPWGLVTWZGJH-NZSAHSFTSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235976 1323003049 /nfs/dbraw/zinc/00/30/49/1323003049.db2.gz ZTTDTZWTDQHVPY-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852219 1323426078 /nfs/dbraw/zinc/42/60/78/1323426078.db2.gz XVFHXWCQOYTMMT-HOTGVXAUSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265930629 1323495353 /nfs/dbraw/zinc/49/53/53/1323495353.db2.gz FWKCHLDCPFTOOH-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001282337992 1325694963 /nfs/dbraw/zinc/69/49/63/1325694963.db2.gz SDLVEQJAZMYHDK-GOSISDBHSA-N 2 1 329.488 2.387 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139557 1332095706 /nfs/dbraw/zinc/09/57/06/1332095706.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139557 1332095710 /nfs/dbraw/zinc/09/57/10/1332095710.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139557 1332095712 /nfs/dbraw/zinc/09/57/12/1332095712.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570707 1332562121 /nfs/dbraw/zinc/56/21/21/1332562121.db2.gz PUAHOZDHHHCNMF-LPHOPBHVSA-N 2 1 345.462 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319470935 1332707320 /nfs/dbraw/zinc/70/73/20/1332707320.db2.gz ACJBRGCROFUGKF-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319470935 1332707323 /nfs/dbraw/zinc/70/73/23/1332707323.db2.gz ACJBRGCROFUGKF-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001324259986 1333644050 /nfs/dbraw/zinc/64/40/50/1333644050.db2.gz DHHRRYRBODXKBM-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001325703049 1333943732 /nfs/dbraw/zinc/94/37/32/1333943732.db2.gz VRBZXSFYTQWTOW-WOJBJXKFSA-N 2 1 339.483 2.255 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001327359341 1334276097 /nfs/dbraw/zinc/27/60/97/1334276097.db2.gz NGULTGAGCWHWIQ-AEFFLSMTSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001329740499 1334705916 /nfs/dbraw/zinc/70/59/16/1334705916.db2.gz DFVWBNXTPWDHIH-RTBURBONSA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668214029 1355901028 /nfs/dbraw/zinc/90/10/28/1355901028.db2.gz HOKMSDPXIZKMHY-IRXDYDNUSA-N 2 1 345.462 2.003 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC001675964492 1357078258 /nfs/dbraw/zinc/07/82/58/1357078258.db2.gz QBUMPRNEMIFAOU-ZWKOTPCHSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838940 1354859939 /nfs/dbraw/zinc/85/99/39/1354859939.db2.gz LYYLELABQIMIDO-CRAIPNDOSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838940 1354859941 /nfs/dbraw/zinc/85/99/41/1354859941.db2.gz LYYLELABQIMIDO-CRAIPNDOSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662838940 1354859944 /nfs/dbraw/zinc/85/99/44/1354859944.db2.gz LYYLELABQIMIDO-CRAIPNDOSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662838940 1354859949 /nfs/dbraw/zinc/85/99/49/1354859949.db2.gz LYYLELABQIMIDO-CRAIPNDOSA-N 2 1 345.491 2.289 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001663967954 1355064137 /nfs/dbraw/zinc/06/41/37/1355064137.db2.gz LLWLDDJKHHHVGO-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001663967954 1355064144 /nfs/dbraw/zinc/06/41/44/1355064144.db2.gz LLWLDDJKHHHVGO-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001666370995 1355518716 /nfs/dbraw/zinc/51/87/16/1355518716.db2.gz PJUDHLJPTNCEEG-LJQANCHMSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667023775 1355634986 /nfs/dbraw/zinc/63/49/86/1355634986.db2.gz QIBTXQXNJNXJJD-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001667181766 1355666124 /nfs/dbraw/zinc/66/61/24/1355666124.db2.gz AYWWFAMOXPIEPX-WMZOPIPTSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001667181764 1355666446 /nfs/dbraw/zinc/66/64/46/1355666446.db2.gz AYWWFAMOXPIEPX-FUHWJXTLSA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001668092236 1355868155 /nfs/dbraw/zinc/86/81/55/1355868155.db2.gz LWVGFWYOINMTLE-KRWDZBQOSA-N 2 1 327.472 2.007 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001668468453 1355946503 /nfs/dbraw/zinc/94/65/03/1355946503.db2.gz ANQBCTRZRMDFTD-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1 ZINC001668868881 1356029918 /nfs/dbraw/zinc/02/99/18/1356029918.db2.gz TXDJLPRIXAMNQA-NJGOIUGXSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1 ZINC001668868881 1356029923 /nfs/dbraw/zinc/02/99/23/1356029923.db2.gz TXDJLPRIXAMNQA-NJGOIUGXSA-N 2 1 343.446 2.246 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001675030237 1356926397 /nfs/dbraw/zinc/92/63/97/1356926397.db2.gz FEUZSGJDYWZOKX-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001675030237 1356926399 /nfs/dbraw/zinc/92/63/99/1356926399.db2.gz FEUZSGJDYWZOKX-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001675252790 1356951709 /nfs/dbraw/zinc/95/17/09/1356951709.db2.gz DXWHMQQJURMGAN-IAGOWNOFSA-N 2 1 325.472 2.050 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106928 1405261995 /nfs/dbraw/zinc/26/19/95/1405261995.db2.gz HQZVHBAXTRWORI-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106930 1405262458 /nfs/dbraw/zinc/26/24/58/1405262458.db2.gz HQZVHBAXTRWORI-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001699258787 1405300009 /nfs/dbraw/zinc/30/00/09/1405300009.db2.gz FJIJWHNMTAXETO-WWAPKCSDSA-N 2 1 340.471 2.051 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001699688624 1405441767 /nfs/dbraw/zinc/44/17/67/1405441767.db2.gz GXENVRNCIWONJQ-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001566128225 1125577014 /nfs/dbraw/zinc/57/70/14/1125577014.db2.gz OVSUTPZTYQWGMZ-UHFFFAOYSA-N 2 1 348.516 2.179 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001440927110 1094180206 /nfs/dbraw/zinc/18/02/06/1094180206.db2.gz VQZKACHBXUBXSH-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001440927110 1094180210 /nfs/dbraw/zinc/18/02/10/1094180210.db2.gz VQZKACHBXUBXSH-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001440927110 1094180212 /nfs/dbraw/zinc/18/02/12/1094180212.db2.gz VQZKACHBXUBXSH-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001440927110 1094180217 /nfs/dbraw/zinc/18/02/17/1094180217.db2.gz VQZKACHBXUBXSH-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206108 1096491988 /nfs/dbraw/zinc/49/19/88/1096491988.db2.gz PFGORKNPOPOLNK-OALUTQOASA-N 2 1 342.487 2.415 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001479979826 1099433287 /nfs/dbraw/zinc/43/32/87/1099433287.db2.gz AXZBYIWMGNTYMR-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480286196 1099993331 /nfs/dbraw/zinc/99/33/31/1099993331.db2.gz NWASGINTRZKPCP-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001496533317 1101133249 /nfs/dbraw/zinc/13/32/49/1101133249.db2.gz GDZOIXVEKIWFKE-ROUUACIJSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC001495487758 1101197919 /nfs/dbraw/zinc/19/79/19/1101197919.db2.gz HRVHCDRHPAEXEN-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC001495487758 1101197924 /nfs/dbraw/zinc/19/79/24/1101197924.db2.gz HRVHCDRHPAEXEN-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001494022273 1103370808 /nfs/dbraw/zinc/37/08/08/1103370808.db2.gz RLHDGKWJMFMOMA-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001494022273 1103370822 /nfs/dbraw/zinc/37/08/22/1103370822.db2.gz RLHDGKWJMFMOMA-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001494022273 1103370830 /nfs/dbraw/zinc/37/08/30/1103370830.db2.gz RLHDGKWJMFMOMA-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001494022273 1103370840 /nfs/dbraw/zinc/37/08/40/1103370840.db2.gz RLHDGKWJMFMOMA-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082372 1103492931 /nfs/dbraw/zinc/49/29/31/1103492931.db2.gz FDICQXBVKSLGPF-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001494732657 1104314220 /nfs/dbraw/zinc/31/42/20/1104314220.db2.gz FLKCGXYHIIDQAA-AWEZNQCLSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001494732657 1104314231 /nfs/dbraw/zinc/31/42/31/1104314231.db2.gz FLKCGXYHIIDQAA-AWEZNQCLSA-N 2 1 334.489 2.042 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493569560 1108333282 /nfs/dbraw/zinc/33/32/82/1108333282.db2.gz KTEFIPSDSULIAE-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480255 1112311402 /nfs/dbraw/zinc/31/14/02/1112311402.db2.gz FRSKCWFOKMMHCS-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)C1CCCCCC1 ZINC001499523137 1112339989 /nfs/dbraw/zinc/33/99/89/1112339989.db2.gz KOCFOWGBHWRLNE-UHFFFAOYSA-N 2 1 343.515 2.106 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052129 1112594388 /nfs/dbraw/zinc/59/43/88/1112594388.db2.gz SJRDTGORCSINMT-MJGOQNOKSA-N 2 1 349.494 2.289 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001500573556 1112950135 /nfs/dbraw/zinc/95/01/35/1112950135.db2.gz FIKZNQKBAKOMQJ-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC=C)CC1 ZINC001505466209 1114001877 /nfs/dbraw/zinc/00/18/77/1114001877.db2.gz UOYPMHUIAZUGNB-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001506486207 1114643532 /nfs/dbraw/zinc/64/35/32/1114643532.db2.gz BJNLOZNEZVYWBR-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001507346613 1115209701 /nfs/dbraw/zinc/20/97/01/1115209701.db2.gz UXKZDKOHSOLEHX-XYJFISCASA-N 2 1 325.472 2.356 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427836 1115263286 /nfs/dbraw/zinc/26/32/86/1115263286.db2.gz LSTYDAMPYNFUIS-GJZGRUSLSA-N 2 1 348.516 2.334 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001508229455 1115455000 /nfs/dbraw/zinc/45/50/00/1115455000.db2.gz KZRDHCCGADKBMA-SFHVURJKSA-N 2 1 343.515 2.435 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001568056595 1124262185 /nfs/dbraw/zinc/26/21/85/1124262185.db2.gz GVBPPRLGJSMIFX-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001568056595 1124262193 /nfs/dbraw/zinc/26/21/93/1124262193.db2.gz GVBPPRLGJSMIFX-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001568278001 1124400348 /nfs/dbraw/zinc/40/03/48/1124400348.db2.gz LCSZFAMLLYYEDD-QUCCMNQESA-N 2 1 341.499 2.072 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001568278001 1124400351 /nfs/dbraw/zinc/40/03/51/1124400351.db2.gz LCSZFAMLLYYEDD-QUCCMNQESA-N 2 1 341.499 2.072 10 30 EEEEMP CCOC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000341883209 465272430 /nfs/dbraw/zinc/27/24/30/465272430.db2.gz MWVSKJQFHBEIJQ-WOJBJXKFSA-N 2 1 336.520 2.487 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000594440438 468589037 /nfs/dbraw/zinc/58/90/37/468589037.db2.gz CHTKOKPAPBPYLM-GOSISDBHSA-N 2 1 346.450 2.271 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000594440438 468589043 /nfs/dbraw/zinc/58/90/43/468589043.db2.gz CHTKOKPAPBPYLM-GOSISDBHSA-N 2 1 346.450 2.271 10 30 EEEEMP CC[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000097013722 528806899 /nfs/dbraw/zinc/80/68/99/528806899.db2.gz QZPVGWPHLNGPDL-MRXNPFEDSA-N 2 1 347.507 2.406 10 30 EEEEMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156809 684144155 /nfs/dbraw/zinc/14/41/55/684144155.db2.gz GVYGSMVFYWDPKT-MHORFTMASA-N 2 1 329.444 2.009 10 30 EEEEMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156809 684144158 /nfs/dbraw/zinc/14/41/58/684144158.db2.gz GVYGSMVFYWDPKT-MHORFTMASA-N 2 1 329.444 2.009 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001485577499 1191845343 /nfs/dbraw/zinc/84/53/43/1191845343.db2.gz ODOOFOGNNQRWIM-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266247174 1176018596 /nfs/dbraw/zinc/01/85/96/1176018596.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266247174 1176018605 /nfs/dbraw/zinc/01/86/05/1176018605.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266247174 1176018614 /nfs/dbraw/zinc/01/86/14/1176018614.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247174 1176018624 /nfs/dbraw/zinc/01/86/24/1176018624.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247174 1176018634 /nfs/dbraw/zinc/01/86/34/1176018634.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266469154 1176595052 /nfs/dbraw/zinc/59/50/52/1176595052.db2.gz GCJLDWOOYNMWAR-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001670523270 1176864333 /nfs/dbraw/zinc/86/43/33/1176864333.db2.gz VWLIBVUDSFWEAC-QYZOEREBSA-N 2 1 327.472 2.002 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001691786845 1178565345 /nfs/dbraw/zinc/56/53/45/1178565345.db2.gz AAKZMVBPSTYWNF-ZWKOTPCHSA-N 2 1 330.476 2.416 10 30 EEEEMP C#CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001691786845 1178565349 /nfs/dbraw/zinc/56/53/49/1178565349.db2.gz AAKZMVBPSTYWNF-ZWKOTPCHSA-N 2 1 330.476 2.416 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030558 /nfs/dbraw/zinc/03/05/58/1180030558.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030564 /nfs/dbraw/zinc/03/05/64/1180030564.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030569 /nfs/dbraw/zinc/03/05/69/1180030569.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001481462675 1181465459 /nfs/dbraw/zinc/46/54/59/1181465459.db2.gz VARFDKPOFZSZIC-GOSISDBHSA-N 2 1 333.520 2.206 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292224 1182184289 /nfs/dbraw/zinc/18/42/89/1182184289.db2.gz WKXZBHFQGXYNFI-PMACEKPBSA-N 2 1 341.499 2.254 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988988 1183094488 /nfs/dbraw/zinc/09/44/88/1183094488.db2.gz WLELPPFYKZKDIG-CVEARBPZSA-N 2 1 327.900 2.299 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001482109652 1183338953 /nfs/dbraw/zinc/33/89/53/1183338953.db2.gz HAEYDNXORZMZKJ-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001482109652 1183338958 /nfs/dbraw/zinc/33/89/58/1183338958.db2.gz HAEYDNXORZMZKJ-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367931 1185528063 /nfs/dbraw/zinc/52/80/63/1185528063.db2.gz CINWNEQIXYJSGS-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397629 1185606980 /nfs/dbraw/zinc/60/69/80/1185606980.db2.gz BVSVYYINRALYLA-PMACEKPBSA-N 2 1 341.499 2.110 10 30 EEEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984272 1185789000 /nfs/dbraw/zinc/78/90/00/1185789000.db2.gz ZEEHDRZKIGHJIC-VQIMIIECSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984272 1185789005 /nfs/dbraw/zinc/78/90/05/1185789005.db2.gz ZEEHDRZKIGHJIC-VQIMIIECSA-N 2 1 330.476 2.158 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001271904175 1186605172 /nfs/dbraw/zinc/60/51/72/1186605172.db2.gz YLTQFAGHQVUNNY-KRWDZBQOSA-N 2 1 334.464 2.191 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001409342218 1189547706 /nfs/dbraw/zinc/54/77/06/1189547706.db2.gz BHSHWJUGFRYNSH-OLZOCXBDSA-N 2 1 348.329 2.356 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001409342194 1189548068 /nfs/dbraw/zinc/54/80/68/1189548068.db2.gz BHSHWJUGFRYNSH-CHWSQXEVSA-N 2 1 348.329 2.356 10 30 EEEEMP C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710222 1189879466 /nfs/dbraw/zinc/87/94/66/1189879466.db2.gz VSDMDJUQBFOVRZ-HSALFYBXSA-N 2 1 339.483 2.016 10 30 EEEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001483587539 1190573880 /nfs/dbraw/zinc/57/38/80/1190573880.db2.gz HPEBZBCOUXEBKS-MAUKXSAKSA-N 2 1 325.472 2.259 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484110564 1191216874 /nfs/dbraw/zinc/21/68/74/1191216874.db2.gz KRUFFWJPROVSEV-VQIMIIECSA-N 2 1 330.476 2.158 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000872178525 1198074299 /nfs/dbraw/zinc/07/42/99/1198074299.db2.gz XMEWHOQCMMRXHO-CYBMUJFWSA-N 2 1 348.838 2.026 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C(C)C ZINC000875087456 1199133132 /nfs/dbraw/zinc/13/31/32/1199133132.db2.gz MMLIEPPNKDPSCH-IPMKNSEASA-N 2 1 348.535 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CCC2CC2)CC1 ZINC001274950333 1205216166 /nfs/dbraw/zinc/21/61/66/1205216166.db2.gz MECMGLYOEZPDQE-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CCC2CC2)CC1 ZINC001274950333 1205216167 /nfs/dbraw/zinc/21/61/67/1205216167.db2.gz MECMGLYOEZPDQE-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CCC2CC2)CC1 ZINC001274950333 1205216170 /nfs/dbraw/zinc/21/61/70/1205216170.db2.gz MECMGLYOEZPDQE-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CCC2CC2)CC1 ZINC001274950333 1205216173 /nfs/dbraw/zinc/21/61/73/1205216173.db2.gz MECMGLYOEZPDQE-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCCCCC1 ZINC000305094144 1216145675 /nfs/dbraw/zinc/14/56/75/1216145675.db2.gz YOTMPXBVUDFIQD-UHFFFAOYSA-N 2 1 330.476 2.210 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000900566070 1234492762 /nfs/dbraw/zinc/49/27/62/1234492762.db2.gz LGRIDXYSFAGJTE-IBGZPJMESA-N 2 1 329.488 2.175 10 30 EEEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048505 1239616499 /nfs/dbraw/zinc/61/64/99/1239616499.db2.gz NSXOVUNCIGOZAK-KXBFYZLASA-N 2 1 336.439 2.371 10 30 EEEEMP CC#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001273823965 1286464257 /nfs/dbraw/zinc/46/42/57/1286464257.db2.gz FZNZCZALHLAPHW-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001273823965 1286464261 /nfs/dbraw/zinc/46/42/61/1286464261.db2.gz FZNZCZALHLAPHW-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001273823965 1286464265 /nfs/dbraw/zinc/46/42/65/1286464265.db2.gz FZNZCZALHLAPHW-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001273823965 1286464268 /nfs/dbraw/zinc/46/42/68/1286464268.db2.gz FZNZCZALHLAPHW-HXUWFJFHSA-N 2 1 341.499 2.285 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146154 1290569905 /nfs/dbraw/zinc/56/99/05/1290569905.db2.gz CZEQYPMXSHWVLG-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590546 1293574266 /nfs/dbraw/zinc/57/42/66/1293574266.db2.gz WHSBTSLNYKSLJX-HKUYNNGSSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590546 1293574273 /nfs/dbraw/zinc/57/42/73/1293574273.db2.gz WHSBTSLNYKSLJX-HKUYNNGSSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590546 1293574279 /nfs/dbraw/zinc/57/42/79/1293574279.db2.gz WHSBTSLNYKSLJX-HKUYNNGSSA-N 2 1 333.476 2.314 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299337 1302259723 /nfs/dbraw/zinc/25/97/23/1302259723.db2.gz QIHGMOWZKQTIFK-IAGOWNOFSA-N 2 1 342.487 2.275 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466008 1310430361 /nfs/dbraw/zinc/43/03/61/1310430361.db2.gz FCTOESRETJZBAJ-NSHGMRRFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466008 1310430368 /nfs/dbraw/zinc/43/03/68/1310430368.db2.gz FCTOESRETJZBAJ-NSHGMRRFSA-N 2 1 349.519 2.177 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001278519984 1317127227 /nfs/dbraw/zinc/12/72/27/1317127227.db2.gz BCLFHVZXUREFEU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC#Cc1ccccc1 ZINC001278519984 1317127230 /nfs/dbraw/zinc/12/72/30/1317127230.db2.gz BCLFHVZXUREFEU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001278520394 1317128159 /nfs/dbraw/zinc/12/81/59/1317128159.db2.gz FTPFAHYXPROXJS-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001278520394 1317128163 /nfs/dbraw/zinc/12/81/63/1317128163.db2.gz FTPFAHYXPROXJS-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001278520394 1317128169 /nfs/dbraw/zinc/12/81/69/1317128169.db2.gz FTPFAHYXPROXJS-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001278520394 1317128173 /nfs/dbraw/zinc/12/81/73/1317128173.db2.gz FTPFAHYXPROXJS-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001278685158 1317707862 /nfs/dbraw/zinc/70/78/62/1317707862.db2.gz SXPXJTLLPRSUKI-QZTJIDSGSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264102297 1322619815 /nfs/dbraw/zinc/61/98/15/1322619815.db2.gz PZDORWMUIDDNSF-MOPGFXCFSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265986557 1323546032 /nfs/dbraw/zinc/54/60/32/1323546032.db2.gz HUVOSKUHAXSJLZ-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265986557 1323546039 /nfs/dbraw/zinc/54/60/39/1323546039.db2.gz HUVOSKUHAXSJLZ-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001266219988 1323789483 /nfs/dbraw/zinc/78/94/83/1323789483.db2.gz MBNCYRCXZSVFKS-MRXNPFEDSA-N 2 1 333.501 2.417 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001280849252 1324571508 /nfs/dbraw/zinc/57/15/08/1324571508.db2.gz AMKGNIWHGZFJKL-UHFFFAOYSA-N 2 1 329.488 2.160 10 30 EEEEMP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283351212 1326024708 /nfs/dbraw/zinc/02/47/08/1326024708.db2.gz OAUSMICBHXIPCV-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001284095207 1326404456 /nfs/dbraw/zinc/40/44/56/1326404456.db2.gz DQRYCSPQQMLUGW-OKZBNKHCSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492164677 1331029390 /nfs/dbraw/zinc/02/93/90/1331029390.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164677 1331029394 /nfs/dbraw/zinc/02/93/94/1331029394.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164677 1331029399 /nfs/dbraw/zinc/02/93/99/1331029399.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001317258303 1332155938 /nfs/dbraw/zinc/15/59/38/1332155938.db2.gz PEZHMZWPHRKJKN-HOCLYGCPSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001317258303 1332155940 /nfs/dbraw/zinc/15/59/40/1332155940.db2.gz PEZHMZWPHRKJKN-HOCLYGCPSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C(C)C ZINC001319919036 1332797218 /nfs/dbraw/zinc/79/72/18/1332797218.db2.gz RGSMDLUUNMQGTE-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C(C)C ZINC001319919036 1332797220 /nfs/dbraw/zinc/79/72/20/1332797220.db2.gz RGSMDLUUNMQGTE-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001321066894 1333010720 /nfs/dbraw/zinc/01/07/20/1333010720.db2.gz PYKDNIWQLGVRAH-HMTUNPETSA-N 2 1 340.471 2.051 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001321066894 1333010722 /nfs/dbraw/zinc/01/07/22/1333010722.db2.gz PYKDNIWQLGVRAH-HMTUNPETSA-N 2 1 340.471 2.051 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001323684711 1333515962 /nfs/dbraw/zinc/51/59/62/1333515962.db2.gz OOHYZGULAMXKHG-QYZOEREBSA-N 2 1 331.504 2.360 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001327148215 1334234881 /nfs/dbraw/zinc/23/48/81/1334234881.db2.gz RAUIFHKYFYATLT-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001328659359 1334494537 /nfs/dbraw/zinc/49/45/37/1334494537.db2.gz HSKCCMYRCXEXDZ-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F ZINC001329304337 1334623610 /nfs/dbraw/zinc/62/36/10/1334623610.db2.gz XASCLGIKNQLICB-AWEZNQCLSA-N 2 1 347.425 2.111 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F ZINC001329304337 1334623612 /nfs/dbraw/zinc/62/36/12/1334623612.db2.gz XASCLGIKNQLICB-AWEZNQCLSA-N 2 1 347.425 2.111 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614870 1334684783 /nfs/dbraw/zinc/68/47/83/1334684783.db2.gz XSHSJOAATZQMIZ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614870 1334684785 /nfs/dbraw/zinc/68/47/85/1334684785.db2.gz XSHSJOAATZQMIZ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614870 1334684788 /nfs/dbraw/zinc/68/47/88/1334684788.db2.gz XSHSJOAATZQMIZ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614870 1334684790 /nfs/dbraw/zinc/68/47/90/1334684790.db2.gz XSHSJOAATZQMIZ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332114076 1335733165 /nfs/dbraw/zinc/73/31/65/1335733165.db2.gz UQSRRTLSGANNTC-QUCCMNQESA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458538 1335828581 /nfs/dbraw/zinc/82/85/81/1335828581.db2.gz HWSAISIGOAPRMZ-HIFRSBDPSA-N 2 1 347.425 2.273 10 30 EEEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001333004881 1335945623 /nfs/dbraw/zinc/94/56/23/1335945623.db2.gz NKEINOMEUCVGQE-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC001567334831 1342742244 /nfs/dbraw/zinc/74/22/44/1342742244.db2.gz CDWWSMVYIXGUKH-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1 ZINC001567334831 1342742248 /nfs/dbraw/zinc/74/22/48/1342742248.db2.gz CDWWSMVYIXGUKH-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001567334831 1342742249 /nfs/dbraw/zinc/74/22/49/1342742249.db2.gz CDWWSMVYIXGUKH-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001567334831 1342742251 /nfs/dbraw/zinc/74/22/51/1342742251.db2.gz CDWWSMVYIXGUKH-HKUYNNGSSA-N 2 1 327.472 2.283 10 30 EEEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001567746707 1342832715 /nfs/dbraw/zinc/83/27/15/1342832715.db2.gz LMHJSBQFJRVIFI-QGZVFWFLSA-N 2 1 327.488 2.413 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725549 1342934361 /nfs/dbraw/zinc/93/43/61/1342934361.db2.gz AXSAGADVDQBSHQ-FQEVSTJZSA-N 2 1 333.520 2.494 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001569822325 1342952434 /nfs/dbraw/zinc/95/24/34/1342952434.db2.gz YLTZBYZJHGEETG-HOTGVXAUSA-N 2 1 346.475 2.287 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001571490535 1343218451 /nfs/dbraw/zinc/21/84/51/1343218451.db2.gz FSTGULUAMBKIEN-LPHOPBHVSA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001676669934 1357178333 /nfs/dbraw/zinc/17/83/33/1357178333.db2.gz ZCUJZVCCIJIJMG-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821065 1357214155 /nfs/dbraw/zinc/21/41/55/1357214155.db2.gz QLAWQWBXEBLKPX-UYAOXDASSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821065 1357214157 /nfs/dbraw/zinc/21/41/57/1357214157.db2.gz QLAWQWBXEBLKPX-UYAOXDASSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821065 1357214162 /nfs/dbraw/zinc/21/41/62/1357214162.db2.gz QLAWQWBXEBLKPX-UYAOXDASSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001676821065 1357214165 /nfs/dbraw/zinc/21/41/65/1357214165.db2.gz QLAWQWBXEBLKPX-UYAOXDASSA-N 2 1 327.472 2.418 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC001678355955 1357505487 /nfs/dbraw/zinc/50/54/87/1357505487.db2.gz XITBCJLZRILMSN-LJQANCHMSA-N 2 1 348.535 2.430 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC001678355955 1357505489 /nfs/dbraw/zinc/50/54/89/1357505489.db2.gz XITBCJLZRILMSN-LJQANCHMSA-N 2 1 348.535 2.430 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]2C1 ZINC001656839889 1354283315 /nfs/dbraw/zinc/28/33/15/1354283315.db2.gz MOUNPIIDJXLTPB-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC/C=C\CC)C1 ZINC001661724538 1354681264 /nfs/dbraw/zinc/68/12/64/1354681264.db2.gz WGBSEEWJRCUEBE-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001661724538 1354681269 /nfs/dbraw/zinc/68/12/69/1354681269.db2.gz WGBSEEWJRCUEBE-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC/C=C\CC)C1 ZINC001661724538 1354681275 /nfs/dbraw/zinc/68/12/75/1354681275.db2.gz WGBSEEWJRCUEBE-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC/C=C\CC)C1 ZINC001661724538 1354681283 /nfs/dbraw/zinc/68/12/83/1354681283.db2.gz WGBSEEWJRCUEBE-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCC)CC1 ZINC001663123818 1354923342 /nfs/dbraw/zinc/92/33/42/1354923342.db2.gz LCXNWYWOZKKYGM-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001663968813 1355063991 /nfs/dbraw/zinc/06/39/91/1355063991.db2.gz WMBVBNFAUVPFLE-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001667107773 1355649447 /nfs/dbraw/zinc/64/94/47/1355649447.db2.gz HGGNAGXHVWNODM-LPHOPBHVSA-N 2 1 339.499 2.343 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001671796450 1356416719 /nfs/dbraw/zinc/41/67/19/1356416719.db2.gz WTEDDDXBJBYVBU-IBGZPJMESA-N 2 1 339.443 2.285 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538840 1356550681 /nfs/dbraw/zinc/55/06/81/1356550681.db2.gz VDKKAVSIVULOFP-RBUKOAKNSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487505 1356995416 /nfs/dbraw/zinc/99/54/16/1356995416.db2.gz ZKIJKZNNYSTSTB-MSOLQXFVSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487505 1356995420 /nfs/dbraw/zinc/99/54/20/1356995420.db2.gz ZKIJKZNNYSTSTB-MSOLQXFVSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001698933405 1405172318 /nfs/dbraw/zinc/17/23/18/1405172318.db2.gz SKJYDVZNCQTLEC-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001699265693 1405307043 /nfs/dbraw/zinc/30/70/43/1405307043.db2.gz SGBBUAAPJGJBMB-ISZGNANSSA-N 2 1 344.297 2.031 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001699687633 1405440229 /nfs/dbraw/zinc/44/02/29/1405440229.db2.gz IFPNDNMFUGFARZ-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001699687633 1405440233 /nfs/dbraw/zinc/44/02/33/1405440233.db2.gz IFPNDNMFUGFARZ-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001699687633 1405440240 /nfs/dbraw/zinc/44/02/40/1405440240.db2.gz IFPNDNMFUGFARZ-VQTJNVASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699983765 1405626887 /nfs/dbraw/zinc/62/68/87/1405626887.db2.gz DKBXMPPOYRIWEF-FQEVSTJZSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC1(C)C ZINC000940807196 779317192 /nfs/dbraw/zinc/31/71/92/779317192.db2.gz JURYUVGVWZHGON-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC1(C)C ZINC000940807196 779317196 /nfs/dbraw/zinc/31/71/96/779317196.db2.gz JURYUVGVWZHGON-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC1(C)C ZINC000940807196 779317200 /nfs/dbraw/zinc/31/72/00/779317200.db2.gz JURYUVGVWZHGON-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC1(C)C ZINC000940807196 779317203 /nfs/dbraw/zinc/31/72/03/779317203.db2.gz JURYUVGVWZHGON-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)CC2(C)C)CC1 ZINC000941239628 780230656 /nfs/dbraw/zinc/23/06/56/780230656.db2.gz QUUYTNRCQSTIBI-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389470 789485212 /nfs/dbraw/zinc/48/52/12/789485212.db2.gz REKXMEUZYIBLFH-OALUTQOASA-N 2 1 343.471 2.010 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001566070715 1125544918 /nfs/dbraw/zinc/54/49/18/1125544918.db2.gz IMLMFPBLTUHUMX-CJWPDFJNSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001566070715 1125544925 /nfs/dbraw/zinc/54/49/25/1125544925.db2.gz IMLMFPBLTUHUMX-CJWPDFJNSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC1CCCC1)C1CC1 ZINC001566590380 1125779667 /nfs/dbraw/zinc/77/96/67/1125779667.db2.gz WTRABLMXXSHLJY-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC1CCCC1)C1CC1 ZINC001566590380 1125779673 /nfs/dbraw/zinc/77/96/73/1125779673.db2.gz WTRABLMXXSHLJY-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCC1)C1CC1 ZINC001566590380 1125779679 /nfs/dbraw/zinc/77/96/79/1125779679.db2.gz WTRABLMXXSHLJY-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCC1)C1CC1 ZINC001566590380 1125779687 /nfs/dbraw/zinc/77/96/87/1125779687.db2.gz WTRABLMXXSHLJY-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001440959095 1094215129 /nfs/dbraw/zinc/21/51/29/1094215129.db2.gz YJSTYVWSDYYJOT-AWEZNQCLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001440959095 1094215134 /nfs/dbraw/zinc/21/51/34/1094215134.db2.gz YJSTYVWSDYYJOT-AWEZNQCLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368722 /nfs/dbraw/zinc/36/87/22/1095368722.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368736 /nfs/dbraw/zinc/36/87/36/1095368736.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368745 /nfs/dbraw/zinc/36/87/45/1095368745.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849715 1095936087 /nfs/dbraw/zinc/93/60/87/1095936087.db2.gz MYJXOQCTMDKFQK-QAPCUYQASA-N 2 1 328.460 2.025 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206100 1096491708 /nfs/dbraw/zinc/49/17/08/1096491708.db2.gz PFGORKNPOPOLNK-MOPGFXCFSA-N 2 1 342.487 2.415 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CC=C(C)C)C2)CC1 ZINC001480087543 1099645329 /nfs/dbraw/zinc/64/53/29/1099645329.db2.gz NLVGFBWLBKEJSB-LJQANCHMSA-N 2 1 345.531 2.468 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861410 1101627143 /nfs/dbraw/zinc/62/71/43/1101627143.db2.gz STBDIHOCRWHRGP-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861410 1101627150 /nfs/dbraw/zinc/62/71/50/1101627150.db2.gz STBDIHOCRWHRGP-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861410 1101627155 /nfs/dbraw/zinc/62/71/55/1101627155.db2.gz STBDIHOCRWHRGP-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001493965157 1103212483 /nfs/dbraw/zinc/21/24/83/1103212483.db2.gz QYBOQONSVTWTFB-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001493965157 1103212496 /nfs/dbraw/zinc/21/24/96/1103212496.db2.gz QYBOQONSVTWTFB-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708531 1106928091 /nfs/dbraw/zinc/92/80/91/1106928091.db2.gz GXVOIUOMNUEYTJ-LSDHHAIUSA-N 2 1 348.516 2.477 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC[NH+](C(C)C)CC1 ZINC001500047610 1112592331 /nfs/dbraw/zinc/59/23/31/1112592331.db2.gz VUKHKUISLHMQET-KRWDZBQOSA-N 2 1 342.487 2.089 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500054356 1112595210 /nfs/dbraw/zinc/59/52/10/1112595210.db2.gz NGIMRIUJLVZZMP-IRXDYDNUSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523124 1112915805 /nfs/dbraw/zinc/91/58/05/1112915805.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523124 1112915811 /nfs/dbraw/zinc/91/58/11/1112915811.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523124 1112915815 /nfs/dbraw/zinc/91/58/15/1112915815.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 2 1 337.483 2.050 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCOCC1 ZINC001500570738 1112948720 /nfs/dbraw/zinc/94/87/20/1112948720.db2.gz LBSPPVRMPBZOST-MRXNPFEDSA-N 2 1 348.491 2.228 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001502473555 1113697478 /nfs/dbraw/zinc/69/74/78/1113697478.db2.gz RQEKVIPFSAWPES-MSOLQXFVSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001505447102 1113982095 /nfs/dbraw/zinc/98/20/95/1113982095.db2.gz ZHTQUOOISPYHOE-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001505447102 1113982098 /nfs/dbraw/zinc/98/20/98/1113982098.db2.gz ZHTQUOOISPYHOE-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001505447102 1113982099 /nfs/dbraw/zinc/98/20/99/1113982099.db2.gz ZHTQUOOISPYHOE-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001507012655 1115053506 /nfs/dbraw/zinc/05/35/06/1115053506.db2.gz UISHWWXBCZBRQB-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001507012655 1115053511 /nfs/dbraw/zinc/05/35/11/1115053511.db2.gz UISHWWXBCZBRQB-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001508137464 1115425454 /nfs/dbraw/zinc/42/54/54/1115425454.db2.gz UITPJUBQMRXESF-JMLCCBQJSA-N 2 1 325.472 2.354 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001568088774 1124292755 /nfs/dbraw/zinc/29/27/55/1124292755.db2.gz CDDVGPDOZOKNJP-MRXNPFEDSA-N 2 1 327.900 2.442 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568645594 1124658602 /nfs/dbraw/zinc/65/86/02/1124658602.db2.gz IVEYABCEDLZOPA-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001569062358 1125073242 /nfs/dbraw/zinc/07/32/42/1125073242.db2.gz XKBAQZXINLWUND-MPGHIAIKSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001569062358 1125073250 /nfs/dbraw/zinc/07/32/50/1125073250.db2.gz XKBAQZXINLWUND-MPGHIAIKSA-N 2 1 331.435 2.079 10 30 EEEEMP Cc1cc(N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)nc(C)[nH+]1 ZINC000352824075 267335248 /nfs/dbraw/zinc/33/52/48/267335248.db2.gz CKFQFYFHRXRPHP-UHFFFAOYSA-N 2 1 328.445 2.180 10 30 EEEEMP CC[C@H](O)[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271634 /nfs/dbraw/zinc/27/16/34/465271634.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@H](O)[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271641 /nfs/dbraw/zinc/27/16/41/465271641.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@H](O)[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271644 /nfs/dbraw/zinc/27/16/44/465271644.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 2 1 336.520 2.241 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246564412 464600491 /nfs/dbraw/zinc/60/04/91/464600491.db2.gz YFFYZKGRPRTADA-WMZOPIPTSA-N 2 1 336.524 2.399 10 30 EEEEMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600719870 468633924 /nfs/dbraw/zinc/63/39/24/468633924.db2.gz LEWNVWRKFLDIOJ-LJQANCHMSA-N 2 1 345.487 2.299 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)ccc1Cl ZINC000597943346 468720004 /nfs/dbraw/zinc/72/00/04/468720004.db2.gz YURKPGICYYYKLE-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)ccc1Cl ZINC000597943346 468720007 /nfs/dbraw/zinc/72/00/07/468720007.db2.gz YURKPGICYYYKLE-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001485779280 1191948418 /nfs/dbraw/zinc/94/84/18/1191948418.db2.gz YXJZGFWCMOGZFA-BHIYHBOVSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCc1cccc(C)c1 ZINC001266284965 1176103737 /nfs/dbraw/zinc/10/37/37/1176103737.db2.gz MHHJTGLWEJICOV-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1cccc(C)c1 ZINC001266284965 1176103741 /nfs/dbraw/zinc/10/37/41/1176103741.db2.gz MHHJTGLWEJICOV-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCc1cccc(C)c1 ZINC001266284965 1176103746 /nfs/dbraw/zinc/10/37/46/1176103746.db2.gz MHHJTGLWEJICOV-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCc1cccc(C)c1 ZINC001266284965 1176103750 /nfs/dbraw/zinc/10/37/50/1176103750.db2.gz MHHJTGLWEJICOV-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001266460421 1176578306 /nfs/dbraw/zinc/57/83/06/1176578306.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCC(C)C)C1 ZINC001266460421 1176578312 /nfs/dbraw/zinc/57/83/12/1176578312.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001266460421 1176578317 /nfs/dbraw/zinc/57/83/17/1176578317.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC(C)C)C1 ZINC001266460421 1176578324 /nfs/dbraw/zinc/57/83/24/1176578324.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC(C)C)C1 ZINC001266460421 1176578329 /nfs/dbraw/zinc/57/83/29/1176578329.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691251355 1177772407 /nfs/dbraw/zinc/77/24/07/1177772407.db2.gz VBPONUHZKFSLFJ-HDMKZQKVSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001267184739 1178449164 /nfs/dbraw/zinc/44/91/64/1178449164.db2.gz FAAZKROBPPODPY-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001267189950 1178461507 /nfs/dbraw/zinc/46/15/07/1178461507.db2.gz BBSVKMCNEMGMSJ-INIZCTEOSA-N 2 1 333.520 2.489 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1cnc[nH]1 ZINC001267324667 1178758619 /nfs/dbraw/zinc/75/86/19/1178758619.db2.gz PPTIUJZIINVUGU-UHFFFAOYSA-N 2 1 338.455 2.221 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267356272 1178817522 /nfs/dbraw/zinc/81/75/22/1178817522.db2.gz CHXZPACWYKKYMB-RTBURBONSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267522725 1179257596 /nfs/dbraw/zinc/25/75/96/1179257596.db2.gz KMPHZWFNYPDNCI-PKOBYXMFSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001267549369 1179335280 /nfs/dbraw/zinc/33/52/80/1179335280.db2.gz DGHUUDCZPHLMQZ-HXUWFJFHSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001267584816 1179544596 /nfs/dbraw/zinc/54/45/96/1179544596.db2.gz JAGUMYNFUTYEJB-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001267584816 1179544599 /nfs/dbraw/zinc/54/45/99/1179544599.db2.gz JAGUMYNFUTYEJB-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001267584816 1179544603 /nfs/dbraw/zinc/54/46/03/1179544603.db2.gz JAGUMYNFUTYEJB-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001267584816 1179544606 /nfs/dbraw/zinc/54/46/06/1179544606.db2.gz JAGUMYNFUTYEJB-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481151569 1179929860 /nfs/dbraw/zinc/92/98/60/1179929860.db2.gz KUBNVPWDAMUDGG-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481151569 1179929864 /nfs/dbraw/zinc/92/98/64/1179929864.db2.gz KUBNVPWDAMUDGG-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481151569 1179929866 /nfs/dbraw/zinc/92/98/66/1179929866.db2.gz KUBNVPWDAMUDGG-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267916042 1180758548 /nfs/dbraw/zinc/75/85/48/1180758548.db2.gz NTYPVNGLQGJFDG-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267946866 1180807911 /nfs/dbraw/zinc/80/79/11/1180807911.db2.gz CFIWHYJKCMEWFP-LJQANCHMSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001267989195 1180927584 /nfs/dbraw/zinc/92/75/84/1180927584.db2.gz HWOSKJBAAWPTEF-XLIONFOSSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001267989195 1180927589 /nfs/dbraw/zinc/92/75/89/1180927589.db2.gz HWOSKJBAAWPTEF-XLIONFOSSA-N 2 1 341.499 2.189 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268001214 1180953199 /nfs/dbraw/zinc/95/31/99/1180953199.db2.gz XXZPRZKLYGXUSZ-APWZRJJASA-N 2 1 345.462 2.003 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268184372 1181973138 /nfs/dbraw/zinc/97/31/38/1181973138.db2.gz ANLNVAWSKOVGKY-RHSMWYFYSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268191016 1181979297 /nfs/dbraw/zinc/97/92/97/1181979297.db2.gz GMIMOSUTFRFBPH-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001268373000 1182378327 /nfs/dbraw/zinc/37/83/27/1182378327.db2.gz JSDYXYFCYAKDSK-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001268373000 1182378329 /nfs/dbraw/zinc/37/83/29/1182378329.db2.gz JSDYXYFCYAKDSK-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482109677 1183339877 /nfs/dbraw/zinc/33/98/77/1183339877.db2.gz HIASCWMBTBIYMQ-JSGCOSHPSA-N 2 1 346.313 2.111 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738122 1184753290 /nfs/dbraw/zinc/75/32/90/1184753290.db2.gz SPRYUTNQQQZFSJ-UONOGXRCSA-N 2 1 335.414 2.272 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650828 1185266971 /nfs/dbraw/zinc/26/69/71/1185266971.db2.gz NIDVJJORINMRQZ-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001272033981 1187102147 /nfs/dbraw/zinc/10/21/47/1187102147.db2.gz YXYBDYUHBKTMFR-UXHICEINSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001272033981 1187102149 /nfs/dbraw/zinc/10/21/49/1187102149.db2.gz YXYBDYUHBKTMFR-UXHICEINSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H]1CCc2ccccc21 ZINC001272033981 1187102150 /nfs/dbraw/zinc/10/21/50/1187102150.db2.gz YXYBDYUHBKTMFR-UXHICEINSA-N 2 1 339.483 2.162 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H]1CCc2ccccc21 ZINC001272033981 1187102152 /nfs/dbraw/zinc/10/21/52/1187102152.db2.gz YXYBDYUHBKTMFR-UXHICEINSA-N 2 1 339.483 2.162 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272773077 1193490915 /nfs/dbraw/zinc/49/09/15/1193490915.db2.gz JDSXZFMVANDVNC-KGLIPLIRSA-N 2 1 346.313 2.252 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821843 1193561419 /nfs/dbraw/zinc/56/14/19/1193561419.db2.gz CPFBYONICLBBOB-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H]1C ZINC001486093824 1193679481 /nfs/dbraw/zinc/67/94/81/1193679481.db2.gz QESRHMOVJGUHGM-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727363 1191486815 /nfs/dbraw/zinc/48/68/15/1191486815.db2.gz BVHLEGMARXZEKY-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001486161629 1193707197 /nfs/dbraw/zinc/70/71/97/1193707197.db2.gz PAOPRMQRVIHYAG-USXIJHARSA-N 2 1 346.475 2.143 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691682286 1197488150 /nfs/dbraw/zinc/48/81/50/1197488150.db2.gz HNCGFWFDXVGFMD-HKUYNNGSSA-N 2 1 333.520 2.489 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001273308544 1198014550 /nfs/dbraw/zinc/01/45/50/1198014550.db2.gz LTCNKIFTCCRANX-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734359 1199746789 /nfs/dbraw/zinc/74/67/89/1199746789.db2.gz CZRZSZPHAJZJNR-DLBZAZTESA-N 2 1 335.879 2.485 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001491487105 1259137853 /nfs/dbraw/zinc/13/78/53/1259137853.db2.gz UPAVZXNOZBVFTD-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001491487105 1259137858 /nfs/dbraw/zinc/13/78/58/1259137858.db2.gz UPAVZXNOZBVFTD-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)CO2 ZINC001273714756 1283936517 /nfs/dbraw/zinc/93/65/17/1283936517.db2.gz ZCIHAEOSYBERPW-KRWDZBQOSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001264644228 1322765022 /nfs/dbraw/zinc/76/50/22/1322765022.db2.gz RAYNJXBXOSKACV-QYZOEREBSA-N 2 1 331.504 2.075 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001265368673 1323101838 /nfs/dbraw/zinc/10/18/38/1323101838.db2.gz VXTMPYQHGBQKFZ-MOPGFXCFSA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001279410335 1323900002 /nfs/dbraw/zinc/90/00/02/1323900002.db2.gz WVHAUGJVSUHJRX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410335 1323900006 /nfs/dbraw/zinc/90/00/06/1323900006.db2.gz WVHAUGJVSUHJRX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410335 1323900009 /nfs/dbraw/zinc/90/00/09/1323900009.db2.gz WVHAUGJVSUHJRX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001280198153 1324110889 /nfs/dbraw/zinc/11/08/89/1324110889.db2.gz NXEGNRBTSXUSOS-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282680900 1325764177 /nfs/dbraw/zinc/76/41/77/1325764177.db2.gz DCUKTRPYXSYTNW-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316667495 1330181339 /nfs/dbraw/zinc/18/13/39/1330181339.db2.gz WOOVHFOHHJTQCS-VQTJNVASSA-N 2 1 341.499 2.253 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001491903850 1330297932 /nfs/dbraw/zinc/29/79/32/1330297932.db2.gz GXAMIYKCSVNWAJ-HDICACEKSA-N 2 1 341.499 2.331 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317111707 1332084003 /nfs/dbraw/zinc/08/40/03/1332084003.db2.gz MXWGWOFWYMOUGI-HSALFYBXSA-N 2 1 339.483 2.149 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001317876890 1332439604 /nfs/dbraw/zinc/43/96/04/1332439604.db2.gz PYUXLDNCDJQVRW-UHFFFAOYSA-N 2 1 339.443 2.237 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001321875427 1333171623 /nfs/dbraw/zinc/17/16/23/1333171623.db2.gz HKEPFIZFPZLCRH-GUYCJALGSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001321875427 1333171627 /nfs/dbraw/zinc/17/16/27/1333171627.db2.gz HKEPFIZFPZLCRH-GUYCJALGSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001324397150 1333673974 /nfs/dbraw/zinc/67/39/74/1333673974.db2.gz LYJWZMWBUHJFMF-SOLBZPMBSA-N 2 1 337.483 2.001 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324629840 1333726816 /nfs/dbraw/zinc/72/68/16/1333726816.db2.gz TUGCRKZDEBUILC-LJQANCHMSA-N 2 1 342.443 2.040 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324729341 1333747870 /nfs/dbraw/zinc/74/78/70/1333747870.db2.gz XPLYIPCIAWLDDD-QFBILLFUSA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001325541675 1333907288 /nfs/dbraw/zinc/90/72/88/1333907288.db2.gz DGBVWCLOOVNXMW-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001326350885 1334074105 /nfs/dbraw/zinc/07/41/05/1334074105.db2.gz SHXRDISYPUYVBR-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)CO2 ZINC001327410424 1334286961 /nfs/dbraw/zinc/28/69/61/1334286961.db2.gz AEVGIFUHIIHWAL-ROUUACIJSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001328412577 1334455881 /nfs/dbraw/zinc/45/58/81/1334455881.db2.gz FOQJWXORJYMXOO-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329490038 1334662114 /nfs/dbraw/zinc/66/21/14/1334662114.db2.gz ZDPKRJQYGMQOPN-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001329591929 1334680091 /nfs/dbraw/zinc/68/00/91/1334680091.db2.gz IMPLGRZLTMGQKS-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001329591929 1334680095 /nfs/dbraw/zinc/68/00/95/1334680095.db2.gz IMPLGRZLTMGQKS-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330527507 1334864736 /nfs/dbraw/zinc/86/47/36/1334864736.db2.gz AEVQWMHKFVGGRF-NXHRZFHOSA-N 2 1 325.472 2.023 10 30 EEEEMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001331468327 1335019032 /nfs/dbraw/zinc/01/90/32/1335019032.db2.gz AXJDDLBXYNSDLO-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332901430 1335927729 /nfs/dbraw/zinc/92/77/29/1335927729.db2.gz ZKNJADOWYKOFRR-MSOLQXFVSA-N 2 1 329.488 2.433 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001342917825 1337323757 /nfs/dbraw/zinc/32/37/57/1337323757.db2.gz CIODGHUXKPRBET-DLBZAZTESA-N 2 1 346.523 2.194 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001342917825 1337323759 /nfs/dbraw/zinc/32/37/59/1337323759.db2.gz CIODGHUXKPRBET-DLBZAZTESA-N 2 1 346.523 2.194 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001342917825 1337323762 /nfs/dbraw/zinc/32/37/62/1337323762.db2.gz CIODGHUXKPRBET-DLBZAZTESA-N 2 1 346.523 2.194 10 30 EEEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532432 1342203643 /nfs/dbraw/zinc/20/36/43/1342203643.db2.gz QKPZDAZQFRKRBF-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001506649687 1342302952 /nfs/dbraw/zinc/30/29/52/1342302952.db2.gz JQFAZCPJYZISAS-HNNXBMFYSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C/C=C\Cl)C2CC2)CC1 ZINC001566604363 1342576725 /nfs/dbraw/zinc/57/67/25/1342576725.db2.gz WXNTVUPCEYNYPQ-OQFOIZHKSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967923 1342668945 /nfs/dbraw/zinc/66/89/45/1342668945.db2.gz YUMBSTWVTZORIH-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cccc1Cl ZINC001567024340 1342682048 /nfs/dbraw/zinc/68/20/48/1342682048.db2.gz LGDSTKFWSHJMAB-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cccc1Cl ZINC001567024340 1342682052 /nfs/dbraw/zinc/68/20/52/1342682052.db2.gz LGDSTKFWSHJMAB-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001569442761 1342870935 /nfs/dbraw/zinc/87/09/35/1342870935.db2.gz IIZOTFUVJDOIGX-IHWFROFDSA-N 2 1 339.483 2.253 10 30 EEEEMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001569442761 1342870937 /nfs/dbraw/zinc/87/09/37/1342870937.db2.gz IIZOTFUVJDOIGX-IHWFROFDSA-N 2 1 339.483 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569984050 1342988234 /nfs/dbraw/zinc/98/82/34/1342988234.db2.gz OIWBSOBQYLLGSM-HKUYNNGSSA-N 2 1 345.531 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569984050 1342988236 /nfs/dbraw/zinc/98/82/36/1342988236.db2.gz OIWBSOBQYLLGSM-HKUYNNGSSA-N 2 1 345.531 2.348 10 30 EEEEMP CC#CC[NH2+]CCC[C@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001676144141 1357113775 /nfs/dbraw/zinc/11/37/75/1357113775.db2.gz KCPGVCCWJPRITD-IBGZPJMESA-N 2 1 338.455 2.442 10 30 EEEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(F)c1 ZINC001677644836 1357382462 /nfs/dbraw/zinc/38/24/62/1357382462.db2.gz MVRGRGFERALVRV-OAHLLOKOSA-N 2 1 333.451 2.449 10 30 EEEEMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001660321939 1354439463 /nfs/dbraw/zinc/43/94/63/1354439463.db2.gz NEPVSTMTVWISHF-UHFFFAOYSA-N 2 1 348.516 2.290 10 30 EEEEMP CC#CCN1CCC(N(CCC)C(=O)CCc2cncn2C)CC1 ZINC001661096755 1354590765 /nfs/dbraw/zinc/59/07/65/1354590765.db2.gz CCDVXZIGMLIEMW-UHFFFAOYSA-N 2 1 330.476 2.079 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752504 1354690029 /nfs/dbraw/zinc/69/00/29/1354690029.db2.gz KREUQOJJVRXSPJ-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663684217 1355016502 /nfs/dbraw/zinc/01/65/02/1355016502.db2.gz SNHFOTGITPMTBE-IBGZPJMESA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663684217 1355016510 /nfs/dbraw/zinc/01/65/10/1355016510.db2.gz SNHFOTGITPMTBE-IBGZPJMESA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663684217 1355016515 /nfs/dbraw/zinc/01/65/15/1355016515.db2.gz SNHFOTGITPMTBE-IBGZPJMESA-N 2 1 341.499 2.208 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665793174 1355389963 /nfs/dbraw/zinc/38/99/63/1355389963.db2.gz NOLQRHUXGOYTLP-AYOQOUSVSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001666500865 1355534930 /nfs/dbraw/zinc/53/49/30/1355534930.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001666500865 1355534934 /nfs/dbraw/zinc/53/49/34/1355534934.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001666500865 1355534938 /nfs/dbraw/zinc/53/49/38/1355534938.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667023774 1355634668 /nfs/dbraw/zinc/63/46/68/1355634668.db2.gz QIBTXQXNJNXJJD-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001668468880 1355946635 /nfs/dbraw/zinc/94/66/35/1355946635.db2.gz IUYLIRHUHOUVSV-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001672916725 1356614770 /nfs/dbraw/zinc/61/47/70/1356614770.db2.gz RIQPJQHZEGTPHR-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001674796387 1356897471 /nfs/dbraw/zinc/89/74/71/1356897471.db2.gz HPDYESNZXUPPJD-ACBHZAAOSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001674796387 1356897474 /nfs/dbraw/zinc/89/74/74/1356897474.db2.gz HPDYESNZXUPPJD-ACBHZAAOSA-N 2 1 333.520 2.489 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)O2 ZINC001687937698 1358684668 /nfs/dbraw/zinc/68/46/68/1358684668.db2.gz GBVSYRLSGAARAA-ZWKOTPCHSA-N 2 1 349.519 2.175 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756696 779265608 /nfs/dbraw/zinc/26/56/08/779265608.db2.gz GKYGINZRQDMRPG-RBSFLKMASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756696 779265613 /nfs/dbraw/zinc/26/56/13/779265613.db2.gz GKYGINZRQDMRPG-RBSFLKMASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756696 779265621 /nfs/dbraw/zinc/26/56/21/779265621.db2.gz GKYGINZRQDMRPG-RBSFLKMASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756696 779265625 /nfs/dbraw/zinc/26/56/25/779265625.db2.gz GKYGINZRQDMRPG-RBSFLKMASA-N 2 1 327.900 2.296 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852904 779437155 /nfs/dbraw/zinc/43/71/55/779437155.db2.gz HNNAWNCFTCDJBF-SFHVURJKSA-N 2 1 338.455 2.496 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026716 779736410 /nfs/dbraw/zinc/73/64/10/779736410.db2.gz MRUFFNPVGBSOMI-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026716 779736416 /nfs/dbraw/zinc/73/64/16/779736416.db2.gz MRUFFNPVGBSOMI-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026716 779736421 /nfs/dbraw/zinc/73/64/21/779736421.db2.gz MRUFFNPVGBSOMI-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074693 779792844 /nfs/dbraw/zinc/79/28/44/779792844.db2.gz FFLYLHJIQJPQGE-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941074693 779792853 /nfs/dbraw/zinc/79/28/53/779792853.db2.gz FFLYLHJIQJPQGE-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941074693 779792858 /nfs/dbraw/zinc/79/28/58/779792858.db2.gz FFLYLHJIQJPQGE-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875733 1091803260 /nfs/dbraw/zinc/80/32/60/1091803260.db2.gz FPSHQGOJFKPVMH-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001445875733 1091803263 /nfs/dbraw/zinc/80/32/63/1091803263.db2.gz FPSHQGOJFKPVMH-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001445875733 1091803269 /nfs/dbraw/zinc/80/32/69/1091803269.db2.gz FPSHQGOJFKPVMH-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838275 /nfs/dbraw/zinc/83/82/75/1094838275.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838295 /nfs/dbraw/zinc/83/82/95/1094838295.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838314 /nfs/dbraw/zinc/83/83/14/1094838314.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 2 1 327.900 2.297 10 30 EEEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843635 1099134863 /nfs/dbraw/zinc/13/48/63/1099134863.db2.gz HOLWPISMGDMFFG-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479843635 1099134868 /nfs/dbraw/zinc/13/48/68/1099134868.db2.gz HOLWPISMGDMFFG-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479843635 1099134873 /nfs/dbraw/zinc/13/48/73/1099134873.db2.gz HOLWPISMGDMFFG-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CC=C(C)C)C2)CC1 ZINC001480087542 1099645731 /nfs/dbraw/zinc/64/57/31/1099645731.db2.gz NLVGFBWLBKEJSB-IBGZPJMESA-N 2 1 345.531 2.468 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC001495938490 1101792812 /nfs/dbraw/zinc/79/28/12/1101792812.db2.gz DUZXTGFMZTVYKE-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001447563636 1102868886 /nfs/dbraw/zinc/86/88/86/1102868886.db2.gz HYOPZTPSFZXOFJ-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001493888161 1103048140 /nfs/dbraw/zinc/04/81/40/1103048140.db2.gz DDPCPZIHPVTCEC-RTBURBONSA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001493888161 1103048158 /nfs/dbraw/zinc/04/81/58/1103048158.db2.gz DDPCPZIHPVTCEC-RTBURBONSA-N 2 1 327.472 2.330 10 30 EEEEMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001447684585 1103113427 /nfs/dbraw/zinc/11/34/27/1103113427.db2.gz YMQQIZWGYWQPNY-GOEBONIOSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001498499022 1107639495 /nfs/dbraw/zinc/63/94/95/1107639495.db2.gz WMEDWNFXNQDDRY-ZWKOTPCHSA-N 2 1 330.476 2.260 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498505940 1107649570 /nfs/dbraw/zinc/64/95/70/1107649570.db2.gz VOAJEOHSEAMLMO-MOPGFXCFSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498505940 1107649576 /nfs/dbraw/zinc/64/95/76/1107649576.db2.gz VOAJEOHSEAMLMO-MOPGFXCFSA-N 2 1 327.472 2.016 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500523467 1112916353 /nfs/dbraw/zinc/91/63/53/1112916353.db2.gz XTMOJDZJBRVXNP-YOEHRIQHSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500523467 1112916361 /nfs/dbraw/zinc/91/63/61/1112916361.db2.gz XTMOJDZJBRVXNP-YOEHRIQHSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500523467 1112916368 /nfs/dbraw/zinc/91/63/68/1112916368.db2.gz XTMOJDZJBRVXNP-YOEHRIQHSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500523467 1112916374 /nfs/dbraw/zinc/91/63/74/1112916374.db2.gz XTMOJDZJBRVXNP-YOEHRIQHSA-N 2 1 327.900 2.299 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500616607 1112978744 /nfs/dbraw/zinc/97/87/44/1112978744.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500616607 1112978746 /nfs/dbraw/zinc/97/87/46/1112978746.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500616607 1112978754 /nfs/dbraw/zinc/97/87/54/1112978754.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1F ZINC001502342464 1113636666 /nfs/dbraw/zinc/63/66/66/1113636666.db2.gz WRYAOZRHHXHGHY-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1F ZINC001502342464 1113636670 /nfs/dbraw/zinc/63/66/70/1113636670.db2.gz WRYAOZRHHXHGHY-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1F ZINC001502342464 1113636672 /nfs/dbraw/zinc/63/66/72/1113636672.db2.gz WRYAOZRHHXHGHY-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1F ZINC001502342464 1113636676 /nfs/dbraw/zinc/63/66/76/1113636676.db2.gz WRYAOZRHHXHGHY-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP CC#CC[NH2+][C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390217 1115246921 /nfs/dbraw/zinc/24/69/21/1115246921.db2.gz SWDKLEIYFKBVCV-ICSRJNTNSA-N 2 1 341.499 2.059 10 30 EEEEMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001507451395 1115277338 /nfs/dbraw/zinc/27/73/38/1115277338.db2.gz QPAKQVQADXPPCD-CYBMUJFWSA-N 2 1 346.313 2.063 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001567924319 1124182800 /nfs/dbraw/zinc/18/28/00/1124182800.db2.gz BNKBOFXQIDKOSO-HNNXBMFYSA-N 2 1 348.516 2.384 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001567924319 1124182803 /nfs/dbraw/zinc/18/28/03/1124182803.db2.gz BNKBOFXQIDKOSO-HNNXBMFYSA-N 2 1 348.516 2.384 10 30 EEEEMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000047972686 462844484 /nfs/dbraw/zinc/84/44/84/462844484.db2.gz RISVHDMFFZIUHC-UHFFFAOYSA-N 2 1 346.519 2.479 10 30 EEEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516113 464064664 /nfs/dbraw/zinc/06/46/64/464064664.db2.gz FBDNKNLOADHJAF-KRWDZBQOSA-N 2 1 328.460 2.324 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748419 472234350 /nfs/dbraw/zinc/23/43/50/472234350.db2.gz TVORXXXJYANYRX-ILZDJORESA-N 2 1 327.472 2.464 10 30 EEEEMP C[NH+]=C(NCCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086911631 526366290 /nfs/dbraw/zinc/36/62/90/526366290.db2.gz WGIDSXXJFQMEKY-MQVJKMGUSA-N 2 1 349.548 2.483 10 30 EEEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001272700465 1191863483 /nfs/dbraw/zinc/86/34/83/1191863483.db2.gz JQBZQPUSQRTKKZ-IRXDYDNUSA-N 2 1 327.472 2.319 10 30 EEEEMP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001266392035 1176466068 /nfs/dbraw/zinc/46/60/68/1176466068.db2.gz CLBQWYHNSWILIF-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001266392035 1176466073 /nfs/dbraw/zinc/46/60/73/1176466073.db2.gz CLBQWYHNSWILIF-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C=C(C)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976171 /nfs/dbraw/zinc/97/61/71/1176976171.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976175 /nfs/dbraw/zinc/97/61/75/1176976175.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP C=C(C)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976180 /nfs/dbraw/zinc/97/61/80/1176976180.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)CCC[NH+](C)C ZINC001267249175 1178612113 /nfs/dbraw/zinc/61/21/13/1178612113.db2.gz OZPDRWBHVMPTDY-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)CCC[NH+](C)C ZINC001267249175 1178612117 /nfs/dbraw/zinc/61/21/17/1178612117.db2.gz OZPDRWBHVMPTDY-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267476358 1179113000 /nfs/dbraw/zinc/11/30/00/1179113000.db2.gz ZZGAERNBTUNIFF-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267476358 1179113004 /nfs/dbraw/zinc/11/30/04/1179113004.db2.gz ZZGAERNBTUNIFF-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001481067056 1179673922 /nfs/dbraw/zinc/67/39/22/1179673922.db2.gz ZVJKWYHAAGQWLI-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267789818 1180537512 /nfs/dbraw/zinc/53/75/12/1180537512.db2.gz KZEDGXHZWVPQNK-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267789818 1180537515 /nfs/dbraw/zinc/53/75/15/1180537515.db2.gz KZEDGXHZWVPQNK-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267789818 1180537518 /nfs/dbraw/zinc/53/75/18/1180537518.db2.gz KZEDGXHZWVPQNK-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267789818 1180537521 /nfs/dbraw/zinc/53/75/21/1180537521.db2.gz KZEDGXHZWVPQNK-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481493346 1181558836 /nfs/dbraw/zinc/55/88/36/1181558836.db2.gz WZDLAIJIZXVRQG-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481493346 1181558840 /nfs/dbraw/zinc/55/88/40/1181558840.db2.gz WZDLAIJIZXVRQG-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481493346 1181558845 /nfs/dbraw/zinc/55/88/45/1181558845.db2.gz WZDLAIJIZXVRQG-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817091 1182734055 /nfs/dbraw/zinc/73/40/55/1182734055.db2.gz SMIQXCZGIVTQRQ-RTBURBONSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001482055992 1183256441 /nfs/dbraw/zinc/25/64/41/1183256441.db2.gz SDEQPUCRTQNOMK-QAPCUYQASA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001482055992 1183256447 /nfs/dbraw/zinc/25/64/47/1183256447.db2.gz SDEQPUCRTQNOMK-QAPCUYQASA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482055992 1183256451 /nfs/dbraw/zinc/25/64/51/1183256451.db2.gz SDEQPUCRTQNOMK-QAPCUYQASA-N 2 1 345.491 2.337 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268617242 1183535065 /nfs/dbraw/zinc/53/50/65/1183535065.db2.gz RDTMXBFPRLSELG-PLNGDYQASA-N 2 1 347.890 2.295 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753645 1183670349 /nfs/dbraw/zinc/67/03/49/1183670349.db2.gz VWONDWAIGJLFSU-MJGOQNOKSA-N 2 1 329.488 2.061 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753645 1183670350 /nfs/dbraw/zinc/67/03/50/1183670350.db2.gz VWONDWAIGJLFSU-MJGOQNOKSA-N 2 1 329.488 2.061 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001269191927 1184048120 /nfs/dbraw/zinc/04/81/20/1184048120.db2.gz FLKCGXYHIIDQAA-CQSZACIVSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001269191927 1184048125 /nfs/dbraw/zinc/04/81/25/1184048125.db2.gz FLKCGXYHIIDQAA-CQSZACIVSA-N 2 1 334.489 2.042 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269746774 1184585853 /nfs/dbraw/zinc/58/58/53/1184585853.db2.gz JZLBEGXBOUHOBP-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCCC2)C1 ZINC001270818648 1185419566 /nfs/dbraw/zinc/41/95/66/1185419566.db2.gz ACSQUXASQNBMMM-LJQANCHMSA-N 2 1 339.483 2.008 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001482508598 1186426299 /nfs/dbraw/zinc/42/62/99/1186426299.db2.gz COSKQOULZREWSE-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482508598 1186426303 /nfs/dbraw/zinc/42/63/03/1186426303.db2.gz COSKQOULZREWSE-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482508598 1186426306 /nfs/dbraw/zinc/42/63/06/1186426306.db2.gz COSKQOULZREWSE-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691584288 1188283893 /nfs/dbraw/zinc/28/38/93/1188283893.db2.gz DKEOBQFZPWTNBD-MOPGFXCFSA-N 2 1 331.504 2.056 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001425645943 1189641590 /nfs/dbraw/zinc/64/15/90/1189641590.db2.gz CKLPKEAJTYONBD-XJKSGUPXSA-N 2 1 333.879 2.388 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001485960339 1193659880 /nfs/dbraw/zinc/65/98/80/1193659880.db2.gz DXQCWLBRYGYGCB-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173848 1191253813 /nfs/dbraw/zinc/25/38/13/1191253813.db2.gz IGPUKBOZIKGVSP-HXUWFJFHSA-N 2 1 333.520 2.494 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484198611 1191269776 /nfs/dbraw/zinc/26/97/76/1191269776.db2.gz KETYONOOBFNKFV-HNNXBMFYSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(=C)C)CC1 ZINC001484568698 1191421672 /nfs/dbraw/zinc/42/16/72/1191421672.db2.gz QBBAYRZACXGYGS-FHWLQOOXSA-N 2 1 331.504 2.315 10 30 EEEEMP 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ZINC001265979733 1323539909 /nfs/dbraw/zinc/53/99/09/1323539909.db2.gz RYDGSIIGEGGXET-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001265979733 1323539914 /nfs/dbraw/zinc/53/99/14/1323539914.db2.gz RYDGSIIGEGGXET-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266241898 1323831264 /nfs/dbraw/zinc/83/12/64/1323831264.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266241898 1323831267 /nfs/dbraw/zinc/83/12/67/1323831267.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266241898 1323831274 /nfs/dbraw/zinc/83/12/74/1323831274.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001280350436 1324166311 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330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001492154903 1331018486 /nfs/dbraw/zinc/01/84/86/1331018486.db2.gz XGVGMBPZVJXGSR-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001317369198 1332198631 /nfs/dbraw/zinc/19/86/31/1332198631.db2.gz WOXLRZLXSWIYTK-UXHICEINSA-N 2 1 339.483 2.085 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317449540 1332246945 /nfs/dbraw/zinc/24/69/45/1332246945.db2.gz DEAOPAFIXDPTPB-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317449540 1332246950 /nfs/dbraw/zinc/24/69/50/1332246950.db2.gz DEAOPAFIXDPTPB-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317449540 1332246954 /nfs/dbraw/zinc/24/69/54/1332246954.db2.gz DEAOPAFIXDPTPB-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317449540 1332246956 /nfs/dbraw/zinc/24/69/56/1332246956.db2.gz DEAOPAFIXDPTPB-MOPGFXCFSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770573 1332403687 /nfs/dbraw/zinc/40/36/87/1332403687.db2.gz SMWTYFSBGPTFEX-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001318445639 1332537350 /nfs/dbraw/zinc/53/73/50/1332537350.db2.gz OLDBJKAYDZMQMO-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426855 1333681022 /nfs/dbraw/zinc/68/10/22/1333681022.db2.gz OEIHQGCUNNAQDW-MJGOQNOKSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001325631987 1333928476 /nfs/dbraw/zinc/92/84/76/1333928476.db2.gz JDEHPEVDJUVPTG-OKYOBFRVSA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001325631987 1333928480 /nfs/dbraw/zinc/92/84/80/1333928480.db2.gz JDEHPEVDJUVPTG-OKYOBFRVSA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001325631987 1333928483 /nfs/dbraw/zinc/92/84/83/1333928483.db2.gz JDEHPEVDJUVPTG-OKYOBFRVSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001329936678 1334744100 /nfs/dbraw/zinc/74/41/00/1334744100.db2.gz LPMSDASVMKPLMR-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001329936678 1334744104 /nfs/dbraw/zinc/74/41/04/1334744104.db2.gz LPMSDASVMKPLMR-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001329936678 1334744107 /nfs/dbraw/zinc/74/41/07/1334744107.db2.gz LPMSDASVMKPLMR-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001329936678 1334744111 /nfs/dbraw/zinc/74/41/11/1334744111.db2.gz LPMSDASVMKPLMR-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300976 1334820206 /nfs/dbraw/zinc/82/02/06/1334820206.db2.gz YLEPZIQEKXTPLI-LWYYNNOASA-N 2 1 345.531 2.369 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330818168 1334908663 /nfs/dbraw/zinc/90/86/63/1334908663.db2.gz AEVRNRLFCMTGFA-FRQCXROJSA-N 2 1 342.487 2.273 10 30 EEEEMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(C#N)s1 ZINC001479849890 1337463225 /nfs/dbraw/zinc/46/32/25/1337463225.db2.gz PPCHKCWXBUFARU-UHFFFAOYSA-N 2 1 345.472 2.153 10 30 EEEEMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(C#N)s1 ZINC001479849890 1337463228 /nfs/dbraw/zinc/46/32/28/1337463228.db2.gz PPCHKCWXBUFARU-UHFFFAOYSA-N 2 1 345.472 2.153 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968340 1356445954 /nfs/dbraw/zinc/44/59/54/1356445954.db2.gz KJGZAGIPCJXITJ-GJZGRUSLSA-N 2 1 331.451 2.366 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954638 1342659183 /nfs/dbraw/zinc/65/91/83/1342659183.db2.gz ALMSQOAFRUSEMM-RTBURBONSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954638 1342659185 /nfs/dbraw/zinc/65/91/85/1342659185.db2.gz ALMSQOAFRUSEMM-RTBURBONSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC=C)c1ccccc1 ZINC001567659555 1342806790 /nfs/dbraw/zinc/80/67/90/1342806790.db2.gz ILMPONZJZQUTTR-OALUTQOASA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC=C)c1ccccc1 ZINC001567659555 1342806796 /nfs/dbraw/zinc/80/67/96/1342806796.db2.gz ILMPONZJZQUTTR-OALUTQOASA-N 2 1 325.456 2.107 10 30 EEEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568776486 1342853981 /nfs/dbraw/zinc/85/39/81/1342853981.db2.gz MRIPDRBBIKTRMK-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001569705739 1342927361 /nfs/dbraw/zinc/92/73/61/1342927361.db2.gz XKHVRJNCZXYJQU-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001677620863 1357374491 /nfs/dbraw/zinc/37/44/91/1357374491.db2.gz IVFAMPQERFZFMB-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001677620863 1357374496 /nfs/dbraw/zinc/37/44/96/1357374496.db2.gz IVFAMPQERFZFMB-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001677620863 1357374498 /nfs/dbraw/zinc/37/44/98/1357374498.db2.gz IVFAMPQERFZFMB-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001677636892 1357380838 /nfs/dbraw/zinc/38/08/38/1357380838.db2.gz ZHVYINROYOSBSD-UHFFFAOYSA-N 2 1 346.500 2.208 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001677636892 1357380843 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CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001668320372 1355922617 /nfs/dbraw/zinc/92/26/17/1355922617.db2.gz QALSZCXMDDGFKT-AWEZNQCLSA-N 2 1 334.439 2.022 10 30 EEEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001672391936 1356513886 /nfs/dbraw/zinc/51/38/86/1356513886.db2.gz DGDSYEXFPOQPJU-QZTJIDSGSA-N 2 1 336.439 2.155 10 30 EEEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001672392792 1356514534 /nfs/dbraw/zinc/51/45/34/1356514534.db2.gz PUKWVAZYJKWWRM-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001672987153 1356626845 /nfs/dbraw/zinc/62/68/45/1356626845.db2.gz MBHGIRWZXSFGEQ-CADBVGFASA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001674342562 1356820979 /nfs/dbraw/zinc/82/09/79/1356820979.db2.gz ABLLRBGCPSQEHD-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001674342562 1356820983 /nfs/dbraw/zinc/82/09/83/1356820983.db2.gz ABLLRBGCPSQEHD-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001674342562 1356820986 /nfs/dbraw/zinc/82/09/86/1356820986.db2.gz ABLLRBGCPSQEHD-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001699687632 1405440812 /nfs/dbraw/zinc/44/08/12/1405440812.db2.gz IFPNDNMFUGFARZ-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687632 1405440815 /nfs/dbraw/zinc/44/08/15/1405440815.db2.gz IFPNDNMFUGFARZ-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687632 1405440817 /nfs/dbraw/zinc/44/08/17/1405440817.db2.gz IFPNDNMFUGFARZ-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941033749 779749048 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ZINC001480263280 1099948835 /nfs/dbraw/zinc/94/88/35/1099948835.db2.gz MKDMFOLQSSYKGE-HXUWFJFHSA-N 2 1 341.499 2.012 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480263280 1099948843 /nfs/dbraw/zinc/94/88/43/1099948843.db2.gz MKDMFOLQSSYKGE-HXUWFJFHSA-N 2 1 341.499 2.012 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480263280 1099948854 /nfs/dbraw/zinc/94/88/54/1099948854.db2.gz MKDMFOLQSSYKGE-HXUWFJFHSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCCCCC1 ZINC001497402939 1102435134 /nfs/dbraw/zinc/43/51/34/1102435134.db2.gz GPOVWBAUJHQGNJ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCCCCC1 ZINC001497402939 1102435138 /nfs/dbraw/zinc/43/51/38/1102435138.db2.gz GPOVWBAUJHQGNJ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001498552076 1107707787 /nfs/dbraw/zinc/70/77/87/1107707787.db2.gz NIWVBZCFFUKSHG-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001471336073 1110520860 /nfs/dbraw/zinc/52/08/60/1110520860.db2.gz IXCXQZOXESBIRE-IBGZPJMESA-N 2 1 348.535 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001471336073 1110520861 /nfs/dbraw/zinc/52/08/61/1110520861.db2.gz IXCXQZOXESBIRE-IBGZPJMESA-N 2 1 348.535 2.238 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001479369386 1110687685 /nfs/dbraw/zinc/68/76/85/1110687685.db2.gz RSULPCLPMPZWEG-BZSNNMDCSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001501698267 1113440345 /nfs/dbraw/zinc/44/03/45/1113440345.db2.gz JARRTFLCXVWCIT-MKXGPGLRSA-N 2 1 331.504 2.291 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccccc1C#N ZINC001502401845 1113667343 /nfs/dbraw/zinc/66/73/43/1113667343.db2.gz UDLVLEYSRYDIJZ-UHFFFAOYSA-N 2 1 330.476 2.179 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N ZINC001502401845 1113667345 /nfs/dbraw/zinc/66/73/45/1113667345.db2.gz UDLVLEYSRYDIJZ-UHFFFAOYSA-N 2 1 330.476 2.179 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N ZINC001502401845 1113667347 /nfs/dbraw/zinc/66/73/47/1113667347.db2.gz UDLVLEYSRYDIJZ-UHFFFAOYSA-N 2 1 330.476 2.179 10 30 EEEEMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745494 1114857606 /nfs/dbraw/zinc/85/76/06/1114857606.db2.gz FROTYFGXWNICKW-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745494 1114857608 /nfs/dbraw/zinc/85/76/08/1114857608.db2.gz FROTYFGXWNICKW-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745494 1114857613 /nfs/dbraw/zinc/85/76/13/1114857613.db2.gz FROTYFGXWNICKW-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745494 1114857616 /nfs/dbraw/zinc/85/76/16/1114857616.db2.gz FROTYFGXWNICKW-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001506854238 1114918284 /nfs/dbraw/zinc/91/82/84/1114918284.db2.gz LIFDMYLXVNJBKY-OTWHNJEPSA-N 2 1 342.487 2.212 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001506854238 1114918286 /nfs/dbraw/zinc/91/82/86/1114918286.db2.gz LIFDMYLXVNJBKY-OTWHNJEPSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001507819737 1115352087 /nfs/dbraw/zinc/35/20/87/1115352087.db2.gz RRYAFNHWAODUAL-UHFFFAOYSA-N 2 1 339.443 2.073 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001569202021 1125161182 /nfs/dbraw/zinc/16/11/82/1125161182.db2.gz RTBSWMFVNFGWRM-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569211380 1125167796 /nfs/dbraw/zinc/16/77/96/1125167796.db2.gz ZEIVVDVOFBDDBJ-HNNXBMFYSA-N 2 1 348.516 2.432 10 30 EEEEMP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000590315042 468233928 /nfs/dbraw/zinc/23/39/28/468233928.db2.gz HMTYITXRHMOMDC-ROUUACIJSA-N 2 1 346.519 2.476 10 30 EEEEMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717276 468632016 /nfs/dbraw/zinc/63/20/16/468632016.db2.gz PXHOKWROVUDKLU-ROUUACIJSA-N 2 1 337.508 2.159 10 30 EEEEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000595906347 469075833 /nfs/dbraw/zinc/07/58/33/469075833.db2.gz JTVJVZPNQBBOJL-LJQANCHMSA-N 2 1 331.460 2.370 10 30 EEEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000595906347 469075837 /nfs/dbraw/zinc/07/58/37/469075837.db2.gz JTVJVZPNQBBOJL-LJQANCHMSA-N 2 1 331.460 2.370 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697822 472213485 /nfs/dbraw/zinc/21/34/85/472213485.db2.gz CJYOHCHLUQWBSS-OXJNMPFZSA-N 2 1 327.472 2.248 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876326 526541089 /nfs/dbraw/zinc/54/10/89/526541089.db2.gz OYUHBPOLPTVSFM-INIZCTEOSA-N 2 1 332.492 2.488 10 30 EEEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266431151 1176525713 /nfs/dbraw/zinc/52/57/13/1176525713.db2.gz LCBFILWQPXUQMB-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855995 1177582369 /nfs/dbraw/zinc/58/23/69/1177582369.db2.gz IUMABILXJORZTP-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855995 1177582371 /nfs/dbraw/zinc/58/23/71/1177582371.db2.gz IUMABILXJORZTP-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855995 1177582376 /nfs/dbraw/zinc/58/23/76/1177582376.db2.gz IUMABILXJORZTP-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948224 1177872339 /nfs/dbraw/zinc/87/23/39/1177872339.db2.gz LNAJWWOZDWCXDO-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001692161506 1178008901 /nfs/dbraw/zinc/00/89/01/1178008901.db2.gz IIXGOCQRXISFAD-IBGZPJMESA-N 2 1 339.499 2.441 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266987451 1178043130 /nfs/dbraw/zinc/04/31/30/1178043130.db2.gz QBMQWMSRDFNORU-OAHLLOKOSA-N 2 1 335.879 2.128 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001750938999 1178597377 /nfs/dbraw/zinc/59/73/77/1178597377.db2.gz IUDVGHAMBLBIFW-UHFFFAOYSA-N 2 1 348.516 2.178 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC001267332586 1178771274 /nfs/dbraw/zinc/77/12/74/1178771274.db2.gz GPXSPJZQNSBNJN-UHFFFAOYSA-N 2 1 327.472 2.008 10 30 EEEEMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001267434281 1179004046 /nfs/dbraw/zinc/00/40/46/1179004046.db2.gz VSDPQHAJUGYWBF-UHFFFAOYSA-N 2 1 345.472 2.188 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267522723 1179257326 /nfs/dbraw/zinc/25/73/26/1179257326.db2.gz KMPHZWFNYPDNCI-IEBWSBKVSA-N 2 1 327.472 2.331 10 30 EEEEMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001481280623 1180775217 /nfs/dbraw/zinc/77/52/17/1180775217.db2.gz UOVIFSOFDIAROO-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001481343833 1181078757 /nfs/dbraw/zinc/07/87/57/1181078757.db2.gz WCFPPLWUGBJNTL-WMLDXEAASA-N 2 1 330.476 2.157 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001268224824 1182037013 /nfs/dbraw/zinc/03/70/13/1182037013.db2.gz ORDOPZRLKJEWTM-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001268224824 1182037018 /nfs/dbraw/zinc/03/70/18/1182037018.db2.gz ORDOPZRLKJEWTM-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481813719 1182728580 /nfs/dbraw/zinc/72/85/80/1182728580.db2.gz LZLHOWZWTWVGMO-GBESFXJTSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001482031681 1183169526 /nfs/dbraw/zinc/16/95/26/1183169526.db2.gz WSTKUCOBDWIAJN-FQEVSTJZSA-N 2 1 339.483 2.433 10 30 EEEEMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC[C@@H]1C ZINC001269677089 1184502446 /nfs/dbraw/zinc/50/24/46/1184502446.db2.gz NIMPCTQMLHWTBW-RXVVDRJESA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC[C@@H]1C ZINC001269677089 1184502450 /nfs/dbraw/zinc/50/24/50/1184502450.db2.gz NIMPCTQMLHWTBW-RXVVDRJESA-N 2 1 341.499 2.406 10 30 EEEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001270017452 1184789358 /nfs/dbraw/zinc/78/93/58/1184789358.db2.gz HAEULEFLUSASSO-WKILWMFISA-N 2 1 346.475 2.477 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001270042492 1184808600 /nfs/dbraw/zinc/80/86/00/1184808600.db2.gz QFGSIRNHCWJICF-VPLLLXJESA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737694 1185357614 /nfs/dbraw/zinc/35/76/14/1185357614.db2.gz ROWZJRUYCUDDBQ-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737694 1185357620 /nfs/dbraw/zinc/35/76/20/1185357620.db2.gz ROWZJRUYCUDDBQ-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570606 1186905723 /nfs/dbraw/zinc/90/57/23/1186905723.db2.gz FPBYBOYOXSILAY-GOSISDBHSA-N 2 1 348.466 2.268 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC001483237020 1190124793 /nfs/dbraw/zinc/12/47/93/1190124793.db2.gz XRZYUDKBLACDAN-IYOUNJFTSA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC001483237020 1190124794 /nfs/dbraw/zinc/12/47/94/1190124794.db2.gz XRZYUDKBLACDAN-IYOUNJFTSA-N 2 1 349.425 2.218 10 30 EEEEMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001483343899 1190378125 /nfs/dbraw/zinc/37/81/25/1190378125.db2.gz LABXMXQQAYKHMC-MJGOQNOKSA-N 2 1 347.478 2.155 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001483741867 1190891647 /nfs/dbraw/zinc/89/16/47/1190891647.db2.gz DALGOCUHTYHVSZ-IBGZPJMESA-N 2 1 339.483 2.151 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001484166483 1191254157 /nfs/dbraw/zinc/25/41/57/1191254157.db2.gz HQPWJOBSARBFCT-FQEVSTJZSA-N 2 1 342.487 2.228 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001484409055 1191337680 /nfs/dbraw/zinc/33/76/80/1191337680.db2.gz ITZBHAXEZIVRKN-BBWFWOEESA-N 2 1 325.472 2.023 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462099 1191366451 /nfs/dbraw/zinc/36/64/51/1191366451.db2.gz BELGZZIQBAUBSP-RTBURBONSA-N 2 1 331.504 2.341 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001484550102 1191409803 /nfs/dbraw/zinc/40/98/03/1191409803.db2.gz PPFKJLQOOPJZOR-AWEZNQCLSA-N 2 1 346.313 2.065 10 30 EEEEMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001485009400 1191614454 /nfs/dbraw/zinc/61/44/54/1191614454.db2.gz CLEYROPXMBXVCF-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC001273173058 1197319434 /nfs/dbraw/zinc/31/94/34/1197319434.db2.gz AYUDRTVEGZSOGU-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810633763 1199635326 /nfs/dbraw/zinc/63/53/26/1199635326.db2.gz LZKJBZFFUVJCFK-QAPCUYQASA-N 2 1 326.456 2.476 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001275159421 1205269833 /nfs/dbraw/zinc/26/98/33/1205269833.db2.gz CEBWMOWVRXQIJS-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275159421 1205269834 /nfs/dbraw/zinc/26/98/34/1205269834.db2.gz CEBWMOWVRXQIJS-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275159421 1205269835 /nfs/dbraw/zinc/26/98/35/1205269835.db2.gz CEBWMOWVRXQIJS-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001276137717 1205794970 /nfs/dbraw/zinc/79/49/70/1205794970.db2.gz GLRPDOOFCUQXKQ-IEBWSBKVSA-N 2 1 344.503 2.240 10 30 EEEEMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925782810 1206153416 /nfs/dbraw/zinc/15/34/16/1206153416.db2.gz MRRLHXHUPKMPPO-QGZVFWFLSA-N 2 1 348.441 2.357 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985414 1258543493 /nfs/dbraw/zinc/54/34/93/1258543493.db2.gz YTVSDDJZDAFFRP-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC[NH+]1CCCC1)CO2 ZINC001273729683 1284288873 /nfs/dbraw/zinc/28/88/73/1284288873.db2.gz XXIIDILWJKRCFT-GOSISDBHSA-N 2 1 349.519 2.178 10 30 EEEEMP C[N@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869645 1292221641 /nfs/dbraw/zinc/22/16/41/1292221641.db2.gz DBTWSEBKGXNRMN-VQIMIIECSA-N 2 1 345.512 2.250 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001278681978 1317688752 /nfs/dbraw/zinc/68/87/52/1317688752.db2.gz PEKWGWQYYIUJSV-IBGZPJMESA-N 2 1 330.476 2.213 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001278681978 1317688756 /nfs/dbraw/zinc/68/87/56/1317688756.db2.gz PEKWGWQYYIUJSV-IBGZPJMESA-N 2 1 330.476 2.213 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001279002888 1318970238 /nfs/dbraw/zinc/97/02/38/1318970238.db2.gz QVIMCUMMBSXGOV-BEFAXECRSA-N 2 1 339.499 2.343 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372591 1322678721 /nfs/dbraw/zinc/67/87/21/1322678721.db2.gz IEKQPQQNNBLRLA-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372591 1322678725 /nfs/dbraw/zinc/67/87/25/1322678725.db2.gz IEKQPQQNNBLRLA-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001264372591 1322678729 /nfs/dbraw/zinc/67/87/29/1322678729.db2.gz IEKQPQQNNBLRLA-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264372591 1322678732 /nfs/dbraw/zinc/67/87/32/1322678732.db2.gz IEKQPQQNNBLRLA-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001265554191 1323217548 /nfs/dbraw/zinc/21/75/48/1323217548.db2.gz MWPPSDQTKSZULL-FRYIKTPZSA-N 2 1 339.483 2.005 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001265786953 1323380359 /nfs/dbraw/zinc/38/03/59/1323380359.db2.gz YFGQCLHQAAXDKN-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001265786953 1323380362 /nfs/dbraw/zinc/38/03/62/1323380362.db2.gz YFGQCLHQAAXDKN-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001279273162 1323861215 /nfs/dbraw/zinc/86/12/15/1323861215.db2.gz NLIUAFBTHWEHFR-VJANTYMQSA-N 2 1 333.520 2.252 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282664959 1325759951 /nfs/dbraw/zinc/75/99/51/1325759951.db2.gz CKFLRWFWLPFZKN-IRXDYDNUSA-N 2 1 325.472 2.050 10 30 EEEEMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001317360392 1332194740 /nfs/dbraw/zinc/19/47/40/1332194740.db2.gz YXIZITOTXPNCQT-MOPGFXCFSA-N 2 1 329.488 2.364 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001320464929 1332890298 /nfs/dbraw/zinc/89/02/98/1332890298.db2.gz VVOZUUFNBVGJQE-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329461310 1334655715 /nfs/dbraw/zinc/65/57/15/1334655715.db2.gz UTLNYUKCGIGPIS-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCCC1 ZINC001329461310 1334655717 /nfs/dbraw/zinc/65/57/17/1334655717.db2.gz UTLNYUKCGIGPIS-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCCC1 ZINC001329461310 1334655721 /nfs/dbraw/zinc/65/57/21/1334655721.db2.gz UTLNYUKCGIGPIS-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC1CCCC1 ZINC001329461310 1334655724 /nfs/dbraw/zinc/65/57/24/1334655724.db2.gz UTLNYUKCGIGPIS-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329461310 1334655728 /nfs/dbraw/zinc/65/57/28/1334655728.db2.gz UTLNYUKCGIGPIS-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741650 1334706243 /nfs/dbraw/zinc/70/62/43/1334706243.db2.gz JDOHTUDWUNQTLZ-CFMJQPPZSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741650 1334706247 /nfs/dbraw/zinc/70/62/47/1334706247.db2.gz JDOHTUDWUNQTLZ-CFMJQPPZSA-N 2 1 339.911 2.299 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668214020 1355900863 /nfs/dbraw/zinc/90/08/63/1355900863.db2.gz HMHXOLVVWGKALA-CJNGLKHVSA-N 2 1 333.879 2.436 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001500292314 1342139278 /nfs/dbraw/zinc/13/92/78/1342139278.db2.gz IBTNOEWLAOMVAH-PXDRNWIDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393904 1343063946 /nfs/dbraw/zinc/06/39/46/1343063946.db2.gz RYOVHOBHEKRGOF-HZPDHXFCSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393904 1343063951 /nfs/dbraw/zinc/06/39/51/1343063951.db2.gz RYOVHOBHEKRGOF-HZPDHXFCSA-N 2 1 330.476 2.247 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001570673599 1343100459 /nfs/dbraw/zinc/10/04/59/1343100459.db2.gz HCHSIIVARFHWEP-MRXNPFEDSA-N 2 1 332.492 2.494 10 30 EEEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001571351353 1343194750 /nfs/dbraw/zinc/19/47/50/1343194750.db2.gz QRSUUPIOQHTMRM-SJLPKXTDSA-N 2 1 332.492 2.451 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001676669933 1357178318 /nfs/dbraw/zinc/17/83/18/1357178318.db2.gz ZCUJZVCCIJIJMG-MJGOQNOKSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001673209693 1354183574 /nfs/dbraw/zinc/18/35/74/1354183574.db2.gz FSUBHQSUGBHZKP-GOSISDBHSA-N 2 1 325.472 2.404 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656839591 1354283290 /nfs/dbraw/zinc/28/32/90/1354283290.db2.gz GAXMFMJMBLZVSO-KURKYZTESA-N 2 1 331.504 2.217 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001660464059 1354468628 /nfs/dbraw/zinc/46/86/28/1354468628.db2.gz JFCYSQWUOSZSGC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001662646728 1354819637 /nfs/dbraw/zinc/81/96/37/1354819637.db2.gz VNPWVWMRTWWKQL-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001662646728 1354819645 /nfs/dbraw/zinc/81/96/45/1354819645.db2.gz VNPWVWMRTWWKQL-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001667107772 1355649156 /nfs/dbraw/zinc/64/91/56/1355649156.db2.gz HGGNAGXHVWNODM-APWZRJJASA-N 2 1 339.499 2.343 10 30 EEEEMP C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCF)CC1 ZINC001671507547 1356352759 /nfs/dbraw/zinc/35/27/59/1356352759.db2.gz DHKDMAGMOWEHGW-UHFFFAOYSA-N 2 1 345.462 2.258 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001690846818 1404940086 /nfs/dbraw/zinc/94/00/86/1404940086.db2.gz SBNJJURLFRGQLB-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001690846818 1404940102 /nfs/dbraw/zinc/94/01/02/1404940102.db2.gz SBNJJURLFRGQLB-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699758675 1405469519 /nfs/dbraw/zinc/46/95/19/1405469519.db2.gz MLYUVCWBMCBOAK-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001699805095 1405496305 /nfs/dbraw/zinc/49/63/05/1405496305.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805095 1405496307 /nfs/dbraw/zinc/49/63/07/1405496307.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805095 1405496311 /nfs/dbraw/zinc/49/63/11/1405496311.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385760 789481736 /nfs/dbraw/zinc/48/17/36/789481736.db2.gz HPHXWLBTAJIDMQ-RTBURBONSA-N 2 1 343.471 2.010 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851131 1091488627 /nfs/dbraw/zinc/48/86/27/1091488627.db2.gz QBNZRQFZRUXSER-GOSISDBHSA-N 2 1 348.466 2.268 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001445759333 1091604053 /nfs/dbraw/zinc/60/40/53/1091604053.db2.gz VYYGRISGSXYZKZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001445759333 1091604059 /nfs/dbraw/zinc/60/40/59/1091604059.db2.gz VYYGRISGSXYZKZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445759333 1091604065 /nfs/dbraw/zinc/60/40/65/1091604065.db2.gz VYYGRISGSXYZKZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445759333 1091604072 /nfs/dbraw/zinc/60/40/72/1091604072.db2.gz VYYGRISGSXYZKZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413435 1092182621 /nfs/dbraw/zinc/18/26/21/1092182621.db2.gz YROOAYRRBHAMCI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413435 1092182626 /nfs/dbraw/zinc/18/26/26/1092182626.db2.gz YROOAYRRBHAMCI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001439413435 1092182627 /nfs/dbraw/zinc/18/26/27/1092182627.db2.gz YROOAYRRBHAMCI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001439413435 1092182630 /nfs/dbraw/zinc/18/26/30/1092182630.db2.gz YROOAYRRBHAMCI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001439889114 1092946497 /nfs/dbraw/zinc/94/64/97/1092946497.db2.gz VVPAKVJMQHLEEF-ZOBUZTSGSA-N 2 1 327.900 2.297 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393090 1093390240 /nfs/dbraw/zinc/39/02/40/1093390240.db2.gz HXYDBTJQGBYKQV-SFHVURJKSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393090 1093390248 /nfs/dbraw/zinc/39/02/48/1093390248.db2.gz HXYDBTJQGBYKQV-SFHVURJKSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393090 1093390253 /nfs/dbraw/zinc/39/02/53/1093390253.db2.gz HXYDBTJQGBYKQV-SFHVURJKSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)N(CCN(C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001449254314 1094201812 /nfs/dbraw/zinc/20/18/12/1094201812.db2.gz BQJQWAWUZXJRPA-QGZVFWFLSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[NH+]1C ZINC001449254314 1094201817 /nfs/dbraw/zinc/20/18/17/1094201817.db2.gz BQJQWAWUZXJRPA-QGZVFWFLSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001449254314 1094201820 /nfs/dbraw/zinc/20/18/20/1094201820.db2.gz BQJQWAWUZXJRPA-QGZVFWFLSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001449254314 1094201822 /nfs/dbraw/zinc/20/18/22/1094201822.db2.gz BQJQWAWUZXJRPA-QGZVFWFLSA-N 2 1 348.516 2.383 10 30 EEEEMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174195 1096440311 /nfs/dbraw/zinc/44/03/11/1096440311.db2.gz KLHGNKCLATULQX-MSOLQXFVSA-N 2 1 342.487 2.130 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001443329502 1097833733 /nfs/dbraw/zinc/83/37/33/1097833733.db2.gz WAFVQNHCVIYUIG-XHSDSOJGSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001443329502 1097833739 /nfs/dbraw/zinc/83/37/39/1097833739.db2.gz WAFVQNHCVIYUIG-XHSDSOJGSA-N 2 1 327.900 2.250 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001443329502 1097833749 /nfs/dbraw/zinc/83/37/49/1097833749.db2.gz WAFVQNHCVIYUIG-XHSDSOJGSA-N 2 1 327.900 2.250 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001480100082 1099665384 /nfs/dbraw/zinc/66/53/84/1099665384.db2.gz VCIMBFZIMIZWQN-KURKYZTESA-N 2 1 342.487 2.395 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001480100082 1099665390 /nfs/dbraw/zinc/66/53/90/1099665390.db2.gz VCIMBFZIMIZWQN-KURKYZTESA-N 2 1 342.487 2.395 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521795 1100351895 /nfs/dbraw/zinc/35/18/95/1100351895.db2.gz LFHISYHWFFOKRC-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001496600657 1101201607 /nfs/dbraw/zinc/20/16/07/1101201607.db2.gz WWVJCPQHDZOMED-FUHWJXTLSA-N 2 1 332.492 2.451 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681561 1101427121 /nfs/dbraw/zinc/42/71/21/1101427121.db2.gz HLTLXOAXMAFCLQ-UZLBHIALSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681561 1101427131 /nfs/dbraw/zinc/42/71/31/1101427131.db2.gz HLTLXOAXMAFCLQ-UZLBHIALSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC)c1ccccc1 ZINC001493897376 1103070873 /nfs/dbraw/zinc/07/08/73/1103070873.db2.gz YJHKGJBNGFUAOI-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC)c1ccccc1 ZINC001493897376 1103070889 /nfs/dbraw/zinc/07/08/89/1103070889.db2.gz YJHKGJBNGFUAOI-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC#Cc1ccccc1 ZINC001494983444 1104627179 /nfs/dbraw/zinc/62/71/79/1104627179.db2.gz NSYXKAMSSFAMPW-HSALFYBXSA-N 2 1 341.499 2.253 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978598 1108407335 /nfs/dbraw/zinc/40/73/35/1108407335.db2.gz HEXITTJASXTGNC-HKUYNNGSSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498978598 1108407341 /nfs/dbraw/zinc/40/73/41/1108407341.db2.gz HEXITTJASXTGNC-HKUYNNGSSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498978598 1108407347 /nfs/dbraw/zinc/40/73/47/1108407347.db2.gz HEXITTJASXTGNC-HKUYNNGSSA-N 2 1 349.519 2.034 10 30 EEEEMP OC1(C[NH+]2CCCCC2)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001460945779 1110329375 /nfs/dbraw/zinc/32/93/75/1110329375.db2.gz PBKQRFLFJJSVLG-UHFFFAOYSA-N 2 1 330.447 2.490 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001499530988 1112346850 /nfs/dbraw/zinc/34/68/50/1112346850.db2.gz PEIUOKGVHXPHNL-UHFFFAOYSA-N 2 1 345.531 2.443 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001499576581 1112382511 /nfs/dbraw/zinc/38/25/11/1112382511.db2.gz LRAOGSMYKFFGIT-LJQANCHMSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001500057853 1112596463 /nfs/dbraw/zinc/59/64/63/1112596463.db2.gz OPTPDPVPSQHIDJ-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001500406625 1112808749 /nfs/dbraw/zinc/80/87/49/1112808749.db2.gz QFRRKOLHEZHLFN-UYAOXDASSA-N 2 1 327.472 2.141 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001507298911 1115180369 /nfs/dbraw/zinc/18/03/69/1115180369.db2.gz RZVLBDGWAGSQQG-KBXCAEBGSA-N 2 1 346.450 2.117 10 30 EEEEMP C=CC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001507390018 1115247240 /nfs/dbraw/zinc/24/72/40/1115247240.db2.gz QZZFUOQFKRAIII-NZSAHSFTSA-N 2 1 329.488 2.220 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001507456157 1115280525 /nfs/dbraw/zinc/28/05/25/1115280525.db2.gz GXMAODMZEPXLLG-ZIAGYGMSSA-N 2 1 335.414 2.131 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001568061013 1124266236 /nfs/dbraw/zinc/26/62/36/1124266236.db2.gz YIELKOHWYVIYTJ-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001568061013 1124266243 /nfs/dbraw/zinc/26/62/43/1124266243.db2.gz YIELKOHWYVIYTJ-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001568118515 1124312606 /nfs/dbraw/zinc/31/26/06/1124312606.db2.gz WCGUZNAXMDQTLF-IBGZPJMESA-N 2 1 327.472 2.289 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539735 1124600797 /nfs/dbraw/zinc/60/07/97/1124600797.db2.gz FMRPRCKUAFOWDG-VQTJNVASSA-N 2 1 341.499 2.254 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245975861 160259568 /nfs/dbraw/zinc/25/95/68/160259568.db2.gz XBAJXWHUUPRHHI-MOPGFXCFSA-N 2 1 349.438 2.333 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245975861 160259570 /nfs/dbraw/zinc/25/95/70/160259570.db2.gz XBAJXWHUUPRHHI-MOPGFXCFSA-N 2 1 349.438 2.333 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC[N@H+]1C ZINC000329456878 465339740 /nfs/dbraw/zinc/33/97/40/465339740.db2.gz QGBWZMWPSSIQSQ-ZBFHGGJFSA-N 2 1 333.480 2.071 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000329456878 465339753 /nfs/dbraw/zinc/33/97/53/465339753.db2.gz QGBWZMWPSSIQSQ-ZBFHGGJFSA-N 2 1 333.480 2.071 10 30 EEEEMP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000590315040 468233414 /nfs/dbraw/zinc/23/34/14/468233414.db2.gz HMTYITXRHMOMDC-MSOLQXFVSA-N 2 1 346.519 2.476 10 30 EEEEMP C(#CC[N@@H+]1CCOCC12CCCC2)CN1CCOCC12CCCC2 ZINC000556499165 468530761 /nfs/dbraw/zinc/53/07/61/468530761.db2.gz AURXBMDEORABKQ-UHFFFAOYSA-N 2 1 332.488 2.280 10 30 EEEEMP C(#CC[N@H+]1CCOCC12CCCC2)CN1CCOCC12CCCC2 ZINC000556499165 468530764 /nfs/dbraw/zinc/53/07/64/468530764.db2.gz AURXBMDEORABKQ-UHFFFAOYSA-N 2 1 332.488 2.280 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437890 468586315 /nfs/dbraw/zinc/58/63/15/468586315.db2.gz QAQOPVMWUNISHA-BPQIPLTHSA-N 2 1 328.460 2.034 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000594439389 468587980 /nfs/dbraw/zinc/58/79/80/468587980.db2.gz VHRNLWZLZSXSEK-ROUUACIJSA-N 2 1 328.460 2.178 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662670286 472197077 /nfs/dbraw/zinc/19/70/77/472197077.db2.gz JMHGNDIDXNGUPX-FQEVSTJZSA-N 2 1 327.472 2.072 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697824 472213248 /nfs/dbraw/zinc/21/32/48/472213248.db2.gz CJYOHCHLUQWBSS-OXQOHEQNSA-N 2 1 327.472 2.248 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738688 472229044 /nfs/dbraw/zinc/22/90/44/472229044.db2.gz YPVGALISAWRUDG-UYAOXDASSA-N 2 1 327.472 2.466 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261723054 676390273 /nfs/dbraw/zinc/39/02/73/676390273.db2.gz XASGPGLAWCRJEB-AKONKWBKSA-N 2 1 346.519 2.124 10 30 EEEEMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001266381893 1176452318 /nfs/dbraw/zinc/45/23/18/1176452318.db2.gz BDNFCPUYOUSSEA-IBGZPJMESA-N 2 1 339.483 2.112 10 30 EEEEMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001266381893 1176452321 /nfs/dbraw/zinc/45/23/21/1176452321.db2.gz BDNFCPUYOUSSEA-IBGZPJMESA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001772517160 1176585113 /nfs/dbraw/zinc/58/51/13/1176585113.db2.gz HPGOHRCDTUISOT-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001772517160 1176585124 /nfs/dbraw/zinc/58/51/24/1176585124.db2.gz HPGOHRCDTUISOT-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCCC)CC1 ZINC001266495576 1176638800 /nfs/dbraw/zinc/63/88/00/1176638800.db2.gz PGBMBQCKXWFEOT-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663812 1177084395 /nfs/dbraw/zinc/08/43/95/1177084395.db2.gz RLSHTCFIUAKRTP-QZTJIDSGSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663812 1177084400 /nfs/dbraw/zinc/08/44/00/1177084400.db2.gz RLSHTCFIUAKRTP-QZTJIDSGSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891846 1177729702 /nfs/dbraw/zinc/72/97/02/1177729702.db2.gz RQCULUFKPZULOY-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001267042184 1178137724 /nfs/dbraw/zinc/13/77/24/1178137724.db2.gz XCSRSCBANMWHRY-ZWKOTPCHSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001267186303 1178452466 /nfs/dbraw/zinc/45/24/66/1178452466.db2.gz ZLQNQAJVEUBCPF-HOTGVXAUSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267196932 1178475640 /nfs/dbraw/zinc/47/56/40/1178475640.db2.gz ODBWNRDFMNCGAT-PKOBYXMFSA-N 2 1 333.520 2.348 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001267302297 1178716671 /nfs/dbraw/zinc/71/66/71/1178716671.db2.gz OOEYMXHOCTXBDI-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001267302297 1178716673 /nfs/dbraw/zinc/71/66/73/1178716673.db2.gz OOEYMXHOCTXBDI-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001480951704 1179123793 /nfs/dbraw/zinc/12/37/93/1179123793.db2.gz KILMDIPYIVCSIM-QGZVFWFLSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001480951704 1179123795 /nfs/dbraw/zinc/12/37/95/1179123795.db2.gz KILMDIPYIVCSIM-QGZVFWFLSA-N 2 1 348.516 2.288 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481121113 1179807057 /nfs/dbraw/zinc/80/70/57/1179807057.db2.gz TXJOVCACQFTNDR-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481121113 1179807066 /nfs/dbraw/zinc/80/70/66/1179807066.db2.gz TXJOVCACQFTNDR-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481121113 1179807075 /nfs/dbraw/zinc/80/70/75/1179807075.db2.gz TXJOVCACQFTNDR-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C[N@H+](CC(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001481172536 1179986936 /nfs/dbraw/zinc/98/69/36/1179986936.db2.gz FMHYRHHRRSFOGX-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@@H+](CC(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001481172536 1179986942 /nfs/dbraw/zinc/98/69/42/1179986942.db2.gz FMHYRHHRRSFOGX-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)NCC[N@H+](CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001481172536 1179986947 /nfs/dbraw/zinc/98/69/47/1179986947.db2.gz FMHYRHHRRSFOGX-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)NCC[N@@H+](CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001481172536 1179986953 /nfs/dbraw/zinc/98/69/53/1179986953.db2.gz FMHYRHHRRSFOGX-UHFFFAOYSA-N 2 1 339.483 2.103 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001481334896 1181059967 /nfs/dbraw/zinc/05/99/67/1181059967.db2.gz BECLEYQNZYVSKU-IEBWSBKVSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001481520006 1181631873 /nfs/dbraw/zinc/63/18/73/1181631873.db2.gz YZPQQXYHOFWNHP-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001481520006 1181631877 /nfs/dbraw/zinc/63/18/77/1181631877.db2.gz YZPQQXYHOFWNHP-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001481520006 1181631881 /nfs/dbraw/zinc/63/18/81/1181631881.db2.gz YZPQQXYHOFWNHP-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001481536949 1181673485 /nfs/dbraw/zinc/67/34/85/1181673485.db2.gz XVBZUIBWVOMKRQ-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481536949 1181673491 /nfs/dbraw/zinc/67/34/91/1181673491.db2.gz XVBZUIBWVOMKRQ-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481536949 1181673495 /nfs/dbraw/zinc/67/34/95/1181673495.db2.gz XVBZUIBWVOMKRQ-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC001481820017 1182748669 /nfs/dbraw/zinc/74/86/69/1182748669.db2.gz IIGDHRBQAXGCRB-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC001481820017 1182748677 /nfs/dbraw/zinc/74/86/77/1182748677.db2.gz IIGDHRBQAXGCRB-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268962717 1183860797 /nfs/dbraw/zinc/86/07/97/1183860797.db2.gz WMNBPGCRRSLGLN-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001482199518 1183877835 /nfs/dbraw/zinc/87/78/35/1183877835.db2.gz GKZXLEXCQRBENJ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367933 1185528343 /nfs/dbraw/zinc/52/83/43/1185528343.db2.gz CINWNEQIXYJSGS-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001482430909 1185693935 /nfs/dbraw/zinc/69/39/35/1185693935.db2.gz AALXMJQPNABTNA-NVXWUHKLSA-N 2 1 346.475 2.287 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001272033348 1187098638 /nfs/dbraw/zinc/09/86/38/1187098638.db2.gz LTALMMGAPBEMMU-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001272033348 1187098642 /nfs/dbraw/zinc/09/86/42/1187098642.db2.gz LTALMMGAPBEMMU-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272033348 1187098646 /nfs/dbraw/zinc/09/86/46/1187098646.db2.gz LTALMMGAPBEMMU-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272033348 1187098648 /nfs/dbraw/zinc/09/86/48/1187098648.db2.gz LTALMMGAPBEMMU-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001484098705 1191210257 /nfs/dbraw/zinc/21/02/57/1191210257.db2.gz YOLDLXYOJRFNGD-HKUYNNGSSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001484098705 1191210259 /nfs/dbraw/zinc/21/02/59/1191210259.db2.gz YOLDLXYOJRFNGD-HKUYNNGSSA-N 2 1 345.512 2.174 10 30 EEEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001484827558 1191536557 /nfs/dbraw/zinc/53/65/57/1191536557.db2.gz PNBIYNYCTQTZKC-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001484827558 1191536558 /nfs/dbraw/zinc/53/65/58/1191536558.db2.gz PNBIYNYCTQTZKC-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485159454 1191673914 /nfs/dbraw/zinc/67/39/14/1191673914.db2.gz XLKYOWQUTDIOJM-CVEARBPZSA-N 2 1 345.462 2.144 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785680 1197902281 /nfs/dbraw/zinc/90/22/81/1197902281.db2.gz LWYOIVNYXNWMKJ-HNSVSWJLSA-N 2 1 336.480 2.171 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785680 1197902287 /nfs/dbraw/zinc/90/22/87/1197902287.db2.gz LWYOIVNYXNWMKJ-HNSVSWJLSA-N 2 1 336.480 2.171 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001410927670 1198592612 /nfs/dbraw/zinc/59/26/12/1198592612.db2.gz UZGLHRDMQIDVOD-OWCLPIDISA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000876754371 1199758057 /nfs/dbraw/zinc/75/80/57/1199758057.db2.gz CBJJIFRZPKIXQO-XJKSGUPXSA-N 2 1 337.851 2.488 10 30 EEEEMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001275062497 1205246773 /nfs/dbraw/zinc/24/67/73/1205246773.db2.gz ATBADDXJCNITPG-HSALFYBXSA-N 2 1 339.483 2.254 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001275858775 1205568495 /nfs/dbraw/zinc/56/84/95/1205568495.db2.gz PFYRUPUNYMNDSI-APWZRJJASA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001275858775 1205568496 /nfs/dbraw/zinc/56/84/96/1205568496.db2.gz PFYRUPUNYMNDSI-APWZRJJASA-N 2 1 347.478 2.200 10 30 EEEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001276137721 1205795064 /nfs/dbraw/zinc/79/50/64/1205795064.db2.gz GLRPDOOFCUQXKQ-PKOBYXMFSA-N 2 1 344.503 2.240 10 30 EEEEMP [NH2+]=C(NCCc1cccs1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000303872187 1213916470 /nfs/dbraw/zinc/91/64/70/1213916470.db2.gz BWFDHUIGPPUSEE-UHFFFAOYSA-N 2 1 328.485 2.253 10 30 EEEEMP [NH2+]=C(NCCc1cccs1)NCC[N@H+]1CCc2ccccc2C1 ZINC000303872187 1213916476 /nfs/dbraw/zinc/91/64/76/1213916476.db2.gz BWFDHUIGPPUSEE-UHFFFAOYSA-N 2 1 328.485 2.253 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000900139013 1234042994 /nfs/dbraw/zinc/04/29/94/1234042994.db2.gz VMATUHOOPUPAGM-UHFFFAOYSA-N 2 1 329.488 2.447 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001277362144 1302654940 /nfs/dbraw/zinc/65/49/40/1302654940.db2.gz BFEGTWSFJGEADG-KRWDZBQOSA-N 2 1 347.478 2.392 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001264403487 1322691602 /nfs/dbraw/zinc/69/16/02/1322691602.db2.gz QFGUKMFHVDHBDF-IYBDPMFKSA-N 2 1 346.475 2.335 10 30 EEEEMP C[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264996848 1322844843 /nfs/dbraw/zinc/84/48/43/1322844843.db2.gz RBDYKSBCNFZSNH-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001264996848 1322844847 /nfs/dbraw/zinc/84/48/47/1322844847.db2.gz RBDYKSBCNFZSNH-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001264996848 1322844851 /nfs/dbraw/zinc/84/48/51/1322844851.db2.gz RBDYKSBCNFZSNH-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1C#N)C1CC1 ZINC001265156443 1322954559 /nfs/dbraw/zinc/95/45/59/1322954559.db2.gz ZNMKZMVINQBVGO-IBGZPJMESA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001265156443 1322954565 /nfs/dbraw/zinc/95/45/65/1322954565.db2.gz ZNMKZMVINQBVGO-IBGZPJMESA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001265156443 1322954569 /nfs/dbraw/zinc/95/45/69/1322954569.db2.gz ZNMKZMVINQBVGO-IBGZPJMESA-N 2 1 340.471 2.123 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266225029 1323798159 /nfs/dbraw/zinc/79/81/59/1323798159.db2.gz ICQLCOZRZBPJDQ-INIZCTEOSA-N 2 1 342.443 2.040 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001279395048 1323895688 /nfs/dbraw/zinc/89/56/88/1323895688.db2.gz DODPIWOVJTYJON-OKZBNKHCSA-N 2 1 342.487 2.110 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001279395048 1323895693 /nfs/dbraw/zinc/89/56/93/1323895693.db2.gz DODPIWOVJTYJON-OKZBNKHCSA-N 2 1 342.487 2.110 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598316 1323952913 /nfs/dbraw/zinc/95/29/13/1323952913.db2.gz VTNDVYHZUVZCCK-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001280198151 1324110415 /nfs/dbraw/zinc/11/04/15/1324110415.db2.gz NXEGNRBTSXUSOS-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001281670086 1325386337 /nfs/dbraw/zinc/38/63/37/1325386337.db2.gz LUCCHTJYGHLWHQ-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001282294769 1325680511 /nfs/dbraw/zinc/68/05/11/1325680511.db2.gz FXQSBSMLNHGTJV-KRWDZBQOSA-N 2 1 347.507 2.440 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001282294769 1325680512 /nfs/dbraw/zinc/68/05/12/1325680512.db2.gz FXQSBSMLNHGTJV-KRWDZBQOSA-N 2 1 347.507 2.440 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001282957978 1325853476 /nfs/dbraw/zinc/85/34/76/1325853476.db2.gz JWJQEPJGYQMVHS-FHWLQOOXSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283213535 1325957569 /nfs/dbraw/zinc/95/75/69/1325957569.db2.gz DVVGHVKORVWUQE-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001492021790 1330410559 /nfs/dbraw/zinc/41/05/59/1330410559.db2.gz KGLAQWPTUZNYCR-VQIMIIECSA-N 2 1 342.487 2.415 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC/C=C/CC)C2)CC1 ZINC001317863593 1332435237 /nfs/dbraw/zinc/43/52/37/1332435237.db2.gz OCVINOMLHHDADR-OVKVCFKUSA-N 2 1 345.531 2.468 10 30 EEEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001318712727 1332582294 /nfs/dbraw/zinc/58/22/94/1332582294.db2.gz IUWQPVPTABAUCR-MSOLQXFVSA-N 2 1 325.472 2.259 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318906583 1332621082 /nfs/dbraw/zinc/62/10/82/1332621082.db2.gz CDDVGPDOZOKNJP-INIZCTEOSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2 ZINC001319142393 1332655948 /nfs/dbraw/zinc/65/59/48/1332655948.db2.gz OYWHFLFGOIKWQQ-QGZVFWFLSA-N 2 1 337.483 2.004 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320420123 1332879196 /nfs/dbraw/zinc/87/91/96/1332879196.db2.gz FFSKUZIXAOJQOD-JJRVBVJISA-N 2 1 346.450 2.022 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322530556 1333277519 /nfs/dbraw/zinc/27/75/19/1333277519.db2.gz IDJHWVHFRFOENA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001325632134 1333928798 /nfs/dbraw/zinc/92/87/98/1333928798.db2.gz OGVXCITYPVLPNY-RDGPPVDQSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001325632134 1333928802 /nfs/dbraw/zinc/92/88/02/1333928802.db2.gz OGVXCITYPVLPNY-RDGPPVDQSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001325644376 1333931590 /nfs/dbraw/zinc/93/15/90/1333931590.db2.gz VCWQYBLENOQVSA-RDGPPVDQSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001326457951 1334097500 /nfs/dbraw/zinc/09/75/00/1334097500.db2.gz DVRKOJDCLBTMRB-UHFFFAOYSA-N 2 1 341.499 2.490 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)CO2 ZINC001327410425 1334287121 /nfs/dbraw/zinc/28/71/21/1334287121.db2.gz AEVGIFUHIIHWAL-ZWKOTPCHSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[N@@H+](CC[C@H]1CCOC1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001330719880 1334890815 /nfs/dbraw/zinc/89/08/15/1334890815.db2.gz FXSQKVFLUKBWCQ-OALUTQOASA-N 2 1 334.504 2.239 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001330896717 1334923085 /nfs/dbraw/zinc/92/30/85/1334923085.db2.gz YQBBBNHXSPTEHN-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Br)CN(C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001479816690 1337399411 /nfs/dbraw/zinc/39/94/11/1337399411.db2.gz XBOZOFHVYKDYTJ-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746536 1342622741 /nfs/dbraw/zinc/62/27/41/1342622741.db2.gz KJOZMACBZZJIKV-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746536 1342622744 /nfs/dbraw/zinc/62/27/44/1342622744.db2.gz KJOZMACBZZJIKV-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001566991887 1342674814 /nfs/dbraw/zinc/67/48/14/1342674814.db2.gz LANCSZQGAPAKCM-CTWPCTMYSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621793 1342910499 /nfs/dbraw/zinc/91/04/99/1342910499.db2.gz ITMBNCDMXMHRQU-QUCCMNQESA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001569822326 1342952349 /nfs/dbraw/zinc/95/23/49/1342952349.db2.gz YLTZBYZJHGEETG-HZPDHXFCSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001676238670 1357124891 /nfs/dbraw/zinc/12/48/91/1357124891.db2.gz IWCHYAMAWJUTQX-LJQANCHMSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001676261810 1357127256 /nfs/dbraw/zinc/12/72/56/1357127256.db2.gz DDXAXYBIXBAXOH-SFHVURJKSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612793 1357372658 /nfs/dbraw/zinc/37/26/58/1357372658.db2.gz PYOVKSBOGVZIHI-GOSISDBHSA-N 2 1 349.519 2.202 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001629151466 1352548828 /nfs/dbraw/zinc/54/88/28/1352548828.db2.gz JQLCOGNOJJKNGQ-OAHLLOKOSA-N 2 1 331.460 2.464 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662675435 1354824364 /nfs/dbraw/zinc/82/43/64/1354824364.db2.gz LXDFMISBOMTBOZ-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930539 1356242621 /nfs/dbraw/zinc/24/26/21/1356242621.db2.gz OJLLFVBKZLFVEP-ROUUACIJSA-N 2 1 335.536 2.450 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001672796889 1356586371 /nfs/dbraw/zinc/58/63/71/1356586371.db2.gz YCQSXQZVBJYAPC-MOPGFXCFSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001672925061 1356616517 /nfs/dbraw/zinc/61/65/17/1356616517.db2.gz OVMLOLZAWSTZKL-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001672925061 1356616521 /nfs/dbraw/zinc/61/65/21/1356616521.db2.gz OVMLOLZAWSTZKL-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001672925061 1356616527 /nfs/dbraw/zinc/61/65/27/1356616527.db2.gz OVMLOLZAWSTZKL-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001673079719 1356644616 /nfs/dbraw/zinc/64/46/16/1356644616.db2.gz LSXIUYOOMBUVCJ-UHFFFAOYSA-N 2 1 339.483 2.026 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001674271737 1356810293 /nfs/dbraw/zinc/81/02/93/1356810293.db2.gz MGXNEXHBTFAVSU-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001674271737 1356810296 /nfs/dbraw/zinc/81/02/96/1356810296.db2.gz MGXNEXHBTFAVSU-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001674271737 1356810298 /nfs/dbraw/zinc/81/02/98/1356810298.db2.gz MGXNEXHBTFAVSU-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001674804438 1356899016 /nfs/dbraw/zinc/89/90/16/1356899016.db2.gz HFOGBECCIOIERL-UHFFFAOYSA-N 2 1 330.476 2.389 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797019 1405489612 /nfs/dbraw/zinc/48/96/12/1405489612.db2.gz SASHRBWYBZJILB-QFBILLFUSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CCOc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000820983296 786547637 /nfs/dbraw/zinc/54/76/37/786547637.db2.gz PDUFBTSGKNREKY-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP C#CCOc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000820983296 786547642 /nfs/dbraw/zinc/54/76/42/786547642.db2.gz PDUFBTSGKNREKY-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP C#CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000923404179 789505683 /nfs/dbraw/zinc/50/56/83/789505683.db2.gz WQMUSHZHXCZOPF-LJQANCHMSA-N 2 1 346.519 2.132 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000793767965 810504079 /nfs/dbraw/zinc/50/40/79/810504079.db2.gz PJPXGAJEOZVEMH-IBGZPJMESA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000793767965 810504087 /nfs/dbraw/zinc/50/40/87/810504087.db2.gz PJPXGAJEOZVEMH-IBGZPJMESA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000793767965 810504092 /nfs/dbraw/zinc/50/40/92/810504092.db2.gz PJPXGAJEOZVEMH-IBGZPJMESA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000793767965 810504098 /nfs/dbraw/zinc/50/40/98/810504098.db2.gz PJPXGAJEOZVEMH-IBGZPJMESA-N 2 1 336.443 2.110 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001445759342 1091604985 /nfs/dbraw/zinc/60/49/85/1091604985.db2.gz VYYGRISGSXYZKZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001445759342 1091604990 /nfs/dbraw/zinc/60/49/90/1091604990.db2.gz VYYGRISGSXYZKZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445759342 1091604998 /nfs/dbraw/zinc/60/49/98/1091604998.db2.gz VYYGRISGSXYZKZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445759342 1091605002 /nfs/dbraw/zinc/60/50/02/1091605002.db2.gz VYYGRISGSXYZKZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001440620162 1093888063 /nfs/dbraw/zinc/88/80/63/1093888063.db2.gz KYKYTIPJOUGVGV-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001444331062 1098895681 /nfs/dbraw/zinc/89/56/81/1098895681.db2.gz XWKYXXHZEHYGKI-RDTXWAMCSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001480333210 1100095412 /nfs/dbraw/zinc/09/54/12/1100095412.db2.gz WVBWSDTUKMOASL-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001480333210 1100095416 /nfs/dbraw/zinc/09/54/16/1100095416.db2.gz WVBWSDTUKMOASL-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480368546 1100144479 /nfs/dbraw/zinc/14/44/79/1100144479.db2.gz ZXOBRBGAULGOAI-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001496708329 1101310881 /nfs/dbraw/zinc/31/08/81/1101310881.db2.gz YYGJUPZGOOWMPB-DLBZAZTESA-N 2 1 348.516 2.240 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001496708329 1101310899 /nfs/dbraw/zinc/31/08/99/1101310899.db2.gz YYGJUPZGOOWMPB-DLBZAZTESA-N 2 1 348.516 2.240 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001496708329 1101310913 /nfs/dbraw/zinc/31/09/13/1101310913.db2.gz YYGJUPZGOOWMPB-DLBZAZTESA-N 2 1 348.516 2.240 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001496708329 1101310924 /nfs/dbraw/zinc/31/09/24/1101310924.db2.gz YYGJUPZGOOWMPB-DLBZAZTESA-N 2 1 348.516 2.240 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495858160 1101683028 /nfs/dbraw/zinc/68/30/28/1101683028.db2.gz ZZLRIDOXIPDGMT-QGZVFWFLSA-N 2 1 342.443 2.040 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015798 /nfs/dbraw/zinc/01/57/98/1103015798.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015813 /nfs/dbraw/zinc/01/58/13/1103015813.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015835 /nfs/dbraw/zinc/01/58/35/1103015835.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001493888160 1103046717 /nfs/dbraw/zinc/04/67/17/1103046717.db2.gz DDPCPZIHPVTCEC-RBUKOAKNSA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001493888160 1103046731 /nfs/dbraw/zinc/04/67/31/1103046731.db2.gz DDPCPZIHPVTCEC-RBUKOAKNSA-N 2 1 327.472 2.330 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001447777442 1103302106 /nfs/dbraw/zinc/30/21/06/1103302106.db2.gz VZSQJWCGGZKCPQ-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498048404 1106835169 /nfs/dbraw/zinc/83/51/69/1106835169.db2.gz GBHPMOKOQPYAGA-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001498393251 1107445366 /nfs/dbraw/zinc/44/53/66/1107445366.db2.gz HGMSKTSFTHMYHD-OAHLLOKOSA-N 2 1 335.879 2.080 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001498393251 1107445369 /nfs/dbraw/zinc/44/53/69/1107445369.db2.gz HGMSKTSFTHMYHD-OAHLLOKOSA-N 2 1 335.879 2.080 10 30 EEEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493240731 1107753658 /nfs/dbraw/zinc/75/36/58/1107753658.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240731 1107753675 /nfs/dbraw/zinc/75/36/75/1107753675.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240731 1107753688 /nfs/dbraw/zinc/75/36/88/1107753688.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001499330672 1112236901 /nfs/dbraw/zinc/23/69/01/1112236901.db2.gz URHIOEBONYAEBC-GDBMZVCRSA-N 2 1 330.476 2.347 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001500406624 1112809212 /nfs/dbraw/zinc/80/92/12/1112809212.db2.gz QFRRKOLHEZHLFN-QUCCMNQESA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523122 1112915268 /nfs/dbraw/zinc/91/52/68/1112915268.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523122 1112915274 /nfs/dbraw/zinc/91/52/74/1112915274.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523122 1112915279 /nfs/dbraw/zinc/91/52/79/1112915279.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001508207205 1115444878 /nfs/dbraw/zinc/44/48/78/1115444878.db2.gz QBFOHWPQVWDBSU-INIZCTEOSA-N 2 1 328.460 2.168 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001508207205 1115444879 /nfs/dbraw/zinc/44/48/79/1115444879.db2.gz QBFOHWPQVWDBSU-INIZCTEOSA-N 2 1 328.460 2.168 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001568113472 1124309010 /nfs/dbraw/zinc/30/90/10/1124309010.db2.gz KGMVAMXZSMCBJO-MXVIHJGJSA-N 2 1 341.499 2.397 10 30 EEEEMP C=CCCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000076734707 462904389 /nfs/dbraw/zinc/90/43/89/462904389.db2.gz ZGPBLDPVCLTAJY-UHFFFAOYSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CCCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000076734707 462904396 /nfs/dbraw/zinc/90/43/96/462904396.db2.gz ZGPBLDPVCLTAJY-UHFFFAOYSA-N 2 1 337.508 2.036 10 30 EEEEMP COC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110455 467325992 /nfs/dbraw/zinc/32/59/92/467325992.db2.gz ZDGHQABPVXFFAR-PMACEKPBSA-N 2 1 336.520 2.487 10 30 EEEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001272700462 1191863552 /nfs/dbraw/zinc/86/35/52/1191863552.db2.gz JQBZQPUSQRTKKZ-DLBZAZTESA-N 2 1 327.472 2.319 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001485715389 1191906593 /nfs/dbraw/zinc/90/65/93/1191906593.db2.gz YKSNDLITNWAQFW-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001266362280 1176410786 /nfs/dbraw/zinc/41/07/86/1176410786.db2.gz BMYQOJZMUBLRJW-INIZCTEOSA-N 2 1 345.462 2.280 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001266362280 1176410790 /nfs/dbraw/zinc/41/07/90/1176410790.db2.gz BMYQOJZMUBLRJW-INIZCTEOSA-N 2 1 345.462 2.280 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)sc1C ZINC001691023909 1176508220 /nfs/dbraw/zinc/50/82/20/1176508220.db2.gz WKZAVQZAFFMVMR-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)sc1C ZINC001691023909 1176508227 /nfs/dbraw/zinc/50/82/27/1176508227.db2.gz WKZAVQZAFFMVMR-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)sc1C ZINC001691023909 1176508233 /nfs/dbraw/zinc/50/82/33/1176508233.db2.gz WKZAVQZAFFMVMR-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)sc1C ZINC001691023909 1176508239 /nfs/dbraw/zinc/50/82/39/1176508239.db2.gz WKZAVQZAFFMVMR-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266567656 1176859265 /nfs/dbraw/zinc/85/92/65/1176859265.db2.gz MYIWAJOXFBEDGZ-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664140 1177087051 /nfs/dbraw/zinc/08/70/51/1177087051.db2.gz VQNVQSRWJZXTOW-RTBURBONSA-N 2 1 342.487 2.308 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664140 1177087057 /nfs/dbraw/zinc/08/70/57/1177087057.db2.gz VQNVQSRWJZXTOW-RTBURBONSA-N 2 1 342.487 2.308 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267298814 1178708779 /nfs/dbraw/zinc/70/87/79/1178708779.db2.gz SNMCAHWALYRDTD-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811503 1182739395 /nfs/dbraw/zinc/73/93/95/1182739395.db2.gz TUMNFFURNIRUBI-PMACEKPBSA-N 2 1 341.499 2.395 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268962716 1183860472 /nfs/dbraw/zinc/86/04/72/1183860472.db2.gz WMNBPGCRRSLGLN-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCOCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278849 1184130299 /nfs/dbraw/zinc/13/02/99/1184130299.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001269278849 1184130304 /nfs/dbraw/zinc/13/03/04/1184130304.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001269278849 1184130311 /nfs/dbraw/zinc/13/03/11/1184130311.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278849 1184130318 /nfs/dbraw/zinc/13/03/18/1184130318.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278849 1184130325 /nfs/dbraw/zinc/13/03/25/1184130325.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270325899 1185018924 /nfs/dbraw/zinc/01/89/24/1185018924.db2.gz NBEBUGNYLQEGHO-INIZCTEOSA-N 2 1 330.476 2.164 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270780844 1185385686 /nfs/dbraw/zinc/38/56/86/1185385686.db2.gz XDUXDZGWKDJNRR-LPHOPBHVSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001270994124 1185794598 /nfs/dbraw/zinc/79/45/98/1185794598.db2.gz AZCCSPRKMSXYPZ-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001270994124 1185794601 /nfs/dbraw/zinc/79/46/01/1185794601.db2.gz AZCCSPRKMSXYPZ-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420318 1190466140 /nfs/dbraw/zinc/46/61/40/1190466140.db2.gz HWJHRANXJICPFT-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420318 1190466143 /nfs/dbraw/zinc/46/61/43/1190466143.db2.gz HWJHRANXJICPFT-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001483420318 1190466146 /nfs/dbraw/zinc/46/61/46/1190466146.db2.gz HWJHRANXJICPFT-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001483420318 1190466147 /nfs/dbraw/zinc/46/61/47/1190466147.db2.gz HWJHRANXJICPFT-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001483566583 1190555749 /nfs/dbraw/zinc/55/57/49/1190555749.db2.gz AXRTZKYRJWKXIL-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001483566583 1190555753 /nfs/dbraw/zinc/55/57/53/1190555753.db2.gz AXRTZKYRJWKXIL-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914823 1191114966 /nfs/dbraw/zinc/11/49/66/1191114966.db2.gz RMTCKNHEJVQHDS-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185881 /nfs/dbraw/zinc/18/58/81/1191185881.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001484167191 1191254697 /nfs/dbraw/zinc/25/46/97/1191254697.db2.gz PYVWEUPUYNXZOP-HXUWFJFHSA-N 2 1 342.487 2.228 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001484715399 1191480296 /nfs/dbraw/zinc/48/02/96/1191480296.db2.gz OUEDKMOKIAEMEA-GJZGRUSLSA-N 2 1 333.879 2.390 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001484992633 1191609346 /nfs/dbraw/zinc/60/93/46/1191609346.db2.gz KGLAQWPTUZNYCR-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001486211040 1193751589 /nfs/dbraw/zinc/75/15/89/1193751589.db2.gz AGXPRBWMXSUFFX-CVEARBPZSA-N 2 1 346.475 2.335 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001486234965 1193787231 /nfs/dbraw/zinc/78/72/31/1193787231.db2.gz PFZOCKDTVROQJZ-QZTJIDSGSA-N 2 1 331.504 2.243 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273019247 1194326377 /nfs/dbraw/zinc/32/63/77/1194326377.db2.gz TYHBXOBYEMDAHR-GJZGRUSLSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC/C=C/CC)CC1 ZINC001273428117 1198809703 /nfs/dbraw/zinc/80/97/03/1198809703.db2.gz MVRPZSKBUXOBPT-WLMAVBAVSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC/C=C/CC)CC1 ZINC001273428117 1198809705 /nfs/dbraw/zinc/80/97/05/1198809705.db2.gz MVRPZSKBUXOBPT-WLMAVBAVSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C/CC)CC1 ZINC001273428117 1198809707 /nfs/dbraw/zinc/80/97/07/1198809707.db2.gz MVRPZSKBUXOBPT-WLMAVBAVSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C/CC)CC1 ZINC001273428117 1198809710 /nfs/dbraw/zinc/80/97/10/1198809710.db2.gz MVRPZSKBUXOBPT-WLMAVBAVSA-N 2 1 331.504 2.411 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C(C)C ZINC000875087454 1199133400 /nfs/dbraw/zinc/13/34/00/1199133400.db2.gz MMLIEPPNKDPSCH-GBESFXJTSA-N 2 1 348.535 2.421 10 30 EEEEMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866313067 1201490513 /nfs/dbraw/zinc/49/05/13/1201490513.db2.gz VGSUFFBJVXPNQL-AWEZNQCLSA-N 2 1 340.427 2.450 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275071434 1205248838 /nfs/dbraw/zinc/24/88/38/1205248838.db2.gz BQIKPYMRWNXWNW-SMMRIJLZSA-N 2 1 339.483 2.112 10 30 EEEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726697 1241733017 /nfs/dbraw/zinc/73/30/17/1241733017.db2.gz NEOXBPMHCOOYHC-ROUUACIJSA-N 2 1 331.416 2.351 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001691745160 1257132946 /nfs/dbraw/zinc/13/29/46/1257132946.db2.gz SCKRIFVIEITSGK-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001691745160 1257132951 /nfs/dbraw/zinc/13/29/51/1257132951.db2.gz SCKRIFVIEITSGK-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001691745160 1257132956 /nfs/dbraw/zinc/13/29/56/1257132956.db2.gz SCKRIFVIEITSGK-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001491172771 1258743013 /nfs/dbraw/zinc/74/30/13/1258743013.db2.gz JVMMDTUEINXOEK-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001273823957 1286464295 /nfs/dbraw/zinc/46/42/95/1286464295.db2.gz FWVQTKXNKCHAFE-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146140 1290568680 /nfs/dbraw/zinc/56/86/80/1290568680.db2.gz CZEQYPMXSHWVLG-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001490761356 1291690931 /nfs/dbraw/zinc/69/09/31/1291690931.db2.gz BABVQGYXVSQNAW-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761356 1291690940 /nfs/dbraw/zinc/69/09/40/1291690940.db2.gz BABVQGYXVSQNAW-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761356 1291690948 /nfs/dbraw/zinc/69/09/48/1291690948.db2.gz BABVQGYXVSQNAW-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244934 1295778297 /nfs/dbraw/zinc/77/82/97/1295778297.db2.gz MZRRQBQYEUCEKO-OALUTQOASA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244934 1295778300 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UNTUJZIFWTZACY-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266232205 1323812442 /nfs/dbraw/zinc/81/24/42/1323812442.db2.gz UNTUJZIFWTZACY-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266232205 1323812448 /nfs/dbraw/zinc/81/24/48/1323812448.db2.gz UNTUJZIFWTZACY-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001279710390 1323984056 /nfs/dbraw/zinc/98/40/56/1323984056.db2.gz RBEACDNYQSIFBT-SFHVURJKSA-N 2 1 345.462 2.429 10 30 EEEEMP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCc3ccccc3)C2)CC1 ZINC001280391784 1324196049 /nfs/dbraw/zinc/19/60/49/1324196049.db2.gz FJGPDJFLMNAQNN-UHFFFAOYSA-N 2 1 341.499 2.271 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630381 1326171084 /nfs/dbraw/zinc/17/10/84/1326171084.db2.gz CTNFIMCKYPTPSZ-QFBILLFUSA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001284148080 1326435131 /nfs/dbraw/zinc/43/51/31/1326435131.db2.gz DWQCCFVCOKAYSY-RTBURBONSA-N 2 1 329.488 2.364 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC001284738032 1326690097 /nfs/dbraw/zinc/69/00/97/1326690097.db2.gz QUYIMXKTGPBEJG-UONOGXRCSA-N 2 1 344.381 2.137 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C/CCC)C1 ZINC001491811475 1330278677 /nfs/dbraw/zinc/27/86/77/1330278677.db2.gz FDFYCPBJDXJXEF-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C/CCC)C1 ZINC001491811475 1330278678 /nfs/dbraw/zinc/27/86/78/1330278678.db2.gz FDFYCPBJDXJXEF-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001492292506 1331171468 /nfs/dbraw/zinc/17/14/68/1331171468.db2.gz HMTWDLOVIOTKPL-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001492292506 1331171473 /nfs/dbraw/zinc/17/14/73/1331171473.db2.gz HMTWDLOVIOTKPL-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001492292506 1331171476 /nfs/dbraw/zinc/17/14/76/1331171476.db2.gz HMTWDLOVIOTKPL-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001492292506 1331171478 /nfs/dbraw/zinc/17/14/78/1331171478.db2.gz HMTWDLOVIOTKPL-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001317018059 1332046278 /nfs/dbraw/zinc/04/62/78/1332046278.db2.gz YANSIOAEVGCBJZ-ROUUACIJSA-N 2 1 331.504 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001317018059 1332046280 /nfs/dbraw/zinc/04/62/80/1332046280.db2.gz YANSIOAEVGCBJZ-ROUUACIJSA-N 2 1 331.504 2.005 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001317718423 1332386873 /nfs/dbraw/zinc/38/68/73/1332386873.db2.gz NZYBQKBAHVDJST-SFHVURJKSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319197612 1332663897 /nfs/dbraw/zinc/66/38/97/1332663897.db2.gz QBIFTIKEMBPBTO-CNLJBLCWSA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319197612 1332663900 /nfs/dbraw/zinc/66/39/00/1332663900.db2.gz QBIFTIKEMBPBTO-CNLJBLCWSA-N 2 1 339.483 2.139 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285716 1332675312 /nfs/dbraw/zinc/67/53/12/1332675312.db2.gz PHXZTEUTMJGZHL-QUCCMNQESA-N 2 1 341.499 2.254 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001323637102 1333504019 /nfs/dbraw/zinc/50/40/19/1333504019.db2.gz JCKWVPAYVRNWDH-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323637102 1333504023 /nfs/dbraw/zinc/50/40/23/1333504023.db2.gz JCKWVPAYVRNWDH-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323637102 1333504025 /nfs/dbraw/zinc/50/40/25/1333504025.db2.gz JCKWVPAYVRNWDH-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001324752208 1333752221 /nfs/dbraw/zinc/75/22/21/1333752221.db2.gz PTQHHLBAHMMAEB-SFHVURJKSA-N 2 1 334.464 2.144 10 30 EEEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001324752207 1333752338 /nfs/dbraw/zinc/75/23/38/1333752338.db2.gz PTQHHLBAHMMAEB-GOSISDBHSA-N 2 1 334.464 2.144 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324879938 1333779295 /nfs/dbraw/zinc/77/92/95/1333779295.db2.gz HFRNQFKZGLXHBT-SFHVURJKSA-N 2 1 333.520 2.350 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974950 1333800415 /nfs/dbraw/zinc/80/04/15/1333800415.db2.gz CQXXVCDXMDCYMJ-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470224 1334099834 /nfs/dbraw/zinc/09/98/34/1334099834.db2.gz ZAUUISKNUNEAED-VQIMIIECSA-N 2 1 327.472 2.459 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309796 1334264349 /nfs/dbraw/zinc/26/43/49/1334264349.db2.gz YCBNNSRIJBCFAW-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098612 1334395914 /nfs/dbraw/zinc/39/59/14/1334395914.db2.gz PDBJRPPIDPQCRW-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001333140380 1335969923 /nfs/dbraw/zinc/96/99/23/1335969923.db2.gz GLDMMIZYGFSIAA-UHFFFAOYSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356147907 1338800477 /nfs/dbraw/zinc/80/04/77/1338800477.db2.gz CFOJHPQLCXMBPU-UHFFFAOYSA-N 2 1 346.523 2.371 10 30 EEEEMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001676064173 1357100352 /nfs/dbraw/zinc/10/03/52/1357100352.db2.gz VFSKWFKUFMZYQW-MRXNPFEDSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001676064173 1357100354 /nfs/dbraw/zinc/10/03/54/1357100354.db2.gz VFSKWFKUFMZYQW-MRXNPFEDSA-N 2 1 330.476 2.253 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640421 1343096420 /nfs/dbraw/zinc/09/64/20/1343096420.db2.gz AIYKGXDDQFSMMH-HOTGVXAUSA-N 2 1 333.451 2.002 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640420 1343096609 /nfs/dbraw/zinc/09/66/09/1343096609.db2.gz AIYKGXDDQFSMMH-CVEARBPZSA-N 2 1 333.451 2.002 10 30 EEEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571307792 1343176895 /nfs/dbraw/zinc/17/68/95/1343176895.db2.gz HLMYFJRPXAJYBO-UKRRQHHQSA-N 2 1 338.883 2.381 10 30 EEEEMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001571405400 1343205429 /nfs/dbraw/zinc/20/54/29/1343205429.db2.gz GAWBKOZNKBMGBF-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001571405399 1343205643 /nfs/dbraw/zinc/20/56/43/1343205643.db2.gz GAWBKOZNKBMGBF-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP C=CCOCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001660787740 1354538527 /nfs/dbraw/zinc/53/85/27/1354538527.db2.gz SQYGKMGVSGQKOU-UHFFFAOYSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665732598 1355377770 /nfs/dbraw/zinc/37/77/70/1355377770.db2.gz WJENPRTWRNOIBO-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665732598 1355377774 /nfs/dbraw/zinc/37/77/74/1355377774.db2.gz WJENPRTWRNOIBO-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001665732598 1355377780 /nfs/dbraw/zinc/37/77/80/1355377780.db2.gz WJENPRTWRNOIBO-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001665732598 1355377787 /nfs/dbraw/zinc/37/77/87/1355377787.db2.gz WJENPRTWRNOIBO-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668309107 1355920148 /nfs/dbraw/zinc/92/01/48/1355920148.db2.gz DIUNYWNPKNNRGX-DOTOQJQBSA-N 2 1 347.890 2.128 10 30 EEEEMP C[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039027 1356074321 /nfs/dbraw/zinc/07/43/21/1356074321.db2.gz ISNKINMSAIZGLR-WAYWQWQTSA-N 2 1 342.487 2.298 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001672356565 1356508576 /nfs/dbraw/zinc/50/85/76/1356508576.db2.gz XLZVGPQZLDSCGE-YRPNKDGESA-N 2 1 345.531 2.489 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001672978296 1356625856 /nfs/dbraw/zinc/62/58/56/1356625856.db2.gz CVYTVRZSZHFNCO-KZNAEPCWSA-N 2 1 342.487 2.042 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001673492137 1356696401 /nfs/dbraw/zinc/69/64/01/1356696401.db2.gz XOXNIORKEWOZJS-UHFFFAOYSA-N 2 1 347.478 2.298 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001673492137 1356696405 /nfs/dbraw/zinc/69/64/05/1356696405.db2.gz XOXNIORKEWOZJS-UHFFFAOYSA-N 2 1 347.478 2.298 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001673492137 1356696408 /nfs/dbraw/zinc/69/64/08/1356696408.db2.gz XOXNIORKEWOZJS-UHFFFAOYSA-N 2 1 347.478 2.298 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1CC)CCO2 ZINC001673522647 1356702990 /nfs/dbraw/zinc/70/29/90/1356702990.db2.gz RQQVQIDXEPMZOG-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CCO2 ZINC001673522647 1356702994 /nfs/dbraw/zinc/70/29/94/1356702994.db2.gz RQQVQIDXEPMZOG-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1CC)CCO2 ZINC001673522645 1356703329 /nfs/dbraw/zinc/70/33/29/1356703329.db2.gz RQQVQIDXEPMZOG-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP 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10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441575597 1095358757 /nfs/dbraw/zinc/35/87/57/1095358757.db2.gz ACTLQTQIZWWLOV-HNNXBMFYSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441575597 1095358765 /nfs/dbraw/zinc/35/87/65/1095358765.db2.gz ACTLQTQIZWWLOV-HNNXBMFYSA-N 2 1 327.900 2.442 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001441831441 1095885255 /nfs/dbraw/zinc/88/52/55/1095885255.db2.gz HNNIXAKLKWRJES-WMLDXEAASA-N 2 1 346.450 2.117 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903448 1096066544 /nfs/dbraw/zinc/06/65/44/1096066544.db2.gz UESJFFAIJYXGHP-RTBURBONSA-N 2 1 342.487 2.273 10 30 EEEEMP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001442949454 1097362873 /nfs/dbraw/zinc/36/28/73/1097362873.db2.gz FNRJIBVCJRLYBN-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1C#N 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KBSXIOXUMBJWJK-AZUAARDMSA-N 2 1 340.471 2.027 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081033 1102022657 /nfs/dbraw/zinc/02/26/57/1102022657.db2.gz KHZUKUPQFXZDHI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494081731 1103493171 /nfs/dbraw/zinc/49/31/71/1103493171.db2.gz BWQHUBCQZFWXDS-KRWDZBQOSA-N 2 1 327.472 2.213 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001448244603 1104236661 /nfs/dbraw/zinc/23/66/61/1104236661.db2.gz GKLFXDBZXLYSFM-MOPGFXCFSA-N 2 1 342.487 2.417 10 30 EEEEMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001501226898 1113251690 /nfs/dbraw/zinc/25/16/90/1113251690.db2.gz ZFTXGNWGZJXFHP-HDICACEKSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001501226898 1113251692 /nfs/dbraw/zinc/25/16/92/1113251692.db2.gz ZFTXGNWGZJXFHP-HDICACEKSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001506958325 1115005872 /nfs/dbraw/zinc/00/58/72/1115005872.db2.gz DBEXCFFLPWMZNI-IBGZPJMESA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001506958325 1115005874 /nfs/dbraw/zinc/00/58/74/1115005874.db2.gz DBEXCFFLPWMZNI-IBGZPJMESA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001506958325 1115005876 /nfs/dbraw/zinc/00/58/76/1115005876.db2.gz DBEXCFFLPWMZNI-IBGZPJMESA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001568363052 1124438818 /nfs/dbraw/zinc/43/88/18/1124438818.db2.gz NUIJPBMLWUREBA-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568919907 1124947496 /nfs/dbraw/zinc/94/74/96/1124947496.db2.gz LAIIQHUJSLLVMA-OGZRUICASA-N 2 1 331.863 2.213 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001569202020 1125161445 /nfs/dbraw/zinc/16/14/45/1125161445.db2.gz RTBSWMFVNFGWRM-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000104079364 159282715 /nfs/dbraw/zinc/28/27/15/159282715.db2.gz JDPLKWGBRWSHDA-UHFFFAOYSA-N 2 1 326.444 2.447 10 30 EEEEMP COc1cc(C#N)ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000120904661 463052889 /nfs/dbraw/zinc/05/28/89/463052889.db2.gz ZIVZJDYPXNGWQF-LJQANCHMSA-N 2 1 342.487 2.169 10 30 EEEEMP C[N@@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717540 468631892 /nfs/dbraw/zinc/63/18/92/468631892.db2.gz MTNYUKZQGMYHEU-SFHVURJKSA-N 2 1 337.508 2.302 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C[C@H]1CCC[N@H+]1CC ZINC000262371932 685683518 /nfs/dbraw/zinc/68/35/18/685683518.db2.gz ISOKGKDVFCLIAN-TWMKSMIVSA-N 2 1 336.524 2.182 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485658519 1191878569 /nfs/dbraw/zinc/87/85/69/1191878569.db2.gz VQYJDKLNKDBJTR-SLFFLAALSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCCCF)C1 ZINC001691964611 1176378667 /nfs/dbraw/zinc/37/86/67/1176378667.db2.gz BEDWHZDWLANNPO-ROUUACIJSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCCCF)C1 ZINC001691964611 1176378676 /nfs/dbraw/zinc/37/86/76/1176378676.db2.gz BEDWHZDWLANNPO-ROUUACIJSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCCF)C1 ZINC001691964611 1176378683 /nfs/dbraw/zinc/37/86/83/1176378683.db2.gz BEDWHZDWLANNPO-ROUUACIJSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCCF)C1 ZINC001691964611 1176378690 /nfs/dbraw/zinc/37/86/90/1176378690.db2.gz BEDWHZDWLANNPO-ROUUACIJSA-N 2 1 337.483 2.004 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001267042182 1178137573 /nfs/dbraw/zinc/13/75/73/1178137573.db2.gz XCSRSCBANMWHRY-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cc(C)sc2C)CC1 ZINC001480950614 1179104884 /nfs/dbraw/zinc/10/48/84/1179104884.db2.gz KWKIBSOOVLOGLB-UHFFFAOYSA-N 2 1 347.528 2.258 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024572 1181036011 /nfs/dbraw/zinc/03/60/11/1181036011.db2.gz IQJZIDODPAMTSY-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001268375994 1182389857 /nfs/dbraw/zinc/38/98/57/1182389857.db2.gz ZJIAJPDSFOSDLD-APWZRJJASA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001268375994 1182389864 /nfs/dbraw/zinc/38/98/64/1182389864.db2.gz ZJIAJPDSFOSDLD-APWZRJJASA-N 2 1 345.462 2.238 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824205 1182745080 /nfs/dbraw/zinc/74/50/80/1182745080.db2.gz QMBXVUVFDJLEGV-RBUKOAKNSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988991 1183093942 /nfs/dbraw/zinc/09/39/42/1183093942.db2.gz WLELPPFYKZKDIG-HOTGVXAUSA-N 2 1 327.900 2.299 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085310 1183314026 /nfs/dbraw/zinc/31/40/26/1183314026.db2.gz OFNRHLNKYMAIMM-QAPCUYQASA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482109678 1183339762 /nfs/dbraw/zinc/33/97/62/1183339762.db2.gz HIASCWMBTBIYMQ-OCCSQVGLSA-N 2 1 346.313 2.111 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001268725788 1183644288 /nfs/dbraw/zinc/64/42/88/1183644288.db2.gz OSXCIBZMJQMKFU-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001268725788 1183644291 /nfs/dbraw/zinc/64/42/91/1183644291.db2.gz OSXCIBZMJQMKFU-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268725788 1183644294 /nfs/dbraw/zinc/64/42/94/1183644294.db2.gz OSXCIBZMJQMKFU-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268725788 1183644298 /nfs/dbraw/zinc/64/42/98/1183644298.db2.gz OSXCIBZMJQMKFU-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268757509 1183676623 /nfs/dbraw/zinc/67/66/23/1183676623.db2.gz RWZOYUHMAOPMPK-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268757509 1183676629 /nfs/dbraw/zinc/67/66/29/1183676629.db2.gz RWZOYUHMAOPMPK-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001269427879 1184259393 /nfs/dbraw/zinc/25/93/93/1184259393.db2.gz CJNBFDFFUMCYOM-QAPCUYQASA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001269427879 1184259398 /nfs/dbraw/zinc/25/93/98/1184259398.db2.gz CJNBFDFFUMCYOM-QAPCUYQASA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001482508599 1186425635 /nfs/dbraw/zinc/42/56/35/1186425635.db2.gz COSKQOULZREWSE-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482508599 1186425637 /nfs/dbraw/zinc/42/56/37/1186425637.db2.gz COSKQOULZREWSE-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482508599 1186425641 /nfs/dbraw/zinc/42/56/41/1186425641.db2.gz COSKQOULZREWSE-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691570535 1188271348 /nfs/dbraw/zinc/27/13/48/1188271348.db2.gz ISOVPQSCTBJEDN-KURKYZTESA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661393 1193611575 /nfs/dbraw/zinc/61/15/75/1193611575.db2.gz RZGQNYUUNFNPLI-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661393 1193611576 /nfs/dbraw/zinc/61/15/76/1193611576.db2.gz RZGQNYUUNFNPLI-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC/C=C\CC)C[C@@H]3C2)CC1 ZINC001484415058 1191341791 /nfs/dbraw/zinc/34/17/91/1191341791.db2.gz MSGZJGADCUZNFX-GGJLBNBESA-N 2 1 343.515 2.078 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)CO2 ZINC001484799750 1191523748 /nfs/dbraw/zinc/52/37/48/1191523748.db2.gz NVOJXUWDJAGJOG-INIZCTEOSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)CO2 ZINC001484799750 1191523750 /nfs/dbraw/zinc/52/37/50/1191523750.db2.gz NVOJXUWDJAGJOG-INIZCTEOSA-N 2 1 349.519 2.175 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001484940946 1191586751 /nfs/dbraw/zinc/58/67/51/1191586751.db2.gz SZFVFBHCLKQFSV-KRWDZBQOSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001484940946 1191586753 /nfs/dbraw/zinc/58/67/53/1191586753.db2.gz SZFVFBHCLKQFSV-KRWDZBQOSA-N 2 1 330.476 2.212 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001485206438 1191693207 /nfs/dbraw/zinc/69/32/07/1191693207.db2.gz AZJHQBPRZAGAAF-CABCVRRESA-N 2 1 327.432 2.330 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230186 1191699243 /nfs/dbraw/zinc/69/92/43/1191699243.db2.gz QSJOQWUKCIKAJI-KBPBESRZSA-N 2 1 334.439 2.020 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389270 1191775800 /nfs/dbraw/zinc/77/58/00/1191775800.db2.gz RZSYCIBXSXHARZ-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389270 1191775802 /nfs/dbraw/zinc/77/58/02/1191775802.db2.gz RZSYCIBXSXHARZ-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001485389270 1191775805 /nfs/dbraw/zinc/77/58/05/1191775805.db2.gz RZSYCIBXSXHARZ-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001485389270 1191775807 /nfs/dbraw/zinc/77/58/07/1191775807.db2.gz RZSYCIBXSXHARZ-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000866615079 1201560641 /nfs/dbraw/zinc/56/06/41/1201560641.db2.gz BBGZATABXMIXMO-PMACEKPBSA-N 2 1 325.456 2.258 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001275177580 1205274688 /nfs/dbraw/zinc/27/46/88/1205274688.db2.gz WDPICLAWHYHOGZ-LJQANCHMSA-N 2 1 331.504 2.055 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001491232246 1258817576 /nfs/dbraw/zinc/81/75/76/1258817576.db2.gz WSCRYRFIAHWLKP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001491232246 1258817585 /nfs/dbraw/zinc/81/75/85/1258817585.db2.gz WSCRYRFIAHWLKP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001491232246 1258817593 /nfs/dbraw/zinc/81/75/93/1258817593.db2.gz WSCRYRFIAHWLKP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001491232246 1258817602 /nfs/dbraw/zinc/81/76/02/1258817602.db2.gz WSCRYRFIAHWLKP-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2ccnc2C(C)C)C1 ZINC001491297241 1258914328 /nfs/dbraw/zinc/91/43/28/1258914328.db2.gz HHWOFTYRKJBOKY-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297241 1258914332 /nfs/dbraw/zinc/91/43/32/1258914332.db2.gz HHWOFTYRKJBOKY-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297241 1258914338 /nfs/dbraw/zinc/91/43/38/1258914338.db2.gz HHWOFTYRKJBOKY-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC=C(C)C)C1 ZINC001490766180 1291702617 /nfs/dbraw/zinc/70/26/17/1291702617.db2.gz LTKYTROINMBAFT-MOPGFXCFSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001490766180 1291702627 /nfs/dbraw/zinc/70/26/27/1291702627.db2.gz LTKYTROINMBAFT-MOPGFXCFSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC=C(C)C)C1 ZINC001490766180 1291702632 /nfs/dbraw/zinc/70/26/32/1291702632.db2.gz LTKYTROINMBAFT-MOPGFXCFSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC=C(C)C)C1 ZINC001490766180 1291702640 /nfs/dbraw/zinc/70/26/40/1291702640.db2.gz LTKYTROINMBAFT-MOPGFXCFSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001278184065 1306209273 /nfs/dbraw/zinc/20/92/73/1306209273.db2.gz GWZPWCFAAVGAEF-IAGOWNOFSA-N 2 1 337.483 2.003 10 30 EEEEMP C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCOCC1 ZINC001118669029 1308918061 /nfs/dbraw/zinc/91/80/61/1308918061.db2.gz NTKUDXPDSSGBNT-LJQANCHMSA-N 2 1 345.462 2.096 10 30 EEEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419675 1310181797 /nfs/dbraw/zinc/18/17/97/1310181797.db2.gz DOYVZNJSNWRQST-LPHOPBHVSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419675 1310181803 /nfs/dbraw/zinc/18/18/03/1310181803.db2.gz DOYVZNJSNWRQST-LPHOPBHVSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001264592560 1322744261 /nfs/dbraw/zinc/74/42/61/1322744261.db2.gz LIBGOOAXYYSONC-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001264592560 1322744264 /nfs/dbraw/zinc/74/42/64/1322744264.db2.gz LIBGOOAXYYSONC-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264592560 1322744266 /nfs/dbraw/zinc/74/42/66/1322744266.db2.gz LIBGOOAXYYSONC-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264592560 1322744271 /nfs/dbraw/zinc/74/42/71/1322744271.db2.gz LIBGOOAXYYSONC-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653018 1322767219 /nfs/dbraw/zinc/76/72/19/1322767219.db2.gz FYPOUBCKQYFORK-MSOLQXFVSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653018 1322767223 /nfs/dbraw/zinc/76/72/23/1322767223.db2.gz FYPOUBCKQYFORK-MSOLQXFVSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001264683372 1322782577 /nfs/dbraw/zinc/78/25/77/1322782577.db2.gz BSUFUKILDCKFSU-ICSRJNTNSA-N 2 1 349.519 2.036 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001280074458 1324076404 /nfs/dbraw/zinc/07/64/04/1324076404.db2.gz UWJZKYQSPMEJIE-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 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C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099290 1332078285 /nfs/dbraw/zinc/07/82/85/1332078285.db2.gz AGZNWSCESWJHQF-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001317292746 1332167324 /nfs/dbraw/zinc/16/73/24/1332167324.db2.gz CAZNCEQEMPJEKF-WIYYLYMNSA-N 2 1 349.478 2.435 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317436663 1332240375 /nfs/dbraw/zinc/24/03/75/1332240375.db2.gz XLNPCCBQXGGOAQ-GOSISDBHSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437737 1332240595 /nfs/dbraw/zinc/24/05/95/1332240595.db2.gz XAMYAUCBNMCFBX-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437737 1332240598 /nfs/dbraw/zinc/24/05/98/1332240598.db2.gz XAMYAUCBNMCFBX-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800154 1332413554 /nfs/dbraw/zinc/41/35/54/1332413554.db2.gz GGMDQTCFRUHJRF-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800154 1332413558 /nfs/dbraw/zinc/41/35/58/1332413558.db2.gz GGMDQTCFRUHJRF-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001318804638 1332600973 /nfs/dbraw/zinc/60/09/73/1332600973.db2.gz KUWGAKRLECGXBK-RTBURBONSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001318841809 1332608633 /nfs/dbraw/zinc/60/86/33/1332608633.db2.gz FQQPKCHOCIGJRX-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001319374306 1332692132 /nfs/dbraw/zinc/69/21/32/1332692132.db2.gz GGFFNJLADLWZFU-IBGZPJMESA-N 2 1 337.483 2.241 10 30 EEEEMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001326976673 1334195469 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2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001675030480 1356927279 /nfs/dbraw/zinc/92/72/79/1356927279.db2.gz KQSIOTPFUWFXNJ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675030480 1356927282 /nfs/dbraw/zinc/92/72/82/1356927282.db2.gz KQSIOTPFUWFXNJ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675030480 1356927285 /nfs/dbraw/zinc/92/72/85/1356927285.db2.gz KQSIOTPFUWFXNJ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566877894 1342646104 /nfs/dbraw/zinc/64/61/04/1342646104.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877894 1342646105 /nfs/dbraw/zinc/64/61/05/1342646105.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877894 1342646106 /nfs/dbraw/zinc/64/61/06/1342646106.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967803 1342668438 /nfs/dbraw/zinc/66/84/38/1342668438.db2.gz WFZBBLDLDCEVFC-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967803 1342668444 /nfs/dbraw/zinc/66/84/44/1342668444.db2.gz WFZBBLDLDCEVFC-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566967803 1342668449 /nfs/dbraw/zinc/66/84/49/1342668449.db2.gz WFZBBLDLDCEVFC-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566967803 1342668453 /nfs/dbraw/zinc/66/84/53/1342668453.db2.gz WFZBBLDLDCEVFC-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208617 1342711913 /nfs/dbraw/zinc/71/19/13/1342711913.db2.gz RTBDSKFICGDKNX-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410346 /nfs/dbraw/zinc/41/03/46/1354410346.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410347 /nfs/dbraw/zinc/41/03/47/1354410347.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410348 /nfs/dbraw/zinc/41/03/48/1354410348.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410349 /nfs/dbraw/zinc/41/03/49/1354410349.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410350 /nfs/dbraw/zinc/41/03/50/1354410350.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001661220948 1354611402 /nfs/dbraw/zinc/61/14/02/1354611402.db2.gz LSALYLOOAQLHGO-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001661220948 1354611406 /nfs/dbraw/zinc/61/14/06/1354611406.db2.gz LSALYLOOAQLHGO-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001661220948 1354611416 /nfs/dbraw/zinc/61/14/16/1354611416.db2.gz LSALYLOOAQLHGO-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001663200647 1354934270 /nfs/dbraw/zinc/93/42/70/1354934270.db2.gz BVFMUCJJMNSALN-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001663200647 1354934275 /nfs/dbraw/zinc/93/42/75/1354934275.db2.gz BVFMUCJJMNSALN-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001663200647 1354934278 /nfs/dbraw/zinc/93/42/78/1354934278.db2.gz BVFMUCJJMNSALN-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001663200647 1354934281 /nfs/dbraw/zinc/93/42/81/1354934281.db2.gz BVFMUCJJMNSALN-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C[NH+](CC(=O)NCC[N@@H+](C)CC#Cc1ccccc1Cl)C1CCC1 ZINC001663197749 1354934536 /nfs/dbraw/zinc/93/45/36/1354934536.db2.gz ZZZODRSKMZJKLI-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC(=O)NCC[N@H+](C)CC#Cc1ccccc1Cl)C1CCC1 ZINC001663197749 1354934540 /nfs/dbraw/zinc/93/45/40/1354934540.db2.gz ZZZODRSKMZJKLI-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001663197749 1354934542 /nfs/dbraw/zinc/93/45/42/1354934542.db2.gz ZZZODRSKMZJKLI-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001663197749 1354934544 /nfs/dbraw/zinc/93/45/44/1354934544.db2.gz ZZZODRSKMZJKLI-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001664272748 1355127264 /nfs/dbraw/zinc/12/72/64/1355127264.db2.gz UQBMYUFTPVJGDA-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765870 1355384621 /nfs/dbraw/zinc/38/46/21/1355384621.db2.gz PHHSHXIIFOOAGD-MSOLQXFVSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001666120367 1355457918 /nfs/dbraw/zinc/45/79/18/1355457918.db2.gz SMZGLEYNRDWAJM-ZTXDWSKGSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001666120367 1355457920 /nfs/dbraw/zinc/45/79/20/1355457920.db2.gz SMZGLEYNRDWAJM-ZTXDWSKGSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001666370994 1355518883 /nfs/dbraw/zinc/51/88/83/1355518883.db2.gz PJUDHLJPTNCEEG-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001668091707 1355867146 /nfs/dbraw/zinc/86/71/46/1355867146.db2.gz AKTZJRHEMIFIFB-MJGOQNOKSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001668091707 1355867160 /nfs/dbraw/zinc/86/71/60/1355867160.db2.gz AKTZJRHEMIFIFB-MJGOQNOKSA-N 2 1 331.504 2.459 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001669749968 1356202859 /nfs/dbraw/zinc/20/28/59/1356202859.db2.gz DDFNWKSDVXUXGP-RXVVDRJESA-N 2 1 349.478 2.435 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001672987156 1356627479 /nfs/dbraw/zinc/62/74/79/1356627479.db2.gz MBHGIRWZXSFGEQ-VJANTYMQSA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001674458797 1356838997 /nfs/dbraw/zinc/83/89/97/1356838997.db2.gz YBESXPIEPYHXRV-INIZCTEOSA-N 2 1 333.501 2.369 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001675360067 1356970055 /nfs/dbraw/zinc/97/00/55/1356970055.db2.gz RLIVWHLHSMIDCJ-XLIONFOSSA-N 2 1 341.499 2.061 10 30 EEEEMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001675421891 1356976534 /nfs/dbraw/zinc/97/65/34/1356976534.db2.gz COMCOFZUMZAKAY-AZUAARDMSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421891 1356976536 /nfs/dbraw/zinc/97/65/36/1356976536.db2.gz COMCOFZUMZAKAY-AZUAARDMSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421891 1356976541 /nfs/dbraw/zinc/97/65/41/1356976541.db2.gz COMCOFZUMZAKAY-AZUAARDMSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033092 779746882 /nfs/dbraw/zinc/74/68/82/779746882.db2.gz MDWBEQPVYDPSPP-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033092 779746890 /nfs/dbraw/zinc/74/68/90/779746890.db2.gz MDWBEQPVYDPSPP-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820086503 785784603 /nfs/dbraw/zinc/78/46/03/785784603.db2.gz GHQWRIDBKGEKEX-YJBOKZPZSA-N 2 1 348.466 2.071 10 30 EEEEMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820086503 785784611 /nfs/dbraw/zinc/78/46/11/785784611.db2.gz GHQWRIDBKGEKEX-YJBOKZPZSA-N 2 1 348.466 2.071 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000923494425 789666085 /nfs/dbraw/zinc/66/60/85/789666085.db2.gz XKBOMNPPHCCXOY-KBAYOESNSA-N 2 1 348.487 2.080 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001566537241 1125706609 /nfs/dbraw/zinc/70/66/09/1125706609.db2.gz LEUKJIZFTDMTMF-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001566537241 1125706615 /nfs/dbraw/zinc/70/66/15/1125706615.db2.gz LEUKJIZFTDMTMF-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001439889109 1092946019 /nfs/dbraw/zinc/94/60/19/1092946019.db2.gz VVPAKVJMQHLEEF-YQQAZPJKSA-N 2 1 327.900 2.297 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440761075 1094003290 /nfs/dbraw/zinc/00/32/90/1094003290.db2.gz ORRVMAFLPJGTCM-UHFFFAOYSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001479736968 1098846453 /nfs/dbraw/zinc/84/64/53/1098846453.db2.gz AZEKUHCITHNYDU-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001479736968 1098846476 /nfs/dbraw/zinc/84/64/76/1098846476.db2.gz AZEKUHCITHNYDU-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001496581582 1101181382 /nfs/dbraw/zinc/18/13/82/1101181382.db2.gz NJTDVAAAKBZOBY-INIZCTEOSA-N 2 1 345.472 2.055 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627106 1101231134 /nfs/dbraw/zinc/23/11/34/1101231134.db2.gz ISVMOUVSPSDBOS-RTBURBONSA-N 2 1 342.487 2.130 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001447777443 1103303340 /nfs/dbraw/zinc/30/33/40/1103303340.db2.gz VZSQJWCGGZKCPQ-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001495083805 1104723097 /nfs/dbraw/zinc/72/30/97/1104723097.db2.gz JHRAUPPVPIUEOR-SFHVURJKSA-N 2 1 333.451 2.003 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480666506 1106846801 /nfs/dbraw/zinc/84/68/01/1106846801.db2.gz VZFVZDYPLSOVPU-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480701699 1106914486 /nfs/dbraw/zinc/91/44/86/1106914486.db2.gz MPHXFSACMJEDFB-VQTJNVASSA-N 2 1 341.499 2.201 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001480785280 1107113683 /nfs/dbraw/zinc/11/36/83/1107113683.db2.gz KUFVHPXGYYKFTP-HKUYNNGSSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001478734382 1110657191 /nfs/dbraw/zinc/65/71/91/1110657191.db2.gz CDOHJAGGBRTIGG-SFHVURJKSA-N 2 1 342.487 2.030 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001478734382 1110657193 /nfs/dbraw/zinc/65/71/93/1110657193.db2.gz CDOHJAGGBRTIGG-SFHVURJKSA-N 2 1 342.487 2.030 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001478734382 1110657195 /nfs/dbraw/zinc/65/71/95/1110657195.db2.gz CDOHJAGGBRTIGG-SFHVURJKSA-N 2 1 342.487 2.030 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001479332603 1110682475 /nfs/dbraw/zinc/68/24/75/1110682475.db2.gz DFEDMUIPYRGLST-WOVMCDHWSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001500007433 1112577289 /nfs/dbraw/zinc/57/72/89/1112577289.db2.gz RQUNWJFOKPIRDB-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001500007433 1112577292 /nfs/dbraw/zinc/57/72/92/1112577292.db2.gz RQUNWJFOKPIRDB-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722361 1114832341 /nfs/dbraw/zinc/83/23/41/1114832341.db2.gz OSKMABXKKVXTBI-MJGOQNOKSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001506858507 1114924081 /nfs/dbraw/zinc/92/40/81/1114924081.db2.gz MOGDLKCWKAALTQ-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001506858507 1114924084 /nfs/dbraw/zinc/92/40/84/1114924084.db2.gz MOGDLKCWKAALTQ-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001506934319 1114984954 /nfs/dbraw/zinc/98/49/54/1114984954.db2.gz UIVJEXXFHOAQGW-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507035718 1115071891 /nfs/dbraw/zinc/07/18/91/1115071891.db2.gz LDOPKQVEQIZRRJ-MOPGFXCFSA-N 2 1 327.472 2.139 10 30 EEEEMP C=C(C)C[NH2+]CC1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001568007585 1124227441 /nfs/dbraw/zinc/22/74/41/1124227441.db2.gz JZKBLBYJXMCCMS-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569030593 1125053177 /nfs/dbraw/zinc/05/31/77/1125053177.db2.gz WFCPBGQHPVJWFG-NVXWUHKLSA-N 2 1 347.890 2.128 10 30 EEEEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343530535 465523773 /nfs/dbraw/zinc/52/37/73/465523773.db2.gz OGBXZNGCGGYOPU-FQEVSTJZSA-N 2 1 326.488 2.355 10 30 EEEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343530535 465523777 /nfs/dbraw/zinc/52/37/77/465523777.db2.gz OGBXZNGCGGYOPU-FQEVSTJZSA-N 2 1 326.488 2.355 10 30 EEEEMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433020388 467284874 /nfs/dbraw/zinc/28/48/74/467284874.db2.gz RSZMJZWEWGWNHU-SFHVURJKSA-N 2 1 328.460 2.175 10 30 EEEEMP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000590315043 468233310 /nfs/dbraw/zinc/23/33/10/468233310.db2.gz HMTYITXRHMOMDC-ZWKOTPCHSA-N 2 1 346.519 2.476 10 30 EEEEMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594497520 468609384 /nfs/dbraw/zinc/60/93/84/468609384.db2.gz CUIRPNHQDNFZSI-LJQANCHMSA-N 2 1 329.444 2.170 10 30 EEEEMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595944695 469094452 /nfs/dbraw/zinc/09/44/52/469094452.db2.gz IVWLWQQQJNXXNM-RTBURBONSA-N 2 1 342.487 2.173 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001485658883 1191879431 /nfs/dbraw/zinc/87/94/31/1191879431.db2.gz ZRLHHDZVNHTYRZ-IPMKNSEASA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485661705 1191881878 /nfs/dbraw/zinc/88/18/78/1191881878.db2.gz IEVWDVILSPNNNO-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485661705 1191881880 /nfs/dbraw/zinc/88/18/80/1191881880.db2.gz IEVWDVILSPNNNO-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266431152 1176525671 /nfs/dbraw/zinc/52/56/71/1176525671.db2.gz LCBFILWQPXUQMB-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266939524 1177854228 /nfs/dbraw/zinc/85/42/28/1177854228.db2.gz JUEZVOPMFBPDPU-HDMKZQKVSA-N 2 1 347.890 2.126 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402254 1178011744 /nfs/dbraw/zinc/01/17/44/1178011744.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402254 1178011750 /nfs/dbraw/zinc/01/17/50/1178011750.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402254 1178011756 /nfs/dbraw/zinc/01/17/56/1178011756.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 2 1 325.472 2.308 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001267114148 1178275064 /nfs/dbraw/zinc/27/50/64/1178275064.db2.gz BUPVKOYIYHZBFE-WMZOPIPTSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001267233353 1178560695 /nfs/dbraw/zinc/56/06/95/1178560695.db2.gz SKIMSTZBRMCWPI-HXUWFJFHSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1Cl ZINC001267807166 1180559081 /nfs/dbraw/zinc/55/90/81/1180559081.db2.gz SRHCXQDJVGJQNZ-AEFFLSMTSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1Cl ZINC001267807166 1180559086 /nfs/dbraw/zinc/55/90/86/1180559086.db2.gz SRHCXQDJVGJQNZ-AEFFLSMTSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001481334513 1181058473 /nfs/dbraw/zinc/05/84/73/1181058473.db2.gz YPCPACHCSDMMEJ-MJGOQNOKSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001481520007 1181633150 /nfs/dbraw/zinc/63/31/50/1181633150.db2.gz YZPQQXYHOFWNHP-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001481520007 1181633153 /nfs/dbraw/zinc/63/31/53/1181633153.db2.gz YZPQQXYHOFWNHP-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001481520007 1181633155 /nfs/dbraw/zinc/63/31/55/1181633155.db2.gz YZPQQXYHOFWNHP-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481737760 1182453104 /nfs/dbraw/zinc/45/31/04/1182453104.db2.gz CPDNYMDEYWJZOO-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481737760 1182453109 /nfs/dbraw/zinc/45/31/09/1182453109.db2.gz CPDNYMDEYWJZOO-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880830 1182863210 /nfs/dbraw/zinc/86/32/10/1182863210.db2.gz HQYWINGWXMPXBG-YOEHRIQHSA-N 2 1 348.516 2.479 10 30 EEEEMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268591287 1183393243 /nfs/dbraw/zinc/39/32/43/1183393243.db2.gz PZCLETZPVHLTLP-GIFJBRJJSA-N 2 1 325.472 2.427 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439878 1185724933 /nfs/dbraw/zinc/72/49/33/1185724933.db2.gz WXMTXFIOWYSBRW-ICSRJNTNSA-N 2 1 341.499 2.205 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482462894 1185933072 /nfs/dbraw/zinc/93/30/72/1185933072.db2.gz WDGDMIMESZFZIG-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482462894 1185933076 /nfs/dbraw/zinc/93/30/76/1185933076.db2.gz WDGDMIMESZFZIG-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001482480744 1186063109 /nfs/dbraw/zinc/06/31/09/1186063109.db2.gz NBXFGDCOEMNCNB-FUHWJXTLSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001271346599 1186152186 /nfs/dbraw/zinc/15/21/86/1186152186.db2.gz FFDJGQXAFDRICR-YTQUADARSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001483137388 1188687003 /nfs/dbraw/zinc/68/70/03/1188687003.db2.gz PLJMFBOZXVKHHO-CCKFTAQKSA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001483137388 1188687004 /nfs/dbraw/zinc/68/70/04/1188687004.db2.gz PLJMFBOZXVKHHO-CCKFTAQKSA-N 2 1 343.446 2.005 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001409342232 1189547897 /nfs/dbraw/zinc/54/78/97/1189547897.db2.gz BHSHWJUGFRYNSH-STQMWFEESA-N 2 1 348.329 2.356 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001483817814 1191046228 /nfs/dbraw/zinc/04/62/28/1191046228.db2.gz ZTTKVAOZSPNVHO-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001483817814 1191046230 /nfs/dbraw/zinc/04/62/30/1191046230.db2.gz ZTTKVAOZSPNVHO-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001483817814 1191046232 /nfs/dbraw/zinc/04/62/32/1191046232.db2.gz ZTTKVAOZSPNVHO-WOJBJXKFSA-N 2 1 343.515 2.340 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484110563 1191216803 /nfs/dbraw/zinc/21/68/03/1191216803.db2.gz KRUFFWJPROVSEV-QFBILLFUSA-N 2 1 330.476 2.158 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385412 1191325886 /nfs/dbraw/zinc/32/58/86/1191325886.db2.gz ZGIJWKZNZZNNIN-APWZRJJASA-N 2 1 342.487 2.083 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001484817027 1191538524 /nfs/dbraw/zinc/53/85/24/1191538524.db2.gz SYFDJNXVIQLRPH-QGZVFWFLSA-N 2 1 342.487 2.138 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001486151999 1193702492 /nfs/dbraw/zinc/70/24/92/1193702492.db2.gz ZQXJEKWOMOXZCJ-RHSMWYFYSA-N 2 1 325.884 2.194 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001486151999 1193702494 /nfs/dbraw/zinc/70/24/94/1193702494.db2.gz ZQXJEKWOMOXZCJ-RHSMWYFYSA-N 2 1 325.884 2.194 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666483 1201574301 /nfs/dbraw/zinc/57/43/01/1201574301.db2.gz SPYNHNVBTAKKMO-KURKYZTESA-N 2 1 327.428 2.094 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666483 1201574303 /nfs/dbraw/zinc/57/43/03/1201574303.db2.gz SPYNHNVBTAKKMO-KURKYZTESA-N 2 1 327.428 2.094 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000867963502 1201716268 /nfs/dbraw/zinc/71/62/68/1201716268.db2.gz WEKZSZMSIOIINH-CLCXKQKWSA-N 2 1 340.471 2.124 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000867963502 1201716271 /nfs/dbraw/zinc/71/62/71/1201716271.db2.gz WEKZSZMSIOIINH-CLCXKQKWSA-N 2 1 340.471 2.124 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCCCF ZINC001275114420 1205260530 /nfs/dbraw/zinc/26/05/30/1205260530.db2.gz IYWGKZRWACGSST-MSOLQXFVSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001275114420 1205260531 /nfs/dbraw/zinc/26/05/31/1205260531.db2.gz IYWGKZRWACGSST-MSOLQXFVSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCCCF ZINC001275114420 1205260533 /nfs/dbraw/zinc/26/05/33/1205260533.db2.gz IYWGKZRWACGSST-MSOLQXFVSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCCCF ZINC001275114420 1205260536 /nfs/dbraw/zinc/26/05/36/1205260536.db2.gz IYWGKZRWACGSST-MSOLQXFVSA-N 2 1 337.483 2.147 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275659480 1205470164 /nfs/dbraw/zinc/47/01/64/1205470164.db2.gz VYCSZZLPBYCJMI-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275659480 1205470165 /nfs/dbraw/zinc/47/01/65/1205470165.db2.gz VYCSZZLPBYCJMI-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001275659480 1205470166 /nfs/dbraw/zinc/47/01/66/1205470166.db2.gz VYCSZZLPBYCJMI-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001276318416 1215696114 /nfs/dbraw/zinc/69/61/14/1215696114.db2.gz BQPCSLTYWXMUQM-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318416 1215696116 /nfs/dbraw/zinc/69/61/16/1215696116.db2.gz BQPCSLTYWXMUQM-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318416 1215696118 /nfs/dbraw/zinc/69/61/18/1215696118.db2.gz BQPCSLTYWXMUQM-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC=C ZINC001490968808 1258517674 /nfs/dbraw/zinc/51/76/74/1258517674.db2.gz CWASBZMOUULPLD-IPQPSQTFSA-N 2 1 329.488 2.162 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC=C ZINC001490968808 1258517679 /nfs/dbraw/zinc/51/76/79/1258517679.db2.gz CWASBZMOUULPLD-IPQPSQTFSA-N 2 1 329.488 2.162 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC=C ZINC001490968808 1258517681 /nfs/dbraw/zinc/51/76/81/1258517681.db2.gz CWASBZMOUULPLD-IPQPSQTFSA-N 2 1 329.488 2.162 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC=C ZINC001490968808 1258517686 /nfs/dbraw/zinc/51/76/86/1258517686.db2.gz CWASBZMOUULPLD-IPQPSQTFSA-N 2 1 329.488 2.162 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001491463728 1259115809 /nfs/dbraw/zinc/11/58/09/1259115809.db2.gz QGBNGPILRPTMHV-DOPJRALCSA-N 2 1 346.450 2.022 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001491463728 1259115815 /nfs/dbraw/zinc/11/58/15/1259115815.db2.gz QGBNGPILRPTMHV-DOPJRALCSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486905 1259137002 /nfs/dbraw/zinc/13/70/02/1259137002.db2.gz QYQRFERBBGELJG-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001490281425 1291112137 /nfs/dbraw/zinc/11/21/37/1291112137.db2.gz JBNKDRGXMNGFGU-UHFFFAOYSA-N 2 1 333.520 2.206 10 30 EEEEMP C=CCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 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ZINC001665397160 1355299057 /nfs/dbraw/zinc/29/90/57/1355299057.db2.gz YHDUBRMIGOMPGC-FHWLQOOXSA-N 2 1 331.504 2.340 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001667059894 1355642298 /nfs/dbraw/zinc/64/22/98/1355642298.db2.gz WNRYBVXIYVKGEU-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001668868865 1356029953 /nfs/dbraw/zinc/02/99/53/1356029953.db2.gz SWMBIBCVLFOGDU-RRFGBZISSA-N 2 1 339.483 2.175 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957831 1356443744 /nfs/dbraw/zinc/44/37/44/1356443744.db2.gz RHIKCXVOHHEATR-CALCHBBNSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC=C)CC1 ZINC001672543371 1356551800 /nfs/dbraw/zinc/55/18/00/1356551800.db2.gz IIPQVRAQXRSSFN-PMACEKPBSA-N 2 1 343.515 2.363 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001674142530 1356797611 /nfs/dbraw/zinc/79/76/11/1356797611.db2.gz UEJGWKXHIDZRQE-IRXDYDNUSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001675252791 1356951883 /nfs/dbraw/zinc/95/18/83/1356951883.db2.gz DXWHMQQJURMGAN-IRXDYDNUSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001699011058 1405225787 /nfs/dbraw/zinc/22/57/87/1405225787.db2.gz LJFYMFFRMMMZSE-GOSISDBHSA-N 2 1 335.536 2.404 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033748 779748987 /nfs/dbraw/zinc/74/89/87/779748987.db2.gz ULKXMDIQQHLXRR-UKRRQHHQSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033748 779748993 /nfs/dbraw/zinc/74/89/93/779748993.db2.gz ULKXMDIQQHLXRR-UKRRQHHQSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033748 779748999 /nfs/dbraw/zinc/74/89/99/779748999.db2.gz ULKXMDIQQHLXRR-UKRRQHHQSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033748 779749001 /nfs/dbraw/zinc/74/90/01/779749001.db2.gz ULKXMDIQQHLXRR-UKRRQHHQSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921961229 798420431 /nfs/dbraw/zinc/42/04/31/798420431.db2.gz OSNPSBYSTHBYRH-GOSISDBHSA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001566453027 1125611574 /nfs/dbraw/zinc/61/15/74/1125611574.db2.gz CHMPACCZMWPPOO-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566453027 1125611579 /nfs/dbraw/zinc/61/15/79/1125611579.db2.gz CHMPACCZMWPPOO-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566453027 1125611584 /nfs/dbraw/zinc/61/15/84/1125611584.db2.gz CHMPACCZMWPPOO-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300967 1090780769 /nfs/dbraw/zinc/78/07/69/1090780769.db2.gz LWIHCKKFAFRWAF-WMLDXEAASA-N 2 1 348.516 2.479 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC001440189225 1093252016 /nfs/dbraw/zinc/25/20/16/1093252016.db2.gz IOFZZNRWUOAICJ-OALUTQOASA-N 2 1 340.471 2.075 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001441315191 1094768588 /nfs/dbraw/zinc/76/85/88/1094768588.db2.gz XRGRJYBNDHTRAG-JKSUJKDBSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001441315191 1094768599 /nfs/dbraw/zinc/76/85/99/1094768599.db2.gz XRGRJYBNDHTRAG-JKSUJKDBSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001441315191 1094768606 /nfs/dbraw/zinc/76/86/06/1094768606.db2.gz XRGRJYBNDHTRAG-JKSUJKDBSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001479610220 1098633059 /nfs/dbraw/zinc/63/30/59/1098633059.db2.gz BYIDIZGCSOZBDG-YZGWKJHDSA-N 2 1 345.531 2.491 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492446 1100304428 /nfs/dbraw/zinc/30/44/28/1100304428.db2.gz KLPBFRHICBWKDV-YOEHRIQHSA-N 2 1 348.516 2.334 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001497843821 1103182359 /nfs/dbraw/zinc/18/23/59/1103182359.db2.gz ZQQSOQHDEIIGES-UYAOXDASSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001498055233 1106852875 /nfs/dbraw/zinc/85/28/75/1106852875.db2.gz NGUCHHKPTROEDX-JYJNAYRXSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001498055233 1106852886 /nfs/dbraw/zinc/85/28/86/1106852886.db2.gz NGUCHHKPTROEDX-JYJNAYRXSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001501698273 1113440293 /nfs/dbraw/zinc/44/02/93/1113440293.db2.gz JARRTFLCXVWCIT-VJANTYMQSA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001507291257 1115176801 /nfs/dbraw/zinc/17/68/01/1115176801.db2.gz ZIHFMUDBKORYRY-QAPCUYQASA-N 2 1 339.443 2.426 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001520505570 1119170972 /nfs/dbraw/zinc/17/09/72/1119170972.db2.gz WPLBNDVFLWVPOU-IKGGRYGDSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001520505570 1119170975 /nfs/dbraw/zinc/17/09/75/1119170975.db2.gz WPLBNDVFLWVPOU-IKGGRYGDSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001520505570 1119170978 /nfs/dbraw/zinc/17/09/78/1119170978.db2.gz WPLBNDVFLWVPOU-IKGGRYGDSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001520505570 1119170980 /nfs/dbraw/zinc/17/09/80/1119170980.db2.gz WPLBNDVFLWVPOU-IKGGRYGDSA-N 2 1 346.523 2.397 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001568087648 1124291679 /nfs/dbraw/zinc/29/16/79/1124291679.db2.gz ISUMDBICAFKYMP-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923108 1124952431 /nfs/dbraw/zinc/95/24/31/1124952431.db2.gz KKDBSOQGYPQKQZ-JCMVTEASSA-N 2 1 327.472 2.170 10 30 EEEEMP C#CC[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001486375523 1193881765 /nfs/dbraw/zinc/88/17/65/1193881765.db2.gz JSZKECPNULFXKY-GOSISDBHSA-N 2 1 325.472 2.001 10 30 EEEEMP C#CC[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001486375523 1193881771 /nfs/dbraw/zinc/88/17/71/1193881771.db2.gz JSZKECPNULFXKY-GOSISDBHSA-N 2 1 325.472 2.001 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594437798 468586836 /nfs/dbraw/zinc/58/68/36/468586836.db2.gz FNNSGMSLHPXLDZ-NXHRZFHOSA-N 2 1 328.460 2.177 10 30 EEEEMP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000600715387 468631027 /nfs/dbraw/zinc/63/10/27/468631027.db2.gz CKXBMFZIIPQGFV-IBGZPJMESA-N 2 1 327.472 2.338 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729203 468638100 /nfs/dbraw/zinc/63/81/00/468638100.db2.gz SMWCIYACNIWTKK-QZTJIDSGSA-N 2 1 337.508 2.015 10 30 EEEEMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323266 468938128 /nfs/dbraw/zinc/93/81/28/468938128.db2.gz SAAHAUORJUEMTD-YQVWRLOYSA-N 2 1 329.444 2.428 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812947 469079023 /nfs/dbraw/zinc/07/90/23/469079023.db2.gz QKVIYAOOAUBFIB-YLJYHZDGSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812947 469079029 /nfs/dbraw/zinc/07/90/29/469079029.db2.gz QKVIYAOOAUBFIB-YLJYHZDGSA-N 2 1 326.488 2.475 10 30 EEEEMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262329084 685366597 /nfs/dbraw/zinc/36/65/97/685366597.db2.gz AOHGJUDDHXFACW-OKMQIQTRSA-N 2 1 336.524 2.370 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570983 1191840037 /nfs/dbraw/zinc/84/00/37/1191840037.db2.gz XSWFRKMOIUGVGY-HZPDHXFCSA-N 2 1 330.476 2.238 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001266544668 1176802652 /nfs/dbraw/zinc/80/26/52/1176802652.db2.gz FVZUZKSCWWRDAY-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001266557198 1176838458 /nfs/dbraw/zinc/83/84/58/1176838458.db2.gz RQPPDEORCPAHOM-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481172586 1179987038 /nfs/dbraw/zinc/98/70/38/1179987038.db2.gz HKTGNLOFUCDEOA-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481172586 1179987045 /nfs/dbraw/zinc/98/70/45/1179987045.db2.gz HKTGNLOFUCDEOA-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172586 1179987053 /nfs/dbraw/zinc/98/70/53/1179987053.db2.gz HKTGNLOFUCDEOA-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172586 1179987060 /nfs/dbraw/zinc/98/70/60/1179987060.db2.gz HKTGNLOFUCDEOA-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001267779985 1180517591 /nfs/dbraw/zinc/51/75/91/1180517591.db2.gz YEAKGMWQPRQNPP-LIXSYLKWSA-N 2 1 331.504 2.221 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001481911905 1182935008 /nfs/dbraw/zinc/93/50/08/1182935008.db2.gz OQXOQEPQNIOFFO-UHFFFAOYSA-N 2 1 341.499 2.399 10 30 EEEEMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268492928 1182991019 /nfs/dbraw/zinc/99/10/19/1182991019.db2.gz FHDMVSCSJOXBQE-GOSISDBHSA-N 2 1 348.466 2.222 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001486152000 1193702355 /nfs/dbraw/zinc/70/23/55/1193702355.db2.gz ZQXJEKWOMOXZCJ-WMLDXEAASA-N 2 1 325.884 2.194 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001486152000 1193702356 /nfs/dbraw/zinc/70/23/56/1193702356.db2.gz ZQXJEKWOMOXZCJ-WMLDXEAASA-N 2 1 325.884 2.194 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001269580268 1184407743 /nfs/dbraw/zinc/40/77/43/1184407743.db2.gz UULOVNIPMSCBEN-AYHJJNSGSA-N 2 1 337.508 2.031 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272706 1185312907 /nfs/dbraw/zinc/31/29/07/1185312907.db2.gz AOFRJYDDQFDBRN-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000382255301 1185392105 /nfs/dbraw/zinc/39/21/05/1185392105.db2.gz WBEFOFUDGQZZBD-MRXNPFEDSA-N 2 1 325.497 2.328 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000382255301 1185392111 /nfs/dbraw/zinc/39/21/11/1185392111.db2.gz WBEFOFUDGQZZBD-MRXNPFEDSA-N 2 1 325.497 2.328 10 30 EEEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482392799 1185598577 /nfs/dbraw/zinc/59/85/77/1185598577.db2.gz IZADYKBQBIARLB-IRXDYDNUSA-N 2 1 332.492 2.451 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271008482 1185807296 /nfs/dbraw/zinc/80/72/96/1185807296.db2.gz YFGDIJKJQYADLX-FQEVSTJZSA-N 2 1 333.520 2.494 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271566447 1186317362 /nfs/dbraw/zinc/31/73/62/1186317362.db2.gz OXFXFRPYMOYVGO-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001271790714 1186488651 /nfs/dbraw/zinc/48/86/51/1186488651.db2.gz PXCOXXLMVNREPQ-UHFFFAOYSA-N 2 1 330.476 2.271 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001271790714 1186488659 /nfs/dbraw/zinc/48/86/59/1186488659.db2.gz PXCOXXLMVNREPQ-UHFFFAOYSA-N 2 1 330.476 2.271 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001272178256 1187986518 /nfs/dbraw/zinc/98/65/18/1187986518.db2.gz FBUDLIASBLWJKE-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001272178256 1187986522 /nfs/dbraw/zinc/98/65/22/1187986522.db2.gz FBUDLIASBLWJKE-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001272178256 1187986524 /nfs/dbraw/zinc/98/65/24/1187986524.db2.gz FBUDLIASBLWJKE-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001272178256 1187986526 /nfs/dbraw/zinc/98/65/26/1187986526.db2.gz FBUDLIASBLWJKE-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691629573 1188878932 /nfs/dbraw/zinc/87/89/32/1188878932.db2.gz QXKQUOICNIOJKF-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001485960340 1193659644 /nfs/dbraw/zinc/65/96/44/1193659644.db2.gz DXQCWLBRYGYGCB-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483512287 1190525255 /nfs/dbraw/zinc/52/52/55/1190525255.db2.gz UZCKLDXXBHOBEI-GASCZTMLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754957 /nfs/dbraw/zinc/75/49/57/1190754957.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001272456499 1190831610 /nfs/dbraw/zinc/83/16/10/1190831610.db2.gz GILTZBBOOPFYFL-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988288 1191143954 /nfs/dbraw/zinc/14/39/54/1191143954.db2.gz VTXGDSLVUZSPFU-UYAOXDASSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001484000698 1191150535 /nfs/dbraw/zinc/15/05/35/1191150535.db2.gz IUZRFYNXSPVZCQ-RBUKOAKNSA-N 2 1 331.504 2.291 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063743 1191189595 /nfs/dbraw/zinc/18/95/95/1191189595.db2.gz GDHHMZCTYXBPKS-IBGZPJMESA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063743 1191189596 /nfs/dbraw/zinc/18/95/96/1191189596.db2.gz GDHHMZCTYXBPKS-IBGZPJMESA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063743 1191189597 /nfs/dbraw/zinc/18/95/97/1191189597.db2.gz GDHHMZCTYXBPKS-IBGZPJMESA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063743 1191189598 /nfs/dbraw/zinc/18/95/98/1191189598.db2.gz GDHHMZCTYXBPKS-IBGZPJMESA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001484394414 1191332718 /nfs/dbraw/zinc/33/27/18/1191332718.db2.gz MPZZLLFUAJADKL-CADBVGFASA-N 2 1 333.520 2.252 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727362 1191486848 /nfs/dbraw/zinc/48/68/48/1191486848.db2.gz BVHLEGMARXZEKY-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccccc2C#N)CC1 ZINC001484926843 1191573594 /nfs/dbraw/zinc/57/35/94/1191573594.db2.gz YIILOJSZDZFAPR-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001484982821 1191600933 /nfs/dbraw/zinc/60/09/33/1191600933.db2.gz NPBCCDWMEVLMOK-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001484982821 1191600934 /nfs/dbraw/zinc/60/09/34/1191600934.db2.gz NPBCCDWMEVLMOK-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001484982821 1191600937 /nfs/dbraw/zinc/60/09/37/1191600937.db2.gz NPBCCDWMEVLMOK-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230189 1191699322 /nfs/dbraw/zinc/69/93/22/1191699322.db2.gz QSJOQWUKCIKAJI-ZIAGYGMSSA-N 2 1 334.439 2.020 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001485260211 1191708898 /nfs/dbraw/zinc/70/88/98/1191708898.db2.gz IHMFYWCEXPAZQV-UHFFFAOYSA-N 2 1 334.464 2.144 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782946 1199772542 /nfs/dbraw/zinc/77/25/42/1199772542.db2.gz XAOQXPICEZTGBN-MRXNPFEDSA-N 2 1 336.867 2.237 10 30 EEEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001691726138 1204220829 /nfs/dbraw/zinc/22/08/29/1204220829.db2.gz HMCCVCCUTULYEV-MRXNPFEDSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000928654906 1206408437 /nfs/dbraw/zinc/40/84/37/1206408437.db2.gz HNPFYYXQQXUUFF-HXUWFJFHSA-N 2 1 339.483 2.255 10 30 EEEEMP N#Cc1ccc(N[C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903987794 1242886726 /nfs/dbraw/zinc/88/67/26/1242886726.db2.gz 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C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001278607069 1317347588 /nfs/dbraw/zinc/34/75/88/1317347588.db2.gz CLYLXPBLUBEOQC-GOSISDBHSA-N 2 1 345.531 2.493 10 30 EEEEMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001265182837 1322973809 /nfs/dbraw/zinc/97/38/09/1322973809.db2.gz RNZWFARNUYDCHH-AWEZNQCLSA-N 2 1 346.500 2.042 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395433 1323125966 /nfs/dbraw/zinc/12/59/66/1323125966.db2.gz XAEPCWQNIAKKFQ-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395433 1323125973 /nfs/dbraw/zinc/12/59/73/1323125973.db2.gz XAEPCWQNIAKKFQ-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526361 1323204752 /nfs/dbraw/zinc/20/47/52/1323204752.db2.gz YVMCAWQTLRLRIK-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266235157 1323819373 /nfs/dbraw/zinc/81/93/73/1323819373.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266235157 1323819381 /nfs/dbraw/zinc/81/93/81/1323819381.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266235157 1323819385 /nfs/dbraw/zinc/81/93/85/1323819385.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282782385 1325785757 /nfs/dbraw/zinc/78/57/57/1325785757.db2.gz RSSDXEOHWDRATA-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282782385 1325785760 /nfs/dbraw/zinc/78/57/60/1325785760.db2.gz RSSDXEOHWDRATA-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880037 1325820235 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2.059 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324432545 1333682373 /nfs/dbraw/zinc/68/23/73/1333682373.db2.gz XZKMRQLDPLUWHY-KZJSRBBCSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001324742027 1333750750 /nfs/dbraw/zinc/75/07/50/1333750750.db2.gz PPZCLLXNZXYVJS-AQIYZVDXSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001324742027 1333750754 /nfs/dbraw/zinc/75/07/54/1333750754.db2.gz PPZCLLXNZXYVJS-AQIYZVDXSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740661 1333951333 /nfs/dbraw/zinc/95/13/33/1333951333.db2.gz OMLBRXHEUZMZAG-BDXSIMOUSA-N 2 1 339.499 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(=C)Cl)CC1 ZINC001327456156 1334295659 /nfs/dbraw/zinc/29/56/59/1334295659.db2.gz XBXQMFGZWNLQOQ-INIZCTEOSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(=C)Cl)CC1 ZINC001327456156 1334295661 /nfs/dbraw/zinc/29/56/61/1334295661.db2.gz XBXQMFGZWNLQOQ-INIZCTEOSA-N 2 1 337.895 2.197 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001676454726 1357152817 /nfs/dbraw/zinc/15/28/17/1357152817.db2.gz JDQWENWAPFLRTA-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ccccc1 ZINC001676898013 1357236630 /nfs/dbraw/zinc/23/66/30/1357236630.db2.gz JQBLZJJVACBCDX-SLFFLAALSA-N 2 1 341.499 2.057 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001676999347 1357259485 /nfs/dbraw/zinc/25/94/85/1357259485.db2.gz TZTGIYCQZJHQII-HOTGVXAUSA-N 2 1 330.476 2.247 10 30 EEEEMP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001660628632 1354504414 /nfs/dbraw/zinc/50/44/14/1354504414.db2.gz ZVTXONYBRKJKKL-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001660628632 1354504421 /nfs/dbraw/zinc/50/44/21/1354504421.db2.gz ZVTXONYBRKJKKL-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836103 1355239661 /nfs/dbraw/zinc/23/96/61/1355239661.db2.gz PGZAJMHBRYCGCN-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836103 1355239667 /nfs/dbraw/zinc/23/96/67/1355239667.db2.gz PGZAJMHBRYCGCN-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665715376 1355371433 /nfs/dbraw/zinc/37/14/33/1355371433.db2.gz PHYQZWOELAQRSN-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665715376 1355371440 /nfs/dbraw/zinc/37/14/40/1355371440.db2.gz PHYQZWOELAQRSN-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001666218884 1355487193 /nfs/dbraw/zinc/48/71/93/1355487193.db2.gz GFNHWQRQLIJGHF-RBUKOAKNSA-N 2 1 331.504 2.245 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001668468879 1355946530 /nfs/dbraw/zinc/94/65/30/1355946530.db2.gz IUYLIRHUHOUVSV-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1CC)CCO2 ZINC001673522648 1356703402 /nfs/dbraw/zinc/70/34/02/1356703402.db2.gz RQQVQIDXEPMZOG-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1CC)CCO2 ZINC001673522648 1356703405 /nfs/dbraw/zinc/70/34/05/1356703405.db2.gz RQQVQIDXEPMZOG-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019274 1356924840 /nfs/dbraw/zinc/92/48/40/1356924840.db2.gz CAFNRNCTOYQMJZ-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019274 1356924842 /nfs/dbraw/zinc/92/48/42/1356924842.db2.gz CAFNRNCTOYQMJZ-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001675262855 1356955004 /nfs/dbraw/zinc/95/50/04/1356955004.db2.gz GXVWNDKISZOFCS-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001675262855 1356955005 /nfs/dbraw/zinc/95/50/05/1356955005.db2.gz GXVWNDKISZOFCS-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343067 1356967666 /nfs/dbraw/zinc/96/76/66/1356967666.db2.gz JDFZGKIIGLRZMW-RDTXWAMCSA-N 2 1 325.472 2.212 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962035 1404969606 /nfs/dbraw/zinc/96/96/06/1404969606.db2.gz WMEIIAFBYOKIMX-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691962035 1404969626 /nfs/dbraw/zinc/96/96/26/1404969626.db2.gz WMEIIAFBYOKIMX-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691962035 1404969640 /nfs/dbraw/zinc/96/96/40/1404969640.db2.gz WMEIIAFBYOKIMX-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914078577 794839357 /nfs/dbraw/zinc/83/93/57/794839357.db2.gz FIXFIVYPDLINIU-HDICACEKSA-N 2 1 348.535 2.093 10 30 EEEEMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438259398 1090741121 /nfs/dbraw/zinc/74/11/21/1090741121.db2.gz KUCHYNAHCUIFNH-RBUKOAKNSA-N 2 1 342.487 2.321 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001438510787 1091003367 /nfs/dbraw/zinc/00/33/67/1091003367.db2.gz AQVNBTKHANTUDE-BXWFABGCSA-N 2 1 342.487 2.130 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446396 1091208405 /nfs/dbraw/zinc/20/84/05/1091208405.db2.gz MBVPHBFNDYADAT-APWZRJJASA-N 2 1 342.487 2.415 10 30 EEEEMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439226079 1091871351 /nfs/dbraw/zinc/87/13/51/1091871351.db2.gz YZBCCZWWVOUOSU-KBPBESRZSA-N 2 1 334.489 2.088 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001440656891 1093928604 /nfs/dbraw/zinc/92/86/04/1093928604.db2.gz WYQXRGCUWJBFPP-MELADBBJSA-N 2 1 346.313 2.110 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181530 /nfs/dbraw/zinc/18/15/30/1094181530.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181532 /nfs/dbraw/zinc/18/15/32/1094181532.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181535 /nfs/dbraw/zinc/18/15/35/1094181535.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001496501694 1101095656 /nfs/dbraw/zinc/09/56/56/1101095656.db2.gz NPXLLFLTKRMXNC-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001496501694 1101095661 /nfs/dbraw/zinc/09/56/61/1101095661.db2.gz NPXLLFLTKRMXNC-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001496501694 1101095670 /nfs/dbraw/zinc/09/56/70/1101095670.db2.gz NPXLLFLTKRMXNC-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC001495938491 1101791896 /nfs/dbraw/zinc/79/18/96/1101791896.db2.gz DUZXTGFMZTVYKE-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001497207451 1102128239 /nfs/dbraw/zinc/12/82/39/1102128239.db2.gz IGRMEIZOSVUTQC-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001497207451 1102128242 /nfs/dbraw/zinc/12/82/42/1102128242.db2.gz IGRMEIZOSVUTQC-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001447773040 1103287933 /nfs/dbraw/zinc/28/79/33/1103287933.db2.gz UFGPACRRQNALDW-HNNXBMFYSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001447773040 1103287942 /nfs/dbraw/zinc/28/79/42/1103287942.db2.gz UFGPACRRQNALDW-HNNXBMFYSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001447773040 1103287949 /nfs/dbraw/zinc/28/79/49/1103287949.db2.gz UFGPACRRQNALDW-HNNXBMFYSA-N 2 1 348.516 2.383 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494146809 1103600502 /nfs/dbraw/zinc/60/05/02/1103600502.db2.gz CMMGUWKSDMPXSN-QGZVFWFLSA-N 2 1 329.488 2.371 10 30 EEEEMP C[C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480771071 1107082426 /nfs/dbraw/zinc/08/24/26/1107082426.db2.gz OMDYNPWZXKUSOA-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001498824298 1108172660 /nfs/dbraw/zinc/17/26/60/1108172660.db2.gz BRBULVPJDDMYEE-AABGKKOBSA-N 2 1 341.499 2.392 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067501 1108532105 /nfs/dbraw/zinc/53/21/05/1108532105.db2.gz WZSGRLLVBUIKGW-HOTGVXAUSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067501 1108532116 /nfs/dbraw/zinc/53/21/16/1108532116.db2.gz WZSGRLLVBUIKGW-HOTGVXAUSA-N 2 1 346.475 2.429 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001501669028 1113425305 /nfs/dbraw/zinc/42/53/05/1113425305.db2.gz YDCZGRBGIBRGDM-IBGZPJMESA-N 2 1 329.488 2.344 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC#CC)cc1 ZINC001501676336 1113429327 /nfs/dbraw/zinc/42/93/27/1113429327.db2.gz KIFNFYVSBACYSG-PXNSSMCTSA-N 2 1 337.467 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC#CC)cc1 ZINC001501676336 1113429328 /nfs/dbraw/zinc/42/93/28/1113429328.db2.gz KIFNFYVSBACYSG-PXNSSMCTSA-N 2 1 337.467 2.074 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866838 /nfs/dbraw/zinc/86/68/38/1113866838.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866840 /nfs/dbraw/zinc/86/68/40/1113866840.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866842 /nfs/dbraw/zinc/86/68/42/1113866842.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001505413851 1113947508 /nfs/dbraw/zinc/94/75/08/1113947508.db2.gz ROAZBZGKVWKVGJ-GUDVDZBRSA-N 2 1 327.472 2.419 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735009 1114158993 /nfs/dbraw/zinc/15/89/93/1114158993.db2.gz JSKJAWZKRGEWBL-KBPBESRZSA-N 2 1 334.439 2.022 10 30 EEEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001506548510 1114690606 /nfs/dbraw/zinc/69/06/06/1114690606.db2.gz JKPNVRJBDXXOQC-CRAIPNDOSA-N 2 1 325.472 2.097 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001507363536 1115223874 /nfs/dbraw/zinc/22/38/74/1115223874.db2.gz LXTOHTDLCLUUTC-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431416 1115265018 /nfs/dbraw/zinc/26/50/18/1115265018.db2.gz MPNZGRGQMDRBAN-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001568094841 1124298812 /nfs/dbraw/zinc/29/88/12/1124298812.db2.gz QKHHRZOCEJGKKU-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000601817066 469038855 /nfs/dbraw/zinc/03/88/55/469038855.db2.gz LPCQKKSUZRYGKZ-IEBWSBKVSA-N 2 1 346.519 2.333 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000663669286 471466306 /nfs/dbraw/zinc/46/63/06/471466306.db2.gz WFFLKXBIBFNMEC-ROUUACIJSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701984 472214540 /nfs/dbraw/zinc/21/45/40/472214540.db2.gz VVDRUJBKHDNFAB-TZIWHRDSSA-N 2 1 341.499 2.366 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054568 577675107 /nfs/dbraw/zinc/67/51/07/577675107.db2.gz HFWUWLCXUYGXJV-SQNIBIBYSA-N 2 1 345.874 2.299 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485656121 1191874563 /nfs/dbraw/zinc/87/45/63/1191874563.db2.gz BXILHXIBVUSRGL-OTWHNJEPSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001485768653 1191942120 /nfs/dbraw/zinc/94/21/20/1191942120.db2.gz VWEIPCBRTSMXNT-UHFFFAOYSA-N 2 1 338.455 2.223 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001272708078 1191971915 /nfs/dbraw/zinc/97/19/15/1191971915.db2.gz KRVQYJVWOBFFIC-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001272708078 1191971918 /nfs/dbraw/zinc/97/19/18/1191971918.db2.gz KRVQYJVWOBFFIC-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001691011927 1176491291 /nfs/dbraw/zinc/49/12/91/1176491291.db2.gz MMIVMYCHOXYFNQ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001691011927 1176491295 /nfs/dbraw/zinc/49/12/95/1176491295.db2.gz MMIVMYCHOXYFNQ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001691011927 1176491300 /nfs/dbraw/zinc/49/13/00/1176491300.db2.gz MMIVMYCHOXYFNQ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001691011927 1176491302 /nfs/dbraw/zinc/49/13/02/1176491302.db2.gz MMIVMYCHOXYFNQ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266939525 1177854390 /nfs/dbraw/zinc/85/43/90/1177854390.db2.gz JUEZVOPMFBPDPU-IIDMSEBBSA-N 2 1 347.890 2.126 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001691347571 1177944662 /nfs/dbraw/zinc/94/46/62/1177944662.db2.gz GVYQUKHCIBKOBU-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001267114142 1178275088 /nfs/dbraw/zinc/27/50/88/1178275088.db2.gz BUPVKOYIYHZBFE-AEFFLSMTSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947512 1178621805 /nfs/dbraw/zinc/62/18/05/1178621805.db2.gz YXLBEMQBGNIHNO-CVEARBPZSA-N 2 1 327.488 2.459 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001267371162 1178870085 /nfs/dbraw/zinc/87/00/85/1178870085.db2.gz WMIKLHGTPOZUQI-YLJYHZDGSA-N 2 1 345.462 2.279 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001267834266 1180605741 /nfs/dbraw/zinc/60/57/41/1180605741.db2.gz USFFBTDFOGJQKR-IBGZPJMESA-N 2 1 339.483 2.151 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001481346763 1181084152 /nfs/dbraw/zinc/08/41/52/1181084152.db2.gz CFAVTIINKWTUBC-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001481346763 1181084158 /nfs/dbraw/zinc/08/41/58/1181084158.db2.gz CFAVTIINKWTUBC-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001481346763 1181084164 /nfs/dbraw/zinc/08/41/64/1181084164.db2.gz CFAVTIINKWTUBC-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494581 1181562161 /nfs/dbraw/zinc/56/21/61/1181562161.db2.gz VPWDVSKEDGIQRQ-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481494581 1181562166 /nfs/dbraw/zinc/56/21/66/1181562166.db2.gz VPWDVSKEDGIQRQ-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481494581 1181562170 /nfs/dbraw/zinc/56/21/70/1181562170.db2.gz VPWDVSKEDGIQRQ-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001268222443 1182033030 /nfs/dbraw/zinc/03/30/30/1182033030.db2.gz POLSEDMXPAKCFY-KRWDZBQOSA-N 2 1 327.432 2.187 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817090 1182734784 /nfs/dbraw/zinc/73/47/84/1182734784.db2.gz SMIQXCZGIVTQRQ-RBUKOAKNSA-N 2 1 342.487 2.417 10 30 EEEEMP C[C@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268736160 1183657707 /nfs/dbraw/zinc/65/77/07/1183657707.db2.gz QNRBXWWNHIXGDO-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000329833571 1185284094 /nfs/dbraw/zinc/28/40/94/1185284094.db2.gz GMRFYRIMNJQSDB-CWLKWCNXSA-N 2 1 337.508 2.441 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701631 1185328131 /nfs/dbraw/zinc/32/81/31/1185328131.db2.gz WIKQWTJFDFEBEP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001270737544 1185355883 /nfs/dbraw/zinc/35/58/83/1185355883.db2.gz OOASCZVMVOAYDM-PZJWPPBQSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001270737544 1185355889 /nfs/dbraw/zinc/35/58/89/1185355889.db2.gz OOASCZVMVOAYDM-PZJWPPBQSA-N 2 1 343.515 2.413 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271565270 1186316018 /nfs/dbraw/zinc/31/60/18/1186316018.db2.gz CAXVLOGAMYNLNU-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC001271914582 1186617881 /nfs/dbraw/zinc/61/78/81/1186617881.db2.gz CCSREXYDJJNTEH-IBGZPJMESA-N 2 1 329.488 2.110 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001272092649 1187595437 /nfs/dbraw/zinc/59/54/37/1187595437.db2.gz GUVDTXYHFLYJIU-ICSRJNTNSA-N 2 1 341.499 2.159 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001272092649 1187595440 /nfs/dbraw/zinc/59/54/40/1187595440.db2.gz GUVDTXYHFLYJIU-ICSRJNTNSA-N 2 1 341.499 2.159 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001272092649 1187595443 /nfs/dbraw/zinc/59/54/43/1187595443.db2.gz GUVDTXYHFLYJIU-ICSRJNTNSA-N 2 1 341.499 2.159 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001272092649 1187595445 /nfs/dbraw/zinc/59/54/45/1187595445.db2.gz GUVDTXYHFLYJIU-ICSRJNTNSA-N 2 1 341.499 2.159 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482969433 1187910031 /nfs/dbraw/zinc/91/00/31/1187910031.db2.gz GTYYTVMFGJXWJN-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCn3ccnc3)CC2)C1 ZINC001670918914 1193525853 /nfs/dbraw/zinc/52/58/53/1193525853.db2.gz NQAAQNRLFNDFSI-LJQANCHMSA-N 2 1 342.487 2.247 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001272535567 1190870820 /nfs/dbraw/zinc/87/08/20/1190870820.db2.gz XSTBKLQSIZYQSW-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988287 1191143964 /nfs/dbraw/zinc/14/39/64/1191143964.db2.gz VTXGDSLVUZSPFU-QUCCMNQESA-N 2 1 343.515 2.340 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001484096830 1191209449 /nfs/dbraw/zinc/20/94/49/1191209449.db2.gz WCGDKMRVCMJGMD-IEBWSBKVSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001484096830 1191209451 /nfs/dbraw/zinc/20/94/51/1191209451.db2.gz WCGDKMRVCMJGMD-IEBWSBKVSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC/C=C/CC)C[C@@H]3C2)CC1 ZINC001484415059 1191341727 /nfs/dbraw/zinc/34/17/27/1191341727.db2.gz MSGZJGADCUZNFX-VGIQHARFSA-N 2 1 343.515 2.078 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001484470593 1191375018 /nfs/dbraw/zinc/37/50/18/1191375018.db2.gz KSLDMIOTCQNGDW-YESZJQIVSA-N 2 1 325.472 2.165 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001272684945 1191422852 /nfs/dbraw/zinc/42/28/52/1191422852.db2.gz ZQXFLQCXJPHTHP-IBGZPJMESA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC001484693184 1191469066 /nfs/dbraw/zinc/46/90/66/1191469066.db2.gz DEJWUPMLVVTNLI-RTBURBONSA-N 2 1 345.487 2.073 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081582 1191650441 /nfs/dbraw/zinc/65/04/41/1191650441.db2.gz GBAZPRALBHTHNX-HOTGVXAUSA-N 2 1 327.900 2.251 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156292 1191668276 /nfs/dbraw/zinc/66/82/76/1191668276.db2.gz GITVHTGCXKKYQF-UONOGXRCSA-N 2 1 346.450 2.164 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(Cl)cc1 ZINC001485312008 1191729187 /nfs/dbraw/zinc/72/91/87/1191729187.db2.gz CTOUDBDGNWYOKZ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(Cl)cc1 ZINC001485312008 1191729189 /nfs/dbraw/zinc/72/91/89/1191729189.db2.gz CTOUDBDGNWYOKZ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001485312008 1191729191 /nfs/dbraw/zinc/72/91/91/1191729191.db2.gz CTOUDBDGNWYOKZ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001485312008 1191729193 /nfs/dbraw/zinc/72/91/93/1191729193.db2.gz CTOUDBDGNWYOKZ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389271 1191775914 /nfs/dbraw/zinc/77/59/14/1191775914.db2.gz RZSYCIBXSXHARZ-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001485389271 1191775915 /nfs/dbraw/zinc/77/59/15/1191775915.db2.gz RZSYCIBXSXHARZ-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001485389271 1191775916 /nfs/dbraw/zinc/77/59/16/1191775916.db2.gz RZSYCIBXSXHARZ-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001485389271 1191775917 /nfs/dbraw/zinc/77/59/17/1191775917.db2.gz RZSYCIBXSXHARZ-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485468327 1191796104 /nfs/dbraw/zinc/79/61/04/1191796104.db2.gz KMSIAYCTIWHXGA-VQTJNVASSA-N 2 1 341.499 2.397 10 30 EEEEMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001411097086 1198783852 /nfs/dbraw/zinc/78/38/52/1198783852.db2.gz JFCDFURIPGEBBD-CYBMUJFWSA-N 2 1 346.313 2.063 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H]1CCc2ccccc21 ZINC001273426932 1198801910 /nfs/dbraw/zinc/80/19/10/1198801910.db2.gz CSCSBABNIMDLPJ-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H]1CCc2ccccc21 ZINC001273426932 1198801912 /nfs/dbraw/zinc/80/19/12/1198801912.db2.gz CSCSBABNIMDLPJ-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000867963505 1201716197 /nfs/dbraw/zinc/71/61/97/1201716197.db2.gz WEKZSZMSIOIINH-ZRGWGRIASA-N 2 1 340.471 2.124 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000867963505 1201716199 /nfs/dbraw/zinc/71/61/99/1201716199.db2.gz WEKZSZMSIOIINH-ZRGWGRIASA-N 2 1 340.471 2.124 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628639 /nfs/dbraw/zinc/62/86/39/1205628639.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628640 /nfs/dbraw/zinc/62/86/40/1205628640.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628642 /nfs/dbraw/zinc/62/86/42/1205628642.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628647 /nfs/dbraw/zinc/62/86/47/1205628647.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628652 /nfs/dbraw/zinc/62/86/52/1205628652.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491018311 1258574771 /nfs/dbraw/zinc/57/47/71/1258574771.db2.gz DJRNNYYUQVLKDV-OKZBNKHCSA-N 2 1 349.519 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001490594490 1291495654 /nfs/dbraw/zinc/49/56/54/1291495654.db2.gz FOXMODBNHGYOMF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001490594490 1291495658 /nfs/dbraw/zinc/49/56/58/1291495658.db2.gz FOXMODBNHGYOMF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001278200331 1306282833 /nfs/dbraw/zinc/28/28/33/1306282833.db2.gz DIDXFFLYOGLWNA-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281070284 1322179325 /nfs/dbraw/zinc/17/93/25/1322179325.db2.gz FTBBQPKVQKGFOM-VQIMIIECSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281070284 1322179329 /nfs/dbraw/zinc/17/93/29/1322179329.db2.gz FTBBQPKVQKGFOM-VQIMIIECSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281070284 1322179336 /nfs/dbraw/zinc/17/93/36/1322179336.db2.gz FTBBQPKVQKGFOM-VQIMIIECSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281070284 1322179343 /nfs/dbraw/zinc/17/93/43/1322179343.db2.gz FTBBQPKVQKGFOM-VQIMIIECSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263884456 1322547234 /nfs/dbraw/zinc/54/72/34/1322547234.db2.gz PXFXUHZNUFRQES-OTWHNJEPSA-N 2 1 329.488 2.343 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264120715 1322633223 /nfs/dbraw/zinc/63/32/23/1322633223.db2.gz PQZWYQHVKKNVKG-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398703 1323130333 /nfs/dbraw/zinc/13/03/33/1323130333.db2.gz HKGWXXAWGFSHFY-LJQANCHMSA-N 2 1 333.520 2.446 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001280340152 1324162221 /nfs/dbraw/zinc/16/22/21/1324162221.db2.gz IMVGWERJRKFZLI-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001280340152 1324162224 /nfs/dbraw/zinc/16/22/24/1324162224.db2.gz IMVGWERJRKFZLI-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001281912601 1325507129 /nfs/dbraw/zinc/50/71/29/1325507129.db2.gz PDEOJMGRHGOCAA-XFQXTVEOSA-N 2 1 327.472 2.276 10 30 EEEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001282334979 1325694193 /nfs/dbraw/zinc/69/41/93/1325694193.db2.gz KRDITAOQBGXJOM-GOSISDBHSA-N 2 1 329.488 2.387 10 30 EEEEMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282664318 1325760142 /nfs/dbraw/zinc/76/01/42/1325760142.db2.gz HNYDLYDDKGMJHK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282664318 1325760144 /nfs/dbraw/zinc/76/01/44/1325760144.db2.gz HNYDLYDDKGMJHK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282664318 1325760146 /nfs/dbraw/zinc/76/01/46/1325760146.db2.gz HNYDLYDDKGMJHK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282664318 1325760149 /nfs/dbraw/zinc/76/01/49/1325760149.db2.gz HNYDLYDDKGMJHK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001282780798 1325784306 /nfs/dbraw/zinc/78/43/06/1325784306.db2.gz FXXCOBHUJNJADJ-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001282780798 1325784308 /nfs/dbraw/zinc/78/43/08/1325784308.db2.gz FXXCOBHUJNJADJ-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001282888378 1325822932 /nfs/dbraw/zinc/82/29/32/1325822932.db2.gz KLAAZDYZKKCOHC-MKXGPGLRSA-N 2 1 333.520 2.367 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001284149076 1326435658 /nfs/dbraw/zinc/43/56/58/1326435658.db2.gz RONPUQVIUFJYFM-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001284149076 1326435662 /nfs/dbraw/zinc/43/56/62/1326435662.db2.gz RONPUQVIUFJYFM-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001284149076 1326435664 /nfs/dbraw/zinc/43/56/64/1326435664.db2.gz RONPUQVIUFJYFM-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001284149076 1326435666 /nfs/dbraw/zinc/43/56/66/1326435666.db2.gz RONPUQVIUFJYFM-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491829303 1330266598 /nfs/dbraw/zinc/26/65/98/1330266598.db2.gz IURCUNPYAFQWJX-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP CC1CC[NH+](CC(=O)NCCC[N@@H+](C)CC#Cc2ccccc2)CC1 ZINC001316856449 1331506488 /nfs/dbraw/zinc/50/64/88/1331506488.db2.gz NLOCOIAIWNFSIS-UHFFFAOYSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2cccc(F)c2)CC1 ZINC001317492556 1331699586 /nfs/dbraw/zinc/69/95/86/1331699586.db2.gz OJILIMONFKQWOY-UHFFFAOYSA-N 2 1 345.462 2.109 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317468386 1332255643 /nfs/dbraw/zinc/25/56/43/1332255643.db2.gz ZODCSPKPRJGVHC-SFHVURJKSA-N 2 1 349.906 2.326 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317468386 1332255647 /nfs/dbraw/zinc/25/56/47/1332255647.db2.gz ZODCSPKPRJGVHC-SFHVURJKSA-N 2 1 349.906 2.326 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317505665 1332270492 /nfs/dbraw/zinc/27/04/92/1332270492.db2.gz SIQVVKXPDQLXDX-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001318215681 1332489809 /nfs/dbraw/zinc/48/98/09/1332489809.db2.gz RKLVKBCTOZTPMG-OALUTQOASA-N 2 1 327.472 2.022 10 30 EEEEMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001318215681 1332489810 /nfs/dbraw/zinc/48/98/10/1332489810.db2.gz RKLVKBCTOZTPMG-OALUTQOASA-N 2 1 327.472 2.022 10 30 EEEEMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001318215681 1332489814 /nfs/dbraw/zinc/48/98/14/1332489814.db2.gz RKLVKBCTOZTPMG-OALUTQOASA-N 2 1 327.472 2.022 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001318215681 1332489815 /nfs/dbraw/zinc/48/98/15/1332489815.db2.gz RKLVKBCTOZTPMG-OALUTQOASA-N 2 1 327.472 2.022 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001328632318 1334491781 /nfs/dbraw/zinc/49/17/81/1334491781.db2.gz SJFNUIYRKDGLAK-HNNXBMFYSA-N 2 1 334.464 2.287 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329490041 1334662080 /nfs/dbraw/zinc/66/20/80/1334662080.db2.gz ZDPKRJQYGMQOPN-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114815 1335733012 /nfs/dbraw/zinc/73/30/12/1335733012.db2.gz APMUSQHNOHJEKP-PZJWPPBQSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114815 1335733014 /nfs/dbraw/zinc/73/30/14/1335733014.db2.gz APMUSQHNOHJEKP-PZJWPPBQSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114815 1335733015 /nfs/dbraw/zinc/73/30/15/1335733015.db2.gz APMUSQHNOHJEKP-PZJWPPBQSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114815 1335733016 /nfs/dbraw/zinc/73/30/16/1335733016.db2.gz APMUSQHNOHJEKP-PZJWPPBQSA-N 2 1 339.483 2.255 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC001675964490 1357078665 /nfs/dbraw/zinc/07/86/65/1357078665.db2.gz QBUMPRNEMIFAOU-QZTJIDSGSA-N 2 1 336.524 2.421 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001567662984 1342808213 /nfs/dbraw/zinc/80/82/13/1342808213.db2.gz KXSYJUKBANGMCE-NRFANRHFSA-N 2 1 349.478 2.437 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220923 1343035878 /nfs/dbraw/zinc/03/58/78/1343035878.db2.gz YGUSOVXVMRKPTE-OALUTQOASA-N 2 1 345.531 2.302 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480450 1357155545 /nfs/dbraw/zinc/15/55/45/1357155545.db2.gz BNPVHVIWPZCEQE-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878630 1357230360 /nfs/dbraw/zinc/23/03/60/1357230360.db2.gz ISQSYOCGEIEAPS-ROUUACIJSA-N 2 1 336.524 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878630 1357230364 /nfs/dbraw/zinc/23/03/64/1357230364.db2.gz ISQSYOCGEIEAPS-ROUUACIJSA-N 2 1 336.524 2.140 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001641479341 1352721721 /nfs/dbraw/zinc/72/17/21/1352721721.db2.gz YKTPYQPISOPFRI-LJQANCHMSA-N 2 1 329.488 2.473 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001656571859 1354249043 /nfs/dbraw/zinc/24/90/43/1354249043.db2.gz VZEWMYYCZDEPHA-GJYPPUQNSA-N 2 1 337.483 2.049 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001660464060 1354468818 /nfs/dbraw/zinc/46/88/18/1354468818.db2.gz JFCYSQWUOSZSGC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([N@H+](C)CC)C1)C(C)C ZINC001665702009 1355364533 /nfs/dbraw/zinc/36/45/33/1355364533.db2.gz ULYOFMJEHLLNNZ-ZWKOTPCHSA-N 2 1 336.524 2.421 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001668066170 1355861474 /nfs/dbraw/zinc/86/14/74/1355861474.db2.gz VLCTUNQFSYMGSZ-MELADBBJSA-N 2 1 346.313 2.110 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001668455314 1355944841 /nfs/dbraw/zinc/94/48/41/1355944841.db2.gz JIUZFVJMQOYVPG-HNNXBMFYSA-N 2 1 348.516 2.432 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)C[N@@H+](C)C1CCC1 ZINC001670127373 1356281113 /nfs/dbraw/zinc/28/11/13/1356281113.db2.gz BRYRKLAAEHXCAB-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145441 1356797393 /nfs/dbraw/zinc/79/73/93/1356797393.db2.gz JAMNTKYQLBGGAE-RBUKOAKNSA-N 2 1 346.519 2.082 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145441 1356797394 /nfs/dbraw/zinc/79/73/94/1356797394.db2.gz JAMNTKYQLBGGAE-RBUKOAKNSA-N 2 1 346.519 2.082 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943308 1356914220 /nfs/dbraw/zinc/91/42/20/1356914220.db2.gz KDJXOXYSZUTQGR-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943308 1356914221 /nfs/dbraw/zinc/91/42/21/1356914221.db2.gz KDJXOXYSZUTQGR-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001674943308 1356914223 /nfs/dbraw/zinc/91/42/23/1356914223.db2.gz KDJXOXYSZUTQGR-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674943308 1356914224 /nfs/dbraw/zinc/91/42/24/1356914224.db2.gz KDJXOXYSZUTQGR-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCc1ccccc1 ZINC001674943764 1356914522 /nfs/dbraw/zinc/91/45/22/1356914522.db2.gz ODRXRMRNQNSQCP-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCc1ccccc1 ZINC001674943764 1356914525 /nfs/dbraw/zinc/91/45/25/1356914525.db2.gz ODRXRMRNQNSQCP-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC001674943764 1356914527 /nfs/dbraw/zinc/91/45/27/1356914527.db2.gz ODRXRMRNQNSQCP-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCc1ccccc1 ZINC001674943764 1356914530 /nfs/dbraw/zinc/91/45/30/1356914530.db2.gz ODRXRMRNQNSQCP-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001675425848 1356978589 /nfs/dbraw/zinc/97/85/89/1356978589.db2.gz HEXXIELLFAFTTE-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)C(C)C ZINC001681567419 1358033362 /nfs/dbraw/zinc/03/33/62/1358033362.db2.gz FAQWKOOOTHBNKL-NCXUSEDFSA-N 2 1 348.535 2.324 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)CCC[NH+](C)C ZINC001698996090 1405210343 /nfs/dbraw/zinc/21/03/43/1405210343.db2.gz QSBFNNHAQYLBTC-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)CCC[NH+](C)C ZINC001698996090 1405210347 /nfs/dbraw/zinc/21/03/47/1405210347.db2.gz QSBFNNHAQYLBTC-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC1(C)C ZINC000940807147 779317312 /nfs/dbraw/zinc/31/73/12/779317312.db2.gz HXFQCDGAHQOTQF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC1(C)C ZINC000940807147 779317313 /nfs/dbraw/zinc/31/73/13/779317313.db2.gz HXFQCDGAHQOTQF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC000940807147 779317315 /nfs/dbraw/zinc/31/73/15/779317315.db2.gz HXFQCDGAHQOTQF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC000940807147 779317316 /nfs/dbraw/zinc/31/73/16/779317316.db2.gz HXFQCDGAHQOTQF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922627240 801543338 /nfs/dbraw/zinc/54/33/38/801543338.db2.gz KXLBAEQANMSZAK-UHFFFAOYSA-N 2 1 334.508 2.038 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001566074522 1125546518 /nfs/dbraw/zinc/54/65/18/1125546518.db2.gz KFWNCXQUKJOVHV-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001437311875 1089469998 /nfs/dbraw/zinc/46/99/98/1089469998.db2.gz NEMMUTVRXTZLBJ-CVEARBPZSA-N 2 1 327.900 2.440 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601522 1096970861 /nfs/dbraw/zinc/97/08/61/1096970861.db2.gz HLFYTWPBXXTLNE-GASCZTMLSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601522 1096970868 /nfs/dbraw/zinc/97/08/68/1096970868.db2.gz HLFYTWPBXXTLNE-GASCZTMLSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601522 1096970874 /nfs/dbraw/zinc/97/08/74/1096970874.db2.gz HLFYTWPBXXTLNE-GASCZTMLSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001443242476 1097712159 /nfs/dbraw/zinc/71/21/59/1097712159.db2.gz JCJLMROGDAKWJJ-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001443242476 1097712165 /nfs/dbraw/zinc/71/21/65/1097712165.db2.gz JCJLMROGDAKWJJ-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001443242476 1097712171 /nfs/dbraw/zinc/71/21/71/1097712171.db2.gz JCJLMROGDAKWJJ-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640755 /nfs/dbraw/zinc/64/07/55/1098640755.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640759 /nfs/dbraw/zinc/64/07/59/1098640759.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640763 /nfs/dbraw/zinc/64/07/63/1098640763.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001479737363 1098849592 /nfs/dbraw/zinc/84/95/92/1098849592.db2.gz MWVZABYJGDFMMT-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001479737363 1098849599 /nfs/dbraw/zinc/84/95/99/1098849599.db2.gz MWVZABYJGDFMMT-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479835163 1099118162 /nfs/dbraw/zinc/11/81/62/1099118162.db2.gz UTLDDNJQRFZFOK-AEFFLSMTSA-N 2 1 330.476 2.354 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001494021136 1103366047 /nfs/dbraw/zinc/36/60/47/1103366047.db2.gz KLQUIHNLMUIIEH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001494021136 1103366056 /nfs/dbraw/zinc/36/60/56/1103366056.db2.gz KLQUIHNLMUIIEH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001494021136 1103366062 /nfs/dbraw/zinc/36/60/62/1103366062.db2.gz KLQUIHNLMUIIEH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001494021136 1103366067 /nfs/dbraw/zinc/36/60/67/1103366067.db2.gz KLQUIHNLMUIIEH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001494022913 1103371626 /nfs/dbraw/zinc/37/16/26/1103371626.db2.gz YZQSPUIYFDKDHI-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001494022913 1103371637 /nfs/dbraw/zinc/37/16/37/1103371637.db2.gz YZQSPUIYFDKDHI-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001494022913 1103371648 /nfs/dbraw/zinc/37/16/48/1103371648.db2.gz YZQSPUIYFDKDHI-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001494022913 1103371660 /nfs/dbraw/zinc/37/16/60/1103371660.db2.gz YZQSPUIYFDKDHI-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060659 1103917921 /nfs/dbraw/zinc/91/79/21/1103917921.db2.gz JKFCJXGJDFIYSU-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060659 1103917928 /nfs/dbraw/zinc/91/79/28/1103917928.db2.gz JKFCJXGJDFIYSU-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060659 1103917940 /nfs/dbraw/zinc/91/79/40/1103917940.db2.gz JKFCJXGJDFIYSU-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498505946 1107649045 /nfs/dbraw/zinc/64/90/45/1107649045.db2.gz VOAJEOHSEAMLMO-RTBURBONSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498505946 1107649048 /nfs/dbraw/zinc/64/90/48/1107649048.db2.gz VOAJEOHSEAMLMO-RTBURBONSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001493576657 1108345566 /nfs/dbraw/zinc/34/55/66/1108345566.db2.gz DDWVLFAHMIIUDW-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001493576657 1108345577 /nfs/dbraw/zinc/34/55/77/1108345577.db2.gz DDWVLFAHMIIUDW-KDOFPFPSSA-N 2 1 349.425 2.171 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001499492268 1112320593 /nfs/dbraw/zinc/32/05/93/1112320593.db2.gz UREUONWSIJJXMQ-MSRNWOCLSA-N 2 1 331.504 2.386 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001499997930 1112571728 /nfs/dbraw/zinc/57/17/28/1112571728.db2.gz XLJBLCZJFURCHX-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001500007439 1112577284 /nfs/dbraw/zinc/57/72/84/1112577284.db2.gz RQUNWJFOKPIRDB-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001500007439 1112577285 /nfs/dbraw/zinc/57/72/85/1112577285.db2.gz RQUNWJFOKPIRDB-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001501671274 1113426329 /nfs/dbraw/zinc/42/63/29/1113426329.db2.gz WKTGHZVAJJPWCV-IAGOWNOFSA-N 2 1 327.472 2.241 10 30 EEEEMP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccccc2C#N)CC1 ZINC001508227951 1115453067 /nfs/dbraw/zinc/45/30/67/1115453067.db2.gz SJXKHTLVTTWYBI-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccccc2C#N)CC1 ZINC001508227951 1115453073 /nfs/dbraw/zinc/45/30/73/1115453073.db2.gz SJXKHTLVTTWYBI-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC001508227951 1115453074 /nfs/dbraw/zinc/45/30/74/1115453074.db2.gz SJXKHTLVTTWYBI-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001508227951 1115453077 /nfs/dbraw/zinc/45/30/77/1115453077.db2.gz SJXKHTLVTTWYBI-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220031 1124363655 /nfs/dbraw/zinc/36/36/55/1124363655.db2.gz IHEVUZLGSGTWDB-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001568220031 1124363661 /nfs/dbraw/zinc/36/36/61/1124363661.db2.gz IHEVUZLGSGTWDB-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001568220031 1124363667 /nfs/dbraw/zinc/36/36/67/1124363667.db2.gz IHEVUZLGSGTWDB-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001569170132 1125143087 /nfs/dbraw/zinc/14/30/87/1125143087.db2.gz RCPAXNLYLGLKRV-WOJBJXKFSA-N 2 1 341.499 2.059 10 30 EEEEMP OCC[C@@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342055042 539830668 /nfs/dbraw/zinc/83/06/68/539830668.db2.gz YEPOSCIYXGKHRD-PMACEKPBSA-N 2 1 336.520 2.244 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000174876452 464463110 /nfs/dbraw/zinc/46/31/10/464463110.db2.gz WWPBXFMSCGBVQH-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000174876452 464463114 /nfs/dbraw/zinc/46/31/14/464463114.db2.gz WWPBXFMSCGBVQH-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C#N)CCCC3)CC2)CC1 ZINC000594375866 468566553 /nfs/dbraw/zinc/56/65/53/468566553.db2.gz JIFOKHPHAKCYEW-UHFFFAOYSA-N 2 1 346.519 2.383 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000594424659 468582843 /nfs/dbraw/zinc/58/28/43/468582843.db2.gz HMGQCXLYMMTVKL-GOSISDBHSA-N 2 1 328.460 2.132 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597943137 468720375 /nfs/dbraw/zinc/72/03/75/468720375.db2.gz VHRRQSUOAXXMFU-ZYSHUDEJSA-N 2 1 342.487 2.050 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597943137 468720376 /nfs/dbraw/zinc/72/03/76/468720376.db2.gz VHRRQSUOAXXMFU-ZYSHUDEJSA-N 2 1 342.487 2.050 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSc1ccc(C#N)cc1 ZINC000597942750 468720436 /nfs/dbraw/zinc/72/04/36/468720436.db2.gz MXKOLUJBUQVMFU-HNNXBMFYSA-N 2 1 348.516 2.039 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSc1ccc(C#N)cc1 ZINC000597942750 468720440 /nfs/dbraw/zinc/72/04/40/468720440.db2.gz MXKOLUJBUQVMFU-HNNXBMFYSA-N 2 1 348.516 2.039 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C[C@H](C)C#N)C3CC3)CC2)CC1 ZINC000563638040 469243682 /nfs/dbraw/zinc/24/36/82/469243682.db2.gz RWXIIWJTYCBFPO-MRXNPFEDSA-N 2 1 346.519 2.333 10 30 EEEEMP C[NH+]=C(NCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000089070511 692524473 /nfs/dbraw/zinc/52/44/73/692524473.db2.gz BYZUVIFJBGCYCB-GOOCMWNKSA-N 2 1 335.521 2.440 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001670479388 1176826500 /nfs/dbraw/zinc/82/65/00/1176826500.db2.gz IJCLZEAUALRPQR-MOPGFXCFSA-N 2 1 343.515 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001670479388 1176826508 /nfs/dbraw/zinc/82/65/08/1176826508.db2.gz IJCLZEAUALRPQR-MOPGFXCFSA-N 2 1 343.515 2.149 10 30 EEEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001692161507 1178008619 /nfs/dbraw/zinc/00/86/19/1178008619.db2.gz IIXGOCQRXISFAD-LJQANCHMSA-N 2 1 339.499 2.441 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267570794 1179425428 /nfs/dbraw/zinc/42/54/28/1179425428.db2.gz SKXZNQNRMWOUCY-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CCN(C)CC#Cc1ccccc1Cl ZINC001268254806 1182085320 /nfs/dbraw/zinc/08/53/20/1182085320.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccccc1Cl ZINC001268254806 1182085323 /nfs/dbraw/zinc/08/53/23/1182085323.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccccc1Cl ZINC001268254806 1182085327 /nfs/dbraw/zinc/08/53/27/1182085327.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1Cl ZINC001268254806 1182085330 /nfs/dbraw/zinc/08/53/30/1182085330.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001268254806 1182085335 /nfs/dbraw/zinc/08/53/35/1182085335.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001482041985 1183212623 /nfs/dbraw/zinc/21/26/23/1183212623.db2.gz AFQSKJCZCATUNO-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001482041985 1183212628 /nfs/dbraw/zinc/21/26/28/1183212628.db2.gz AFQSKJCZCATUNO-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270295503 1184993890 /nfs/dbraw/zinc/99/38/90/1184993890.db2.gz ATEYGGHHUXVEHH-TVPLGVNVSA-N 2 1 331.504 2.053 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482329399 1185411137 /nfs/dbraw/zinc/41/11/37/1185411137.db2.gz BBAJDJUQIKRBTL-ZDUSSCGKSA-N 2 1 340.855 2.073 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001279112511 1185433177 /nfs/dbraw/zinc/43/31/77/1185433177.db2.gz IVBXBLSGWVDRAN-SJORKVTESA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001271335462 1186145962 /nfs/dbraw/zinc/14/59/62/1186145962.db2.gz VICKCUANOXXTAW-IPMKNSEASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001271806283 1186504464 /nfs/dbraw/zinc/50/44/64/1186504464.db2.gz LCQYKPBXEAOLCH-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001670947536 1193531098 /nfs/dbraw/zinc/53/10/98/1193531098.db2.gz WXUKUFLGVHFEHW-IPQPSQTFSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001670947536 1193531102 /nfs/dbraw/zinc/53/11/02/1193531102.db2.gz WXUKUFLGVHFEHW-IPQPSQTFSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001670973752 1193536551 /nfs/dbraw/zinc/53/65/51/1193536551.db2.gz FQUGQFFVQASZOU-LJQANCHMSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483159344 1188966624 /nfs/dbraw/zinc/96/66/24/1188966624.db2.gz FOFASFSSUIJZNR-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483226751 1189478965 /nfs/dbraw/zinc/47/89/65/1189478965.db2.gz HYEFHUKMZPWXCW-XJKSGUPXSA-N 2 1 334.489 2.087 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001483743600 1190895500 /nfs/dbraw/zinc/89/55/00/1190895500.db2.gz XSBMKYATSRBRCH-MJGOQNOKSA-N 2 1 339.483 2.392 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001483743600 1190895504 /nfs/dbraw/zinc/89/55/04/1190895504.db2.gz XSBMKYATSRBRCH-MJGOQNOKSA-N 2 1 339.483 2.392 10 30 EEEEMP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001483988467 1191143867 /nfs/dbraw/zinc/14/38/67/1191143867.db2.gz CFDBKGMRZVIFFF-UHFFFAOYSA-N 2 1 339.911 2.397 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001484391009 1191325517 /nfs/dbraw/zinc/32/55/17/1191325517.db2.gz HHQBUQRMJKPLEZ-IEWDOMPSSA-N 2 1 331.504 2.242 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001484982843 1191601105 /nfs/dbraw/zinc/60/11/05/1191601105.db2.gz NWEYACHNWRMWDO-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001484982843 1191601107 /nfs/dbraw/zinc/60/11/07/1191601107.db2.gz NWEYACHNWRMWDO-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273019249 1194326090 /nfs/dbraw/zinc/32/60/90/1194326090.db2.gz TYHBXOBYEMDAHR-LSDHHAIUSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785681 1197903224 /nfs/dbraw/zinc/90/32/24/1197903224.db2.gz LWYOIVNYXNWMKJ-WZYMTQMTSA-N 2 1 336.480 2.171 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785681 1197903229 /nfs/dbraw/zinc/90/32/29/1197903229.db2.gz LWYOIVNYXNWMKJ-WZYMTQMTSA-N 2 1 336.480 2.171 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741328 1199750920 /nfs/dbraw/zinc/75/09/20/1199750920.db2.gz QMUWJAXZAMDKPY-DLBZAZTESA-N 2 1 335.879 2.137 10 30 EEEEMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000867965470 1201716541 /nfs/dbraw/zinc/71/65/41/1201716541.db2.gz CFEZWDQKMOWHNZ-LJQANCHMSA-N 2 1 332.407 2.029 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001274363368 1205008694 /nfs/dbraw/zinc/00/86/94/1205008694.db2.gz LZVJGWJVCYVUAS-LJQANCHMSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCC1([NH2+]CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CCC1 ZINC000933302909 1207755638 /nfs/dbraw/zinc/75/56/38/1207755638.db2.gz ZYZYPAREFGORKM-GOSISDBHSA-N 2 1 339.483 2.427 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000900369728 1234281797 /nfs/dbraw/zinc/28/17/97/1234281797.db2.gz VVMAFVYUOUYSGU-QGZVFWFLSA-N 2 1 345.487 2.031 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000900369728 1234281799 /nfs/dbraw/zinc/28/17/99/1234281799.db2.gz VVMAFVYUOUYSGU-QGZVFWFLSA-N 2 1 345.487 2.031 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001491113271 1258691483 /nfs/dbraw/zinc/69/14/83/1258691483.db2.gz DTYNDVKTVGBLJQ-SFHVURJKSA-N 2 1 333.520 2.350 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001491222907 1258802770 /nfs/dbraw/zinc/80/27/70/1258802770.db2.gz SSQNJJCGVMZXKU-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001491222907 1258802778 /nfs/dbraw/zinc/80/27/78/1258802778.db2.gz SSQNJJCGVMZXKU-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001491222907 1258802789 /nfs/dbraw/zinc/80/27/89/1258802789.db2.gz SSQNJJCGVMZXKU-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498236 /nfs/dbraw/zinc/49/82/36/1290498236.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498240 /nfs/dbraw/zinc/49/82/40/1290498240.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498244 /nfs/dbraw/zinc/49/82/44/1290498244.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490594683 1291495905 /nfs/dbraw/zinc/49/59/05/1291495905.db2.gz HUBJBNVCDCAEFT-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001276921840 1300274017 /nfs/dbraw/zinc/27/40/17/1300274017.db2.gz PFBIDKMYLKZBOQ-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001278685160 1317707874 /nfs/dbraw/zinc/70/78/74/1317707874.db2.gz SXPXJTLLPRSUKI-ZWKOTPCHSA-N 2 1 327.472 2.139 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001279031838 1319039046 /nfs/dbraw/zinc/03/90/46/1319039046.db2.gz SCWVNUHZWWWSJE-HZPDHXFCSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001264120063 1322632657 /nfs/dbraw/zinc/63/26/57/1322632657.db2.gz BQLKVOVRQDXREF-OAHLLOKOSA-N 2 1 334.464 2.287 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001265682297 1323318258 /nfs/dbraw/zinc/31/82/58/1323318258.db2.gz PAEGPPQYMNMEAU-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266241899 1323830637 /nfs/dbraw/zinc/83/06/37/1323830637.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266241899 1323830642 /nfs/dbraw/zinc/83/06/42/1323830642.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266241899 1323830648 /nfs/dbraw/zinc/83/06/48/1323830648.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001279231303 1323854061 /nfs/dbraw/zinc/85/40/61/1323854061.db2.gz YYTNUNZNFKRNBQ-BCDXTJNWSA-N 2 1 331.504 2.243 10 30 EEEEMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282191164 1325646965 /nfs/dbraw/zinc/64/69/65/1325646965.db2.gz GNUFXLIHRKYLLQ-MSOLQXFVSA-N 2 1 343.515 2.499 10 30 EEEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283503801 1326102636 /nfs/dbraw/zinc/10/26/36/1326102636.db2.gz WUUDEHQKRWVEDT-PKOBYXMFSA-N 2 1 331.504 2.101 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC001283925106 1326322478 /nfs/dbraw/zinc/32/24/78/1326322478.db2.gz BZWLZIDWVSDLRK-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284147976 1326434748 /nfs/dbraw/zinc/43/47/48/1326434748.db2.gz CCPYBDOZPGOBJP-UXHICEINSA-N 2 1 341.499 2.201 10 30 EEEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001491951400 1330343468 /nfs/dbraw/zinc/34/34/68/1330343468.db2.gz IBHRXNWEJACPCD-INIZCTEOSA-N 2 1 346.475 2.383 10 30 EEEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001491951400 1330343471 /nfs/dbraw/zinc/34/34/71/1330343471.db2.gz IBHRXNWEJACPCD-INIZCTEOSA-N 2 1 346.475 2.383 10 30 EEEEMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001316830788 1331920739 /nfs/dbraw/zinc/92/07/39/1331920739.db2.gz QXOIGGBIZWKTRI-IBGZPJMESA-N 2 1 347.478 2.202 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C/CC)CC1 ZINC001317514109 1332276388 /nfs/dbraw/zinc/27/63/88/1332276388.db2.gz UCMSHMFOBPZYBU-UEKDZROGSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC001318538722 1332557397 /nfs/dbraw/zinc/55/73/97/1332557397.db2.gz WUABEZXCZIUXES-MSOLQXFVSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC001318538722 1332557400 /nfs/dbraw/zinc/55/74/00/1332557400.db2.gz WUABEZXCZIUXES-MSOLQXFVSA-N 2 1 347.890 2.422 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001323706178 1333521192 /nfs/dbraw/zinc/52/11/92/1333521192.db2.gz YJZINKVWIMMJBT-QYZOEREBSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001323706178 1333521198 /nfs/dbraw/zinc/52/11/98/1333521198.db2.gz YJZINKVWIMMJBT-QYZOEREBSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001323706178 1333521200 /nfs/dbraw/zinc/52/12/00/1333521200.db2.gz YJZINKVWIMMJBT-QYZOEREBSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001324354507 1333664465 /nfs/dbraw/zinc/66/44/65/1333664465.db2.gz VVHCLXMPCWNZSC-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001324354507 1333664470 /nfs/dbraw/zinc/66/44/70/1333664470.db2.gz VVHCLXMPCWNZSC-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001324518292 1333700554 /nfs/dbraw/zinc/70/05/54/1333700554.db2.gz RRAORVDBPUMOOL-LJQANCHMSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC001324518292 1333700556 /nfs/dbraw/zinc/70/05/56/1333700556.db2.gz RRAORVDBPUMOOL-LJQANCHMSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001324835015 1333770018 /nfs/dbraw/zinc/77/00/18/1333770018.db2.gz VNEKELCHDCYHOW-AZUAARDMSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001325655625 1333933985 /nfs/dbraw/zinc/93/39/85/1333933985.db2.gz HEYWYYPGGIBANC-FHWLQOOXSA-N 2 1 333.520 2.395 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805258 1334524949 /nfs/dbraw/zinc/52/49/49/1334524949.db2.gz DRGVIJZEYWKZRG-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331289958 1334991326 /nfs/dbraw/zinc/99/13/26/1334991326.db2.gz OMOFFJPLVZDUSS-OALUTQOASA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001566900732 1342648525 /nfs/dbraw/zinc/64/85/25/1342648525.db2.gz ZJEVIXWHWFRKBC-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001676243248 1357125441 /nfs/dbraw/zinc/12/54/41/1357125441.db2.gz AYJOIZINNBIBKW-WMZOPIPTSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001677462331 1357335026 /nfs/dbraw/zinc/33/50/26/1357335026.db2.gz DMDUXMUJOGURKB-MRXNPFEDSA-N 2 1 342.487 2.391 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1C#N ZINC001660627981 1354503472 /nfs/dbraw/zinc/50/34/72/1354503472.db2.gz IPWYSKRSOWPHGO-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662675436 1354824220 /nfs/dbraw/zinc/82/42/20/1354824220.db2.gz LXDFMISBOMTBOZ-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001669664094 1356191116 /nfs/dbraw/zinc/19/11/16/1356191116.db2.gz CKKDTGDHUWQBQV-CVEARBPZSA-N 2 1 347.890 2.128 10 30 EEEEMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001672355827 1356507763 /nfs/dbraw/zinc/50/77/63/1356507763.db2.gz HRSBWFDUNDIWAD-REPLKXPHSA-N 2 1 342.487 2.354 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001672355827 1356507765 /nfs/dbraw/zinc/50/77/65/1356507765.db2.gz HRSBWFDUNDIWAD-REPLKXPHSA-N 2 1 342.487 2.354 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001675707640 1357041493 /nfs/dbraw/zinc/04/14/93/1357041493.db2.gz LSPIUQYZJHWNNM-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792019 1405067079 /nfs/dbraw/zinc/06/70/79/1405067079.db2.gz JDKPIRNFNANELY-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698792019 1405067087 /nfs/dbraw/zinc/06/70/87/1405067087.db2.gz JDKPIRNFNANELY-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001698792019 1405067094 /nfs/dbraw/zinc/06/70/94/1405067094.db2.gz JDKPIRNFNANELY-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026717 779736011 /nfs/dbraw/zinc/73/60/11/779736011.db2.gz MRUFFNPVGBSOMI-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026717 779736017 /nfs/dbraw/zinc/73/60/17/779736017.db2.gz MRUFFNPVGBSOMI-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026717 779736022 /nfs/dbraw/zinc/73/60/22/779736022.db2.gz MRUFFNPVGBSOMI-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000906451246 783922995 /nfs/dbraw/zinc/92/29/95/783922995.db2.gz CDJLWUSGQHJPGC-GOSISDBHSA-N 2 1 347.890 2.499 10 30 EEEEMP C#CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914099939 794873460 /nfs/dbraw/zinc/87/34/60/794873460.db2.gz NUJLVFVBPGRJGI-SFHVURJKSA-N 2 1 348.535 2.238 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310935 1090789355 /nfs/dbraw/zinc/78/93/55/1090789355.db2.gz NCTSQWADWLEMBX-RBUKOAKNSA-N 2 1 342.487 2.417 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001438430192 1090928817 /nfs/dbraw/zinc/92/88/17/1090928817.db2.gz ZNTQHCIVIXOEMU-HXUWFJFHSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796691 1094038581 /nfs/dbraw/zinc/03/85/81/1094038581.db2.gz KZCPZVOOYMYEPA-STQMWFEESA-N 2 1 334.489 2.087 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440800702 1094044567 /nfs/dbraw/zinc/04/45/67/1094044567.db2.gz RFGHOQFILQEIQS-LSDHHAIUSA-N 2 1 328.460 2.025 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001449053557 1094069298 /nfs/dbraw/zinc/06/92/98/1094069298.db2.gz YCTJAOHVZNGMLE-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001449053557 1094069305 /nfs/dbraw/zinc/06/93/05/1094069305.db2.gz YCTJAOHVZNGMLE-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001479668561 1098714180 /nfs/dbraw/zinc/71/41/80/1098714180.db2.gz HCTVQUVYEDYRHU-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001479668561 1098714190 /nfs/dbraw/zinc/71/41/90/1098714190.db2.gz HCTVQUVYEDYRHU-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001479668561 1098714208 /nfs/dbraw/zinc/71/42/08/1098714208.db2.gz HCTVQUVYEDYRHU-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480368545 1100144692 /nfs/dbraw/zinc/14/46/92/1100144692.db2.gz ZXOBRBGAULGOAI-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458392 1100263585 /nfs/dbraw/zinc/26/35/85/1100263585.db2.gz DDRUYBCSUBSFFN-KDOFPFPSSA-N 2 1 346.450 2.164 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC001496718377 1101331710 /nfs/dbraw/zinc/33/17/10/1101331710.db2.gz NOZGDSXLNKPEFP-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC001496718377 1101331738 /nfs/dbraw/zinc/33/17/38/1101331738.db2.gz NOZGDSXLNKPEFP-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(Cl)c1 ZINC001496718377 1101331750 /nfs/dbraw/zinc/33/17/50/1101331750.db2.gz NOZGDSXLNKPEFP-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(Cl)c1 ZINC001496718377 1101331762 /nfs/dbraw/zinc/33/17/62/1101331762.db2.gz NOZGDSXLNKPEFP-SFHVURJKSA-N 2 1 347.890 2.328 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1=CCCCC1 ZINC001496719172 1101334874 /nfs/dbraw/zinc/33/48/74/1101334874.db2.gz ZIDQHIFLADBZHO-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1=CCCCC1 ZINC001496719172 1101334887 /nfs/dbraw/zinc/33/48/87/1101334887.db2.gz ZIDQHIFLADBZHO-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001496719172 1101334897 /nfs/dbraw/zinc/33/48/97/1101334897.db2.gz ZIDQHIFLADBZHO-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001496719172 1101334910 /nfs/dbraw/zinc/33/49/10/1101334910.db2.gz ZIDQHIFLADBZHO-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184522 1102089212 /nfs/dbraw/zinc/08/92/12/1102089212.db2.gz AHZWKIYANHJAPW-UYAOXDASSA-N 2 1 341.499 2.395 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC001493877243 1103018725 /nfs/dbraw/zinc/01/87/25/1103018725.db2.gz SDJOEZFNQNAEEY-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082374 1103494973 /nfs/dbraw/zinc/49/49/73/1103494973.db2.gz FDICQXBVKSLGPF-RTBURBONSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494158498 1103619187 /nfs/dbraw/zinc/61/91/87/1103619187.db2.gz AWUDAMIEVPNCAO-IBGZPJMESA-N 2 1 341.499 2.208 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197828 1107066216 /nfs/dbraw/zinc/06/62/16/1107066216.db2.gz WWKVENXRWFNZHD-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067503 1108532492 /nfs/dbraw/zinc/53/24/92/1108532492.db2.gz WZSGRLLVBUIKGW-HZPDHXFCSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067503 1108532501 /nfs/dbraw/zinc/53/25/01/1108532501.db2.gz WZSGRLLVBUIKGW-HZPDHXFCSA-N 2 1 346.475 2.429 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001465647414 1110421151 /nfs/dbraw/zinc/42/11/51/1110421151.db2.gz GRPDXKUQOMQOMV-MHJFOBGBSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001465647414 1110421152 /nfs/dbraw/zinc/42/11/52/1110421152.db2.gz GRPDXKUQOMQOMV-MHJFOBGBSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001479369387 1110687586 /nfs/dbraw/zinc/68/75/86/1110687586.db2.gz RSULPCLPMPZWEG-KZNAEPCWSA-N 2 1 331.504 2.149 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001500573558 1112950142 /nfs/dbraw/zinc/95/01/42/1112950142.db2.gz FIKZNQKBAKOMQJ-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001501698263 1113440389 /nfs/dbraw/zinc/44/03/89/1113440389.db2.gz JARRTFLCXVWCIT-CADBVGFASA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001502459959 1113692082 /nfs/dbraw/zinc/69/20/82/1113692082.db2.gz MTXNIERIPJCXRN-ZWKOTPCHSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001502459959 1113692084 /nfs/dbraw/zinc/69/20/84/1113692084.db2.gz MTXNIERIPJCXRN-ZWKOTPCHSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001503263410 1113882755 /nfs/dbraw/zinc/88/27/55/1113882755.db2.gz NKHXYCIXCCWQMZ-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001503263410 1113882760 /nfs/dbraw/zinc/88/27/60/1113882760.db2.gz NKHXYCIXCCWQMZ-BXWFABGCSA-N 2 1 345.462 2.469 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001505436995 1113970338 /nfs/dbraw/zinc/97/03/38/1113970338.db2.gz JDOAYRHFNMCGTF-OAHLLOKOSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001505436995 1113970341 /nfs/dbraw/zinc/97/03/41/1113970341.db2.gz JDOAYRHFNMCGTF-OAHLLOKOSA-N 2 1 334.464 2.239 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001506861657 1114927986 /nfs/dbraw/zinc/92/79/86/1114927986.db2.gz WGMRPFPIWVDVEI-JYJNAYRXSA-N 2 1 339.911 2.440 10 30 EEEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001507390017 1115247151 /nfs/dbraw/zinc/24/71/51/1115247151.db2.gz QZZFUOQFKRAIII-BHIYHBOVSA-N 2 1 329.488 2.220 10 30 EEEEMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCC[NH+]1C ZINC000329166355 465254599 /nfs/dbraw/zinc/25/45/99/465254599.db2.gz HSBLTSTYTDXLHW-BMGDILEWSA-N 2 1 345.491 2.386 10 30 EEEEMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)CCC[N@@H+]1C ZINC000329166355 465254601 /nfs/dbraw/zinc/25/46/01/465254601.db2.gz HSBLTSTYTDXLHW-BMGDILEWSA-N 2 1 345.491 2.386 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000178300574 463876806 /nfs/dbraw/zinc/87/68/06/463876806.db2.gz FPMYORCUYOQXQK-QGZVFWFLSA-N 2 1 343.475 2.341 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000178300574 463876808 /nfs/dbraw/zinc/87/68/08/463876808.db2.gz FPMYORCUYOQXQK-QGZVFWFLSA-N 2 1 343.475 2.341 10 30 EEEEMP C=C(C)C[N@H+](C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000181279171 464465659 /nfs/dbraw/zinc/46/56/59/464465659.db2.gz DQTGUNHWZVTIEN-UHFFFAOYSA-N 2 1 345.491 2.065 10 30 EEEEMP C=C(C)CN(C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000181279171 464465665 /nfs/dbraw/zinc/46/56/65/464465665.db2.gz DQTGUNHWZVTIEN-UHFFFAOYSA-N 2 1 345.491 2.065 10 30 EEEEMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535900 465787453 /nfs/dbraw/zinc/78/74/53/465787453.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 1 346.519 2.333 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438652 468586710 /nfs/dbraw/zinc/58/67/10/468586710.db2.gz PHLPYIJAQNJHMS-NEWSRXKRSA-N 2 1 342.487 2.424 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000594441580 468588910 /nfs/dbraw/zinc/58/89/10/468588910.db2.gz SUYHTMGRVUXFCL-ZFWWWQNUSA-N 2 1 334.489 2.022 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000594441580 468588916 /nfs/dbraw/zinc/58/89/16/468588916.db2.gz SUYHTMGRVUXFCL-ZFWWWQNUSA-N 2 1 334.489 2.022 10 30 EEEEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599388685 469239397 /nfs/dbraw/zinc/23/93/97/469239397.db2.gz MOTJOHDLUWPJQO-KRWDZBQOSA-N 2 1 348.491 2.229 10 30 EEEEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599388685 469239401 /nfs/dbraw/zinc/23/94/01/469239401.db2.gz MOTJOHDLUWPJQO-KRWDZBQOSA-N 2 1 348.491 2.229 10 30 EEEEMP CCC[N@@H+](CC#CCOC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000677818940 486499939 /nfs/dbraw/zinc/49/99/39/486499939.db2.gz LWYSOHBICGPQRP-UHFFFAOYSA-N 2 1 330.476 2.424 10 30 EEEEMP CCC[N@H+](CC#CCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000677818940 486499943 /nfs/dbraw/zinc/49/99/43/486499943.db2.gz LWYSOHBICGPQRP-UHFFFAOYSA-N 2 1 330.476 2.424 10 30 EEEEMP CCC[N@@H+](CC#CCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000677818940 486499947 /nfs/dbraw/zinc/49/99/47/486499947.db2.gz LWYSOHBICGPQRP-UHFFFAOYSA-N 2 1 330.476 2.424 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@H](c2cnn(C)c2)C1 ZINC000131798656 528809654 /nfs/dbraw/zinc/80/96/54/528809654.db2.gz CKPAGOKCIRAFPQ-WMZOPIPTSA-N 2 1 346.523 2.049 10 30 EEEEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)cc2C#N)C1 ZINC000774774929 577417572 /nfs/dbraw/zinc/41/75/72/577417572.db2.gz ISUQLLBGEKUCIJ-HNNXBMFYSA-N 2 1 336.823 2.319 10 30 EEEEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)cc2C#N)C1 ZINC000774774929 577417574 /nfs/dbraw/zinc/41/75/74/577417574.db2.gz ISUQLLBGEKUCIJ-HNNXBMFYSA-N 2 1 336.823 2.319 10 30 EEEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485812129 1191972946 /nfs/dbraw/zinc/97/29/46/1191972946.db2.gz ULJWTLKOTOEWEM-AZUAARDMSA-N 2 1 345.531 2.491 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001691188664 1177692120 /nfs/dbraw/zinc/69/21/20/1177692120.db2.gz DHLYMXQMKHNBOY-UHFFFAOYSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001267735409 1180333095 /nfs/dbraw/zinc/33/30/95/1180333095.db2.gz UOBPRCDDSSFWCT-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267916044 1180759108 /nfs/dbraw/zinc/75/91/08/1180759108.db2.gz NTYPVNGLQGJFDG-LJQANCHMSA-N 2 1 333.520 2.491 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001481518284 1181628546 /nfs/dbraw/zinc/62/85/46/1181628546.db2.gz OTBGAZBQONLKEJ-UHFFFAOYSA-N 2 1 342.487 2.180 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001481521419 1181638098 /nfs/dbraw/zinc/63/80/98/1181638098.db2.gz CXSQAMQXFROZFQ-UHFFFAOYSA-N 2 1 327.472 2.165 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCc1ccc(C)cc1 ZINC001268458814 1182740606 /nfs/dbraw/zinc/74/06/06/1182740606.db2.gz JDXCMNCFRYRQQK-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCc1ccc(C)cc1 ZINC001268458814 1182740610 /nfs/dbraw/zinc/74/06/10/1182740610.db2.gz JDXCMNCFRYRQQK-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482109676 1183339309 /nfs/dbraw/zinc/33/93/09/1183339309.db2.gz HIASCWMBTBIYMQ-GXTWGEPZSA-N 2 1 346.313 2.111 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001270623672 1185230543 /nfs/dbraw/zinc/23/05/43/1185230543.db2.gz JIYWMKSZTAABCA-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001270623672 1185230550 /nfs/dbraw/zinc/23/05/50/1185230550.db2.gz JIYWMKSZTAABCA-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482862448 1187775214 /nfs/dbraw/zinc/77/52/14/1187775214.db2.gz SOSUKTYVIJBLBN-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483197269 1189087710 /nfs/dbraw/zinc/08/77/10/1189087710.db2.gz CLDFUSHNPHBOHX-CJNGLKHVSA-N 2 1 334.489 2.088 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568325 1190047999 /nfs/dbraw/zinc/04/79/99/1190047999.db2.gz JRSWIRORQFQWMQ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568325 1190048003 /nfs/dbraw/zinc/04/80/03/1190048003.db2.gz JRSWIRORQFQWMQ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409568325 1190048006 /nfs/dbraw/zinc/04/80/06/1190048006.db2.gz JRSWIRORQFQWMQ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409568325 1190048011 /nfs/dbraw/zinc/04/80/11/1190048011.db2.gz JRSWIRORQFQWMQ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccncc2)c1 ZINC001483401526 1190447231 /nfs/dbraw/zinc/44/72/31/1190447231.db2.gz RVATZXAGLNBNMU-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483401526 1190447234 /nfs/dbraw/zinc/44/72/34/1190447234.db2.gz RVATZXAGLNBNMU-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483401526 1190447237 /nfs/dbraw/zinc/44/72/37/1190447237.db2.gz RVATZXAGLNBNMU-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420323 1190466328 /nfs/dbraw/zinc/46/63/28/1190466328.db2.gz HWJHRANXJICPFT-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420323 1190466330 /nfs/dbraw/zinc/46/63/30/1190466330.db2.gz HWJHRANXJICPFT-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001483420323 1190466333 /nfs/dbraw/zinc/46/63/33/1190466333.db2.gz HWJHRANXJICPFT-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001483420323 1190466336 /nfs/dbraw/zinc/46/63/36/1190466336.db2.gz HWJHRANXJICPFT-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001483471520 1190493578 /nfs/dbraw/zinc/49/35/78/1190493578.db2.gz JUKRMHJJWZVMFC-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001483471520 1190493580 /nfs/dbraw/zinc/49/35/80/1190493580.db2.gz JUKRMHJJWZVMFC-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001483615918 1190591384 /nfs/dbraw/zinc/59/13/84/1190591384.db2.gz PHLFGPPSULRKCM-GDBMZVCRSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848198 1191084127 /nfs/dbraw/zinc/08/41/27/1191084127.db2.gz QSQKJAYBHLEGJW-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484551520 1191410545 /nfs/dbraw/zinc/41/05/45/1191410545.db2.gz KVHQJMQSPKYWOM-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612047 1191437148 /nfs/dbraw/zinc/43/71/48/1191437148.db2.gz DNDGTFDOTPEROH-HXUWFJFHSA-N 2 1 341.499 2.270 10 30 EEEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484821063 1191539978 /nfs/dbraw/zinc/53/99/78/1191539978.db2.gz LIJDTVOCCAPAQC-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001484977211 1191604936 /nfs/dbraw/zinc/60/49/36/1191604936.db2.gz QOKSXXDHMKYZFQ-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159459 1191673939 /nfs/dbraw/zinc/67/39/39/1191673939.db2.gz XLKYOWQUTDIOJM-JKSUJKDBSA-N 2 1 345.462 2.144 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520769 1194042327 /nfs/dbraw/zinc/04/23/27/1194042327.db2.gz IRRSHBQKNNRPGM-ZWKOTPCHSA-N 2 1 349.519 2.058 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204492 1197516116 /nfs/dbraw/zinc/51/61/16/1197516116.db2.gz LJUYIGFRAJPBBR-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000865494634 1198246050 /nfs/dbraw/zinc/24/60/50/1198246050.db2.gz GAMKEBILMMNHGI-PMACEKPBSA-N 2 1 342.487 2.092 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866313068 1201490258 /nfs/dbraw/zinc/49/02/58/1201490258.db2.gz VGSUFFBJVXPNQL-CQSZACIVSA-N 2 1 340.427 2.450 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000923917094 1205926482 /nfs/dbraw/zinc/92/64/82/1205926482.db2.gz DGVPYVWFCMEKES-LJQANCHMSA-N 2 1 346.519 2.180 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001490902329 1254255970 /nfs/dbraw/zinc/25/59/70/1254255970.db2.gz MXWGWOFWYMOUGI-UFYCRDLUSA-N 2 1 339.483 2.149 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001273599454 1280826077 /nfs/dbraw/zinc/82/60/77/1280826077.db2.gz RINLNWALFARJEP-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599454 1280826089 /nfs/dbraw/zinc/82/60/89/1280826089.db2.gz RINLNWALFARJEP-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599454 1280826103 /nfs/dbraw/zinc/82/61/03/1280826103.db2.gz RINLNWALFARJEP-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490204099 1290997617 /nfs/dbraw/zinc/99/76/17/1290997617.db2.gz FBMYWMNYGGSCLD-QGZVFWFLSA-N 2 1 348.516 2.432 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001490204099 1290997622 /nfs/dbraw/zinc/99/76/22/1290997622.db2.gz FBMYWMNYGGSCLD-QGZVFWFLSA-N 2 1 348.516 2.432 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001490204099 1290997629 /nfs/dbraw/zinc/99/76/29/1290997629.db2.gz FBMYWMNYGGSCLD-QGZVFWFLSA-N 2 1 348.516 2.432 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001490610999 1291521814 /nfs/dbraw/zinc/52/18/14/1291521814.db2.gz QBRWSANNWRBTGE-LJQANCHMSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001490610999 1291521821 /nfs/dbraw/zinc/52/18/21/1291521821.db2.gz QBRWSANNWRBTGE-LJQANCHMSA-N 2 1 339.483 2.112 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434718 1310255093 /nfs/dbraw/zinc/25/50/93/1310255093.db2.gz UXVVLJPQNBUZIY-APWZRJJASA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001278667642 1317608541 /nfs/dbraw/zinc/60/85/41/1317608541.db2.gz HFOWHVJVZRCVPH-QFBILLFUSA-N 2 1 330.476 2.240 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755123 1322810438 /nfs/dbraw/zinc/81/04/38/1322810438.db2.gz ISAKQCPUGLIXQC-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001281088087 1322856325 /nfs/dbraw/zinc/85/63/25/1322856325.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC=C)C2)C1 ZINC001281088087 1322856331 /nfs/dbraw/zinc/85/63/31/1322856331.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001281088087 1322856335 /nfs/dbraw/zinc/85/63/35/1322856335.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC=C)C2)C1 ZINC001281088087 1322856338 /nfs/dbraw/zinc/85/63/38/1322856338.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC=C)C2)C1 ZINC001281088087 1322856342 /nfs/dbraw/zinc/85/63/42/1322856342.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 1 343.515 2.365 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001265036322 1322878734 /nfs/dbraw/zinc/87/87/34/1322878734.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001265036322 1322878738 /nfs/dbraw/zinc/87/87/38/1322878738.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001265036322 1322878744 /nfs/dbraw/zinc/87/87/44/1322878744.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1 ZINC001265073317 1322907786 /nfs/dbraw/zinc/90/77/86/1322907786.db2.gz WZPOJHIOPZYOOQ-OALUTQOASA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813482 1323395456 /nfs/dbraw/zinc/39/54/56/1323395456.db2.gz RURPHAATCXKYEP-UYAOXDASSA-N 2 1 341.499 2.254 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001265979734 1323539932 /nfs/dbraw/zinc/53/99/32/1323539932.db2.gz RYDGSIIGEGGXET-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001265979734 1323539935 /nfs/dbraw/zinc/53/99/35/1323539935.db2.gz RYDGSIIGEGGXET-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001266180045 1323747730 /nfs/dbraw/zinc/74/77/30/1323747730.db2.gz XHLGMJVCAIMOBB-SFHVURJKSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001266180045 1323747733 /nfs/dbraw/zinc/74/77/33/1323747733.db2.gz XHLGMJVCAIMOBB-SFHVURJKSA-N 2 1 339.524 2.210 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1 ZINC001279304281 1323869420 /nfs/dbraw/zinc/86/94/20/1323869420.db2.gz BCYBHZLSYWOBRK-IBGZPJMESA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1 ZINC001279304281 1323869428 /nfs/dbraw/zinc/86/94/28/1323869428.db2.gz BCYBHZLSYWOBRK-IBGZPJMESA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001280758651 1324485623 /nfs/dbraw/zinc/48/56/23/1324485623.db2.gz DTSPWSNMCDNNPD-KRWDZBQOSA-N 2 1 348.491 2.180 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001280758651 1324485634 /nfs/dbraw/zinc/48/56/34/1324485634.db2.gz DTSPWSNMCDNNPD-KRWDZBQOSA-N 2 1 348.491 2.180 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773590 1325782144 /nfs/dbraw/zinc/78/21/44/1325782144.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001282773590 1325782146 /nfs/dbraw/zinc/78/21/46/1325782146.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001282773590 1325782149 /nfs/dbraw/zinc/78/21/49/1325782149.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944348 1325845810 /nfs/dbraw/zinc/84/58/10/1325845810.db2.gz AJTCETMXUBJWKG-FHWLQOOXSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944348 1325845815 /nfs/dbraw/zinc/84/58/15/1325845815.db2.gz AJTCETMXUBJWKG-FHWLQOOXSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944348 1325845819 /nfs/dbraw/zinc/84/58/19/1325845819.db2.gz AJTCETMXUBJWKG-FHWLQOOXSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316921334 1331987661 /nfs/dbraw/zinc/98/76/61/1331987661.db2.gz YIZIIGAITKCCRC-IBGZPJMESA-N 2 1 331.504 2.387 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001316921334 1331987663 /nfs/dbraw/zinc/98/76/63/1331987663.db2.gz YIZIIGAITKCCRC-IBGZPJMESA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001317471277 1332258087 /nfs/dbraw/zinc/25/80/87/1332258087.db2.gz HQDKWWJXRXUVEK-KRWDZBQOSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001317838819 1332426138 /nfs/dbraw/zinc/42/61/38/1332426138.db2.gz BGLFZPAEHIAELD-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001317838819 1332426140 /nfs/dbraw/zinc/42/61/40/1332426140.db2.gz BGLFZPAEHIAELD-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001317838819 1332426142 /nfs/dbraw/zinc/42/61/42/1332426142.db2.gz BGLFZPAEHIAELD-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001317838819 1332426143 /nfs/dbraw/zinc/42/61/43/1332426143.db2.gz BGLFZPAEHIAELD-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001317875259 1332438528 /nfs/dbraw/zinc/43/85/28/1332438528.db2.gz DHVGYTUEWYNVFV-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001317875259 1332438530 /nfs/dbraw/zinc/43/85/30/1332438530.db2.gz DHVGYTUEWYNVFV-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001317875259 1332438535 /nfs/dbraw/zinc/43/85/35/1332438535.db2.gz DHVGYTUEWYNVFV-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001319881990 1332791690 /nfs/dbraw/zinc/79/16/90/1332791690.db2.gz YMCZRWCDGVYLLP-UHFFFAOYSA-N 2 1 334.464 2.096 10 30 EEEEMP C=CC[N@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001319881990 1332791692 /nfs/dbraw/zinc/79/16/92/1332791692.db2.gz YMCZRWCDGVYLLP-UHFFFAOYSA-N 2 1 334.464 2.096 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CC)cc1 ZINC001320451614 1332887218 /nfs/dbraw/zinc/88/72/18/1332887218.db2.gz YLCUKUZEJMNDAE-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CC)cc1 ZINC001320451614 1332887220 /nfs/dbraw/zinc/88/72/20/1332887220.db2.gz YLCUKUZEJMNDAE-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740807 1333951323 /nfs/dbraw/zinc/95/13/23/1333951323.db2.gz OMLBRXHEUZMZAG-WNRNVDISSA-N 2 1 339.499 2.411 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001326273599 1334057775 /nfs/dbraw/zinc/05/77/75/1334057775.db2.gz VNKQFGORLULEPB-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001326468357 1334099353 /nfs/dbraw/zinc/09/93/53/1334099353.db2.gz LGEXYGNNFWVOGZ-INIZCTEOSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173806 1334240028 /nfs/dbraw/zinc/24/00/28/1334240028.db2.gz UGZAOBYQYUPPRL-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808133 1334525837 /nfs/dbraw/zinc/52/58/37/1334525837.db2.gz NPLGFQWNTXESQK-UXHICEINSA-N 2 1 345.531 2.446 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001329358320 1334633755 /nfs/dbraw/zinc/63/37/55/1334633755.db2.gz MFNCBBUCEJDEDU-UHFFFAOYSA-N 2 1 329.488 2.216 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329358320 1334633758 /nfs/dbraw/zinc/63/37/58/1334633758.db2.gz MFNCBBUCEJDEDU-UHFFFAOYSA-N 2 1 329.488 2.216 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440426 1334651623 /nfs/dbraw/zinc/65/16/23/1334651623.db2.gz IAICGJRMYLPUMV-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440426 1334651625 /nfs/dbraw/zinc/65/16/25/1334651625.db2.gz IAICGJRMYLPUMV-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001329440426 1334651626 /nfs/dbraw/zinc/65/16/26/1334651626.db2.gz IAICGJRMYLPUMV-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001329440426 1334651628 /nfs/dbraw/zinc/65/16/28/1334651628.db2.gz IAICGJRMYLPUMV-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001558415724 1342476350 /nfs/dbraw/zinc/47/63/50/1342476350.db2.gz DHMUWQHTZDBXLH-UXHICEINSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662635092 1354816160 /nfs/dbraw/zinc/81/61/60/1354816160.db2.gz IQMCQUGNUYQEJE-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662635092 1354816170 /nfs/dbraw/zinc/81/61/70/1354816170.db2.gz IQMCQUGNUYQEJE-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662878772 1354872938 /nfs/dbraw/zinc/87/29/38/1354872938.db2.gz VWSGAVDWDGFRIF-IBGZPJMESA-N 2 1 327.472 2.308 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001671432749 1356338202 /nfs/dbraw/zinc/33/82/02/1356338202.db2.gz XAPMYHHWBVUKER-QZTJIDSGSA-N 2 1 349.519 2.177 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326217 1356501526 /nfs/dbraw/zinc/50/15/26/1356501526.db2.gz BAMNWZLWCVDGLZ-QUCCMNQESA-N 2 1 341.499 2.064 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001672916229 1356614032 /nfs/dbraw/zinc/61/40/32/1356614032.db2.gz OJFYSDBUQLFHDW-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001674353186 1356823299 /nfs/dbraw/zinc/82/32/99/1356823299.db2.gz LKERFLVWPVPGSG-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001674353186 1356823300 /nfs/dbraw/zinc/82/33/00/1356823300.db2.gz LKERFLVWPVPGSG-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001674353186 1356823301 /nfs/dbraw/zinc/82/33/01/1356823301.db2.gz LKERFLVWPVPGSG-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001675615330 1357016084 /nfs/dbraw/zinc/01/60/84/1357016084.db2.gz ULHOFUCRVUEKDX-IAGOWNOFSA-N 2 1 348.491 2.178 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001675914683 1357068674 /nfs/dbraw/zinc/06/86/74/1357068674.db2.gz GUHRTTHZGZJARC-WMZOPIPTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001675914683 1357068679 /nfs/dbraw/zinc/06/86/79/1357068679.db2.gz GUHRTTHZGZJARC-WMZOPIPTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001698717144 1405021923 /nfs/dbraw/zinc/02/19/23/1405021923.db2.gz PCXTWTOBJCUJEA-LJQANCHMSA-N 2 1 327.472 2.146 10 30 EEEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699134803 1405284388 /nfs/dbraw/zinc/28/43/88/1405284388.db2.gz HIZIXXPWTPEHAW-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918001 779540853 /nfs/dbraw/zinc/54/08/53/779540853.db2.gz HZQYIZKTGMIHPC-LJQANCHMSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000822754442 787369570 /nfs/dbraw/zinc/36/95/70/787369570.db2.gz MVAMQYNPAKNVCI-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP C#CCOc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000822754442 787369579 /nfs/dbraw/zinc/36/95/79/787369579.db2.gz MVAMQYNPAKNVCI-INIZCTEOSA-N 2 1 346.475 2.092 10 30 EEEEMP C#CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001147283515 791781444 /nfs/dbraw/zinc/78/14/44/791781444.db2.gz LZZAARJPCSGWMY-UHFFFAOYSA-N 2 1 325.456 2.064 10 30 EEEEMP C#CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001147283515 791781448 /nfs/dbraw/zinc/78/14/48/791781448.db2.gz LZZAARJPCSGWMY-UHFFFAOYSA-N 2 1 325.456 2.064 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439330807 1092015335 /nfs/dbraw/zinc/01/53/35/1092015335.db2.gz KJEGKXVVRQDWMG-CQSZACIVSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001439330807 1092015347 /nfs/dbraw/zinc/01/53/47/1092015347.db2.gz KJEGKXVVRQDWMG-CQSZACIVSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439330807 1092015357 /nfs/dbraw/zinc/01/53/57/1092015357.db2.gz KJEGKXVVRQDWMG-CQSZACIVSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)CCC[NH+](C)C ZINC001449035011 1094047722 /nfs/dbraw/zinc/04/77/22/1094047722.db2.gz USDLMXPGWQMJIP-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479788966 1098992541 /nfs/dbraw/zinc/99/25/41/1098992541.db2.gz IKTVEGJSQLUICL-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001479788966 1098992551 /nfs/dbraw/zinc/99/25/51/1098992551.db2.gz IKTVEGJSQLUICL-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001479788966 1098992567 /nfs/dbraw/zinc/99/25/67/1098992567.db2.gz IKTVEGJSQLUICL-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC#CC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001480412007 1100229895 /nfs/dbraw/zinc/22/98/95/1100229895.db2.gz ZTAPWCHSACAJKW-ACBHZAAOSA-N 2 1 327.472 2.330 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001446475140 1100900710 /nfs/dbraw/zinc/90/07/10/1100900710.db2.gz GEKAGFSTIYMXRJ-UHFFFAOYSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001495520770 1101233316 /nfs/dbraw/zinc/23/33/16/1101233316.db2.gz PPTWADXJEISLRZ-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001495520770 1101233323 /nfs/dbraw/zinc/23/33/23/1101233323.db2.gz PPTWADXJEISLRZ-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684889 1101434936 /nfs/dbraw/zinc/43/49/36/1101434936.db2.gz YCELZKPKLBDVQE-APWZRJJASA-N 2 1 342.487 2.275 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001497207453 1102128335 /nfs/dbraw/zinc/12/83/35/1102128335.db2.gz IGRMEIZOSVUTQC-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001497207453 1102128340 /nfs/dbraw/zinc/12/83/40/1102128340.db2.gz IGRMEIZOSVUTQC-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497547991 1102649245 /nfs/dbraw/zinc/64/92/45/1102649245.db2.gz HPSHDJKQYNRRTM-DCKQQPRJSA-N 2 1 345.874 2.048 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001494082031 1103492701 /nfs/dbraw/zinc/49/27/01/1103492701.db2.gz CIKHFDFLDAEIKO-SFHVURJKSA-N 2 1 331.504 2.126 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)CCC=C)CC1 ZINC001493160620 1107615848 /nfs/dbraw/zinc/61/58/48/1107615848.db2.gz IUMZSSPSTWWCJM-IEBWSBKVSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113336 /nfs/dbraw/zinc/11/33/36/1108113336.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 2 1 327.472 2.098 10 30 EEEEMP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113342 /nfs/dbraw/zinc/11/33/42/1108113342.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 2 1 327.472 2.098 10 30 EEEEMP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113350 /nfs/dbraw/zinc/11/33/50/1108113350.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 2 1 327.472 2.098 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001500406623 1112809071 /nfs/dbraw/zinc/80/90/71/1112809071.db2.gz QFRRKOLHEZHLFN-ICSRJNTNSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523121 1112914964 /nfs/dbraw/zinc/91/49/64/1112914964.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523121 1112914970 /nfs/dbraw/zinc/91/49/70/1112914970.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523121 1112914976 /nfs/dbraw/zinc/91/49/76/1112914976.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 2 1 337.483 2.050 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001505691434 1114133331 /nfs/dbraw/zinc/13/33/31/1114133331.db2.gz WPCFXSIAFSFIDP-OLZOCXBDSA-N 2 1 340.855 2.119 10 30 EEEEMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001568253155 1124387414 /nfs/dbraw/zinc/38/74/14/1124387414.db2.gz ZABDUHPSLTXCIS-LJQANCHMSA-N 2 1 339.483 2.237 10 30 EEEEMP CC[C@@H](O)[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272364 /nfs/dbraw/zinc/27/23/64/465272364.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272368 /nfs/dbraw/zinc/27/23/68/465272368.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272373 /nfs/dbraw/zinc/27/23/73/465272373.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 2 1 336.520 2.241 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000174769904 464448947 /nfs/dbraw/zinc/44/89/47/464448947.db2.gz MWVJKBCSQYGNOA-QZTJIDSGSA-N 2 1 334.508 2.295 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527768967 467664944 /nfs/dbraw/zinc/66/49/44/467664944.db2.gz URGXEYFDHHDLRA-GOSISDBHSA-N 2 1 334.508 2.343 10 30 EEEEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439875 468587511 /nfs/dbraw/zinc/58/75/11/468587511.db2.gz VQHQEJHRZDWSKP-MSOLQXFVSA-N 2 1 328.460 2.131 10 30 EEEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721954 468635642 /nfs/dbraw/zinc/63/56/42/468635642.db2.gz OCFKAVIFAYIATB-RTBURBONSA-N 2 1 327.472 2.195 10 30 EEEEMP N#Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000595894625 469066838 /nfs/dbraw/zinc/06/68/38/469066838.db2.gz XVJAZTDWYDNZTH-HNNXBMFYSA-N 2 1 338.377 2.057 10 30 EEEEMP N#Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000595894625 469066846 /nfs/dbraw/zinc/06/68/46/469066846.db2.gz XVJAZTDWYDNZTH-HNNXBMFYSA-N 2 1 338.377 2.057 10 30 EEEEMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358553 469225489 /nfs/dbraw/zinc/22/54/89/469225489.db2.gz FBWWKGKVMRLZKM-LNLFQRSKSA-N 2 1 349.519 2.300 10 30 EEEEMP C=CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662692898 472209948 /nfs/dbraw/zinc/20/99/48/472209948.db2.gz RHZPPNUOGVWXHJ-FQEVSTJZSA-N 2 1 343.471 2.198 10 30 EEEEMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262784231 688457953 /nfs/dbraw/zinc/45/79/53/688457953.db2.gz LZNHNXNMOZRVPC-ZAXTYVKMSA-N 2 1 336.524 2.108 10 30 EEEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905099035 694528720 /nfs/dbraw/zinc/52/87/20/694528720.db2.gz YDUQIPTUDIKBMQ-VQTJNVASSA-N 2 1 332.488 2.491 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691114804 1177605146 /nfs/dbraw/zinc/60/51/46/1177605146.db2.gz WSNUZFLFAGSOEE-RVKKMQEKSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001671308894 1178011001 /nfs/dbraw/zinc/01/10/01/1178011001.db2.gz ROVSXRAJZLMNMA-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001671308894 1178011010 /nfs/dbraw/zinc/01/10/10/1178011010.db2.gz ROVSXRAJZLMNMA-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481151570 1179930163 /nfs/dbraw/zinc/93/01/63/1179930163.db2.gz KUBNVPWDAMUDGG-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481151570 1179930167 /nfs/dbraw/zinc/93/01/67/1179930167.db2.gz KUBNVPWDAMUDGG-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481151570 1179930171 /nfs/dbraw/zinc/93/01/71/1179930171.db2.gz KUBNVPWDAMUDGG-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376647 1183887076 /nfs/dbraw/zinc/88/70/76/1183887076.db2.gz WSQPEVXTDLMRCK-KGLIPLIRSA-N 2 1 335.414 2.129 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001271528980 1186293295 /nfs/dbraw/zinc/29/32/95/1186293295.db2.gz DJBNWHXEULCGIZ-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271565267 1186315510 /nfs/dbraw/zinc/31/55/10/1186315510.db2.gz CAXVLOGAMYNLNU-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001482842182 1187761317 /nfs/dbraw/zinc/76/13/17/1187761317.db2.gz XQHXMKXUBBZPCY-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001482842182 1187761321 /nfs/dbraw/zinc/76/13/21/1187761321.db2.gz XQHXMKXUBBZPCY-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001486143655 1193695628 /nfs/dbraw/zinc/69/56/28/1193695628.db2.gz CALNCQFTVRKMOV-PZJWPPBQSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485042971 1191623732 /nfs/dbraw/zinc/62/37/32/1191623732.db2.gz HEXLVRPPEHPQPF-FBBABVLZSA-N 2 1 339.483 2.256 10 30 EEEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866669202 1201575110 /nfs/dbraw/zinc/57/51/10/1201575110.db2.gz UIZOIQSDWHZXMV-RTBURBONSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866669202 1201575116 /nfs/dbraw/zinc/57/51/16/1201575116.db2.gz UIZOIQSDWHZXMV-RTBURBONSA-N 2 1 341.455 2.484 10 30 EEEEMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296826 1258913121 /nfs/dbraw/zinc/91/31/21/1258913121.db2.gz GJAAAZICZOLMGN-APWZRJJASA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(C)C[N@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001490389304 1291278100 /nfs/dbraw/zinc/27/81/00/1291278100.db2.gz DCJCQAKWQBREKO-UHFFFAOYSA-N 2 1 339.443 2.428 10 30 EEEEMP C=C(C)C[N@@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001490389304 1291278109 /nfs/dbraw/zinc/27/81/09/1291278109.db2.gz DCJCQAKWQBREKO-UHFFFAOYSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC=C(C)C)C1 ZINC001490766181 1291703213 /nfs/dbraw/zinc/70/32/13/1291703213.db2.gz LTKYTROINMBAFT-OALUTQOASA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001490766181 1291703221 /nfs/dbraw/zinc/70/32/21/1291703221.db2.gz LTKYTROINMBAFT-OALUTQOASA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC=C(C)C)C1 ZINC001490766181 1291703228 /nfs/dbraw/zinc/70/32/28/1291703228.db2.gz LTKYTROINMBAFT-OALUTQOASA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC=C(C)C)C1 ZINC001490766181 1291703234 /nfs/dbraw/zinc/70/32/34/1291703234.db2.gz LTKYTROINMBAFT-OALUTQOASA-N 2 1 331.504 2.221 10 30 EEEEMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388528 1297158938 /nfs/dbraw/zinc/15/89/38/1297158938.db2.gz ISANWCWYPUNTQU-APWZRJJASA-N 2 1 349.519 2.033 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001277382623 1302757129 /nfs/dbraw/zinc/75/71/29/1302757129.db2.gz OLGOAXZMAGXWHW-UHFFFAOYSA-N 2 1 331.504 2.247 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCC)CC1 ZINC001278194043 1306241071 /nfs/dbraw/zinc/24/10/71/1306241071.db2.gz FYYHUZJZCXNAGZ-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001278299391 1309137758 /nfs/dbraw/zinc/13/77/58/1309137758.db2.gz BFVQHBZTORZXNC-DOTOQJQBSA-N 2 1 346.475 2.429 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC=C)CC1 ZINC001278327541 1309464168 /nfs/dbraw/zinc/46/41/68/1309464168.db2.gz KNJXUJVPGINJOJ-UXHICEINSA-N 2 1 343.515 2.363 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001278503350 1310877289 /nfs/dbraw/zinc/87/72/89/1310877289.db2.gz BJOVCHPPFRBCRU-ICSRJNTNSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001264038344 1322595396 /nfs/dbraw/zinc/59/53/96/1322595396.db2.gz HHGJXCLOUVRAAZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001264038344 1322595399 /nfs/dbraw/zinc/59/53/99/1322595399.db2.gz HHGJXCLOUVRAAZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001264038344 1322595402 /nfs/dbraw/zinc/59/54/02/1322595402.db2.gz HHGJXCLOUVRAAZ-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264446752 1322704068 /nfs/dbraw/zinc/70/40/68/1322704068.db2.gz JWJCDCZOUDKYTH-OTWHNJEPSA-N 2 1 329.488 2.487 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279631141 1323965989 /nfs/dbraw/zinc/96/59/89/1323965989.db2.gz RKHDIJBDCPOEPS-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001281778269 1325450125 /nfs/dbraw/zinc/45/01/25/1325450125.db2.gz YCNOJZFTAAWWSI-GOSISDBHSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001281778269 1325450129 /nfs/dbraw/zinc/45/01/29/1325450129.db2.gz YCNOJZFTAAWWSI-GOSISDBHSA-N 2 1 327.472 2.230 10 30 EEEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001282334980 1325694268 /nfs/dbraw/zinc/69/42/68/1325694268.db2.gz KRDITAOQBGXJOM-SFHVURJKSA-N 2 1 329.488 2.387 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C)cc1C ZINC001282403941 1325710598 /nfs/dbraw/zinc/71/05/98/1325710598.db2.gz ZIZONTRGPMAISB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C)cc1C ZINC001282403941 1325710599 /nfs/dbraw/zinc/71/05/99/1325710599.db2.gz ZIZONTRGPMAISB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC001282403941 1325710601 /nfs/dbraw/zinc/71/06/01/1325710601.db2.gz ZIZONTRGPMAISB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC001282403941 1325710603 /nfs/dbraw/zinc/71/06/03/1325710603.db2.gz ZIZONTRGPMAISB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001284928660 1326780453 /nfs/dbraw/zinc/78/04/53/1326780453.db2.gz FHJGOQVWHYYGSA-OAHLLOKOSA-N 2 1 346.475 2.453 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001284928660 1326780456 /nfs/dbraw/zinc/78/04/56/1326780456.db2.gz FHJGOQVWHYYGSA-OAHLLOKOSA-N 2 1 346.475 2.453 10 30 EEEEMP C=C(C)C[N@H+](CC)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001316905247 1331970625 /nfs/dbraw/zinc/97/06/25/1331970625.db2.gz QFPBEOFVYPKEJJ-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001316905247 1331970627 /nfs/dbraw/zinc/97/06/27/1331970627.db2.gz QFPBEOFVYPKEJJ-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955111 1332014757 /nfs/dbraw/zinc/01/47/57/1332014757.db2.gz PPMRNEGMGBQADL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316955111 1332014754 /nfs/dbraw/zinc/01/47/54/1332014754.db2.gz PPMRNEGMGBQADL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316955111 1332014756 /nfs/dbraw/zinc/01/47/56/1332014756.db2.gz PPMRNEGMGBQADL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955111 1332014762 /nfs/dbraw/zinc/01/47/62/1332014762.db2.gz PPMRNEGMGBQADL-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317598171 1332318312 /nfs/dbraw/zinc/31/83/12/1332318312.db2.gz OMQUWXFYKPYOKB-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001319606815 1332728400 /nfs/dbraw/zinc/72/84/00/1332728400.db2.gz ZJOFPMVNHDYYIW-PMACEKPBSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C ZINC001322548643 1333280914 /nfs/dbraw/zinc/28/09/14/1333280914.db2.gz DPSREVKWFRMDJU-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C ZINC001322548643 1333280918 /nfs/dbraw/zinc/28/09/18/1333280918.db2.gz DPSREVKWFRMDJU-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001323159349 1333399830 /nfs/dbraw/zinc/39/98/30/1333399830.db2.gz LBYRFSBIXZFJLP-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001324870161 1333778054 /nfs/dbraw/zinc/77/80/54/1333778054.db2.gz VKPDZMFBGWIDJV-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001324870161 1333778059 /nfs/dbraw/zinc/77/80/59/1333778059.db2.gz VKPDZMFBGWIDJV-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001325541677 1333907330 /nfs/dbraw/zinc/90/73/30/1333907330.db2.gz DGBVWCLOOVNXMW-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001326417792 1334089359 /nfs/dbraw/zinc/08/93/59/1334089359.db2.gz FLLJGWKNURZZCJ-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1csc(C)c1 ZINC001329470573 1334656354 /nfs/dbraw/zinc/65/63/54/1334656354.db2.gz IYSCPLIIWJXDTA-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1csc(C)c1 ZINC001329470573 1334656358 /nfs/dbraw/zinc/65/63/58/1334656358.db2.gz IYSCPLIIWJXDTA-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1csc(C)c1 ZINC001329470573 1334656363 /nfs/dbraw/zinc/65/63/63/1334656363.db2.gz IYSCPLIIWJXDTA-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001329470573 1334656369 /nfs/dbraw/zinc/65/63/69/1334656369.db2.gz IYSCPLIIWJXDTA-YOEHRIQHSA-N 2 1 333.501 2.091 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332281987 1335790966 /nfs/dbraw/zinc/79/09/66/1335790966.db2.gz NYGIAIIQADJQFJ-HUUCEWRRSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[N@@H+](CC[C@H](O)C(C)C)C1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC001336832065 1336601861 /nfs/dbraw/zinc/60/18/61/1336601861.db2.gz BKEAMWFAJBKGPJ-UXHICEINSA-N 2 1 338.536 2.200 10 30 EEEEMP C#CC[N@H+](CC[C@H](O)C(C)C)C1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC001336832065 1336601864 /nfs/dbraw/zinc/60/18/64/1336601864.db2.gz BKEAMWFAJBKGPJ-UXHICEINSA-N 2 1 338.536 2.200 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001564847999 1342550898 /nfs/dbraw/zinc/55/08/98/1342550898.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001564847999 1342550900 /nfs/dbraw/zinc/55/09/00/1342550900.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001564847999 1342550901 /nfs/dbraw/zinc/55/09/01/1342550901.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 2 1 334.508 2.038 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001566869736 1342642906 /nfs/dbraw/zinc/64/29/06/1342642906.db2.gz PMBGVEHQQXOTBK-MSOLQXFVSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001566869736 1342642908 /nfs/dbraw/zinc/64/29/08/1342642908.db2.gz PMBGVEHQQXOTBK-MSOLQXFVSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001566869736 1342642910 /nfs/dbraw/zinc/64/29/10/1342642910.db2.gz PMBGVEHQQXOTBK-MSOLQXFVSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001566869736 1342642912 /nfs/dbraw/zinc/64/29/12/1342642912.db2.gz PMBGVEHQQXOTBK-MSOLQXFVSA-N 2 1 339.524 2.116 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740593 1342828993 /nfs/dbraw/zinc/82/89/93/1342828993.db2.gz BONGIONVYANFHY-LJQANCHMSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740593 1342828998 /nfs/dbraw/zinc/82/89/98/1342828998.db2.gz BONGIONVYANFHY-LJQANCHMSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567740593 1342829003 /nfs/dbraw/zinc/82/90/03/1342829003.db2.gz BONGIONVYANFHY-LJQANCHMSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567740593 1342829009 /nfs/dbraw/zinc/82/90/09/1342829009.db2.gz BONGIONVYANFHY-LJQANCHMSA-N 2 1 329.488 2.475 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001570275608 1343049003 /nfs/dbraw/zinc/04/90/03/1343049003.db2.gz YXJCIFFUNPRTED-AZUAARDMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001571021769 1343153389 /nfs/dbraw/zinc/15/33/89/1343153389.db2.gz JQCLXUDBEJAOOS-IPMKNSEASA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001571307480 1343177065 /nfs/dbraw/zinc/17/70/65/1343177065.db2.gz DBCUOWWCRBXSBL-HUUCEWRRSA-N 2 1 348.516 2.336 10 30 EEEEMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001571332037 1343185813 /nfs/dbraw/zinc/18/58/13/1343185813.db2.gz QDZAUWZGVCQNDV-OALUTQOASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001571332037 1343185817 /nfs/dbraw/zinc/18/58/17/1343185817.db2.gz QDZAUWZGVCQNDV-OALUTQOASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001571332037 1343185818 /nfs/dbraw/zinc/18/58/18/1343185818.db2.gz QDZAUWZGVCQNDV-OALUTQOASA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001676238669 1357124918 /nfs/dbraw/zinc/12/49/18/1357124918.db2.gz IWCHYAMAWJUTQX-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001656837236 1354282942 /nfs/dbraw/zinc/28/29/42/1354282942.db2.gz XXCPEALUMAIZRI-MSOLQXFVSA-N 2 1 330.476 2.328 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001656837236 1354282945 /nfs/dbraw/zinc/28/29/45/1354282945.db2.gz XXCPEALUMAIZRI-MSOLQXFVSA-N 2 1 330.476 2.328 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001665686333 1355358980 /nfs/dbraw/zinc/35/89/80/1355358980.db2.gz HZWIYKAUZPWBTF-HKUYNNGSSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930540 1356242599 /nfs/dbraw/zinc/24/25/99/1356242599.db2.gz OJLLFVBKZLFVEP-ZWKOTPCHSA-N 2 1 335.536 2.450 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001672796891 1356585989 /nfs/dbraw/zinc/58/59/89/1356585989.db2.gz YCQSXQZVBJYAPC-RBUKOAKNSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)CCC=C)CC2 ZINC001673008887 1356631144 /nfs/dbraw/zinc/63/11/44/1356631144.db2.gz NQOHOBTVWXODJL-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)CCC=C)CC2 ZINC001673008887 1356631147 /nfs/dbraw/zinc/63/11/47/1356631147.db2.gz NQOHOBTVWXODJL-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCCC(F)(F)F ZINC001674942534 1356913938 /nfs/dbraw/zinc/91/39/38/1356913938.db2.gz BMNJMOCSMCYNGK-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCCC(F)(F)F ZINC001674942534 1356913940 /nfs/dbraw/zinc/91/39/40/1356913940.db2.gz BMNJMOCSMCYNGK-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCCC(F)(F)F ZINC001674942534 1356913941 /nfs/dbraw/zinc/91/39/41/1356913941.db2.gz BMNJMOCSMCYNGK-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCCC(F)(F)F ZINC001674942534 1356913943 /nfs/dbraw/zinc/91/39/43/1356913943.db2.gz BMNJMOCSMCYNGK-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001675948014 1357075180 /nfs/dbraw/zinc/07/51/80/1357075180.db2.gz NVDCPXVKONUEJL-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001698795207 1405072996 /nfs/dbraw/zinc/07/29/96/1405072996.db2.gz ASFCVSYAAFLWSH-IBGZPJMESA-N 2 1 339.483 2.151 10 30 EEEEMP C#CC[N@H+]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001147291378 791784494 /nfs/dbraw/zinc/78/44/94/791784494.db2.gz SSKYIUMXCHPTFI-FQEVSTJZSA-N 2 1 339.483 2.034 10 30 EEEEMP C#CC[N@@H+]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001147291378 791784497 /nfs/dbraw/zinc/78/44/97/791784497.db2.gz SSKYIUMXCHPTFI-FQEVSTJZSA-N 2 1 339.483 2.034 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000913803474 794297597 /nfs/dbraw/zinc/29/75/97/794297597.db2.gz XNWQACQUNOEZQK-PZJWPPBQSA-N 2 1 341.499 2.475 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001437395554 1089651023 /nfs/dbraw/zinc/65/10/23/1089651023.db2.gz DRYHHNBUFQOHTH-ILXRZTDVSA-N 2 1 348.516 2.334 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480058 1089826219 /nfs/dbraw/zinc/82/62/19/1089826219.db2.gz BIXAKUMMPUNZQS-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(C#N)cc1 ZINC001437480058 1089826235 /nfs/dbraw/zinc/82/62/35/1089826235.db2.gz BIXAKUMMPUNZQS-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccc(C#N)cc1 ZINC001437480058 1089826251 /nfs/dbraw/zinc/82/62/51/1089826251.db2.gz BIXAKUMMPUNZQS-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001446329520 1092530202 /nfs/dbraw/zinc/53/02/02/1092530202.db2.gz JBFJKTPNDLPLTG-KRWDZBQOSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001446329520 1092530216 /nfs/dbraw/zinc/53/02/16/1092530216.db2.gz JBFJKTPNDLPLTG-KRWDZBQOSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001446329520 1092530231 /nfs/dbraw/zinc/53/02/31/1092530231.db2.gz JBFJKTPNDLPLTG-KRWDZBQOSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001446329520 1092530246 /nfs/dbraw/zinc/53/02/46/1092530246.db2.gz JBFJKTPNDLPLTG-KRWDZBQOSA-N 2 1 327.900 2.394 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654825 1093928130 /nfs/dbraw/zinc/92/81/30/1093928130.db2.gz XZOXMBNGQRHIQX-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654825 1093928135 /nfs/dbraw/zinc/92/81/35/1093928135.db2.gz XZOXMBNGQRHIQX-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654825 1093928137 /nfs/dbraw/zinc/92/81/37/1093928137.db2.gz XZOXMBNGQRHIQX-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001441434777 1095039758 /nfs/dbraw/zinc/03/97/58/1095039758.db2.gz NAMLXGXINYKOHQ-DLBZAZTESA-N 2 1 346.500 2.041 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930730 1096118626 /nfs/dbraw/zinc/11/86/26/1096118626.db2.gz XHXDAPNSXXZLNA-ZWKOTPCHSA-N 2 1 349.906 2.398 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001479790150 1098993378 /nfs/dbraw/zinc/99/33/78/1098993378.db2.gz UPTZDMDILVHVSL-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001479790150 1098993384 /nfs/dbraw/zinc/99/33/84/1098993384.db2.gz UPTZDMDILVHVSL-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001479790150 1098993392 /nfs/dbraw/zinc/99/33/92/1098993392.db2.gz UPTZDMDILVHVSL-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP O=C(C[NH+]1CCCC1)NCCC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC001479879792 1099246570 /nfs/dbraw/zinc/24/65/70/1099246570.db2.gz IXDAKMLMNDQBEC-UHFFFAOYSA-N 2 1 339.483 2.105 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570212 1101171213 /nfs/dbraw/zinc/17/12/13/1101171213.db2.gz OAGQKEFZLTUPAP-UXHICEINSA-N 2 1 341.499 2.057 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570212 1101171224 /nfs/dbraw/zinc/17/12/24/1101171224.db2.gz OAGQKEFZLTUPAP-UXHICEINSA-N 2 1 341.499 2.057 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627105 1101230881 /nfs/dbraw/zinc/23/08/81/1101230881.db2.gz ISVMOUVSPSDBOS-RBUKOAKNSA-N 2 1 342.487 2.130 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001497501555 1102590808 /nfs/dbraw/zinc/59/08/08/1102590808.db2.gz XQSNILZTYMNGIY-GASCZTMLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001494205597 1103693669 /nfs/dbraw/zinc/69/36/69/1103693669.db2.gz OSIXCLKFFXUAPH-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001494205597 1103693673 /nfs/dbraw/zinc/69/36/73/1103693673.db2.gz OSIXCLKFFXUAPH-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001494205597 1103693676 /nfs/dbraw/zinc/69/36/76/1103693676.db2.gz OSIXCLKFFXUAPH-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479426565 1110695307 /nfs/dbraw/zinc/69/53/07/1110695307.db2.gz RIAQNMIGWBGBIS-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570768 1112375461 /nfs/dbraw/zinc/37/54/61/1112375461.db2.gz UYQVZXXLPWJECR-HKUYNNGSSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500039121 1112588635 /nfs/dbraw/zinc/58/86/35/1112588635.db2.gz IXJWKGSTOMGMGI-INIZCTEOSA-N 2 1 337.483 2.145 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001501020964 1113170135 /nfs/dbraw/zinc/17/01/35/1113170135.db2.gz AAJZUKRCPTVZFF-SFHVURJKSA-N 2 1 326.444 2.387 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001501711169 1113445235 /nfs/dbraw/zinc/44/52/35/1113445235.db2.gz ZOPGUOVSSSSRNA-WKILWMFISA-N 2 1 346.475 2.335 10 30 EEEEMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001502346707 1113638067 /nfs/dbraw/zinc/63/80/67/1113638067.db2.gz XSYAHTOYOFRJRD-LJQANCHMSA-N 2 1 329.488 2.159 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406769 1113671715 /nfs/dbraw/zinc/67/17/15/1113671715.db2.gz SDYRJVAGMCFMMW-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001502471113 1113697163 /nfs/dbraw/zinc/69/71/63/1113697163.db2.gz XNPSLJNGAQXMCM-KRWDZBQOSA-N 2 1 349.519 2.012 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001503691672 1113900278 /nfs/dbraw/zinc/90/02/78/1113900278.db2.gz OVPKMVKBKYERNX-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001503691672 1113900281 /nfs/dbraw/zinc/90/02/81/1113900281.db2.gz OVPKMVKBKYERNX-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001503691672 1113900283 /nfs/dbraw/zinc/90/02/83/1113900283.db2.gz OVPKMVKBKYERNX-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001506519985 1114668949 /nfs/dbraw/zinc/66/89/49/1114668949.db2.gz ZGDXNANSCRTXHC-KRWDZBQOSA-N 2 1 342.487 2.186 10 30 EEEEMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856335 /nfs/dbraw/zinc/85/63/35/1114856335.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856337 /nfs/dbraw/zinc/85/63/37/1114856337.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856339 /nfs/dbraw/zinc/85/63/39/1114856339.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001507091478 1115103508 /nfs/dbraw/zinc/10/35/08/1115103508.db2.gz KWDFIBYFRAHICE-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001507091478 1115103514 /nfs/dbraw/zinc/10/35/14/1115103514.db2.gz KWDFIBYFRAHICE-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567882354 1124156021 /nfs/dbraw/zinc/15/60/21/1124156021.db2.gz YKLXAGMOJFINRP-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567882354 1124156024 /nfs/dbraw/zinc/15/60/24/1124156024.db2.gz YKLXAGMOJFINRP-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567882354 1124156025 /nfs/dbraw/zinc/15/60/25/1124156025.db2.gz YKLXAGMOJFINRP-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567882354 1124156026 /nfs/dbraw/zinc/15/60/26/1124156026.db2.gz YKLXAGMOJFINRP-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C(C)C ZINC001568338648 1124425653 /nfs/dbraw/zinc/42/56/53/1124425653.db2.gz CWTQGQUOPJJNHE-FQEVSTJZSA-N 2 1 343.515 2.499 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000154548226 224269642 /nfs/dbraw/zinc/26/96/42/224269642.db2.gz XBAJXWHUUPRHHI-RBUKOAKNSA-N 2 1 349.438 2.333 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000154548226 224269644 /nfs/dbraw/zinc/26/96/44/224269644.db2.gz XBAJXWHUUPRHHI-RBUKOAKNSA-N 2 1 349.438 2.333 10 30 EEEEMP N#Cc1csc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397597903 268320645 /nfs/dbraw/zinc/32/06/45/268320645.db2.gz QYSHFHVORZOEFE-UHFFFAOYSA-N 2 1 342.468 2.131 10 30 EEEEMP C=CCOc1ccccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353673129 466055261 /nfs/dbraw/zinc/05/52/61/466055261.db2.gz RGOQTMYUAUIYNP-UHFFFAOYSA-N 2 1 345.487 2.333 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684834 472205410 /nfs/dbraw/zinc/20/54/10/472205410.db2.gz JTVQFSKURVDIPT-KSSFIOAISA-N 2 1 333.501 2.309 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684834 472205417 /nfs/dbraw/zinc/20/54/17/472205417.db2.gz JTVQFSKURVDIPT-KSSFIOAISA-N 2 1 333.501 2.309 10 30 EEEEMP C[NH+]=C(NCc1nccn1CC(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262426075 686001201 /nfs/dbraw/zinc/00/12/01/686001201.db2.gz RQNFNDDHJXCUQH-ALOPSCKCSA-N 2 1 346.523 2.219 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266567657 1176859532 /nfs/dbraw/zinc/85/95/32/1176859532.db2.gz MYIWAJOXFBEDGZ-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001691796458 1176865970 /nfs/dbraw/zinc/86/59/70/1176865970.db2.gz IMHFDERNDBRZKP-OALUTQOASA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691796458 1176865981 /nfs/dbraw/zinc/86/59/81/1176865981.db2.gz IMHFDERNDBRZKP-OALUTQOASA-N 2 1 327.472 2.330 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C(C)C ZINC001267320366 1178751617 /nfs/dbraw/zinc/75/16/17/1178751617.db2.gz HOZHYYCNAVGTLG-UHFFFAOYSA-N 2 1 329.488 2.207 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+](C)C(C)C ZINC001267320366 1178751623 /nfs/dbraw/zinc/75/16/23/1178751623.db2.gz HOZHYYCNAVGTLG-UHFFFAOYSA-N 2 1 329.488 2.207 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+](C)C(C)C ZINC001267320366 1178751627 /nfs/dbraw/zinc/75/16/27/1178751627.db2.gz HOZHYYCNAVGTLG-UHFFFAOYSA-N 2 1 329.488 2.207 10 30 EEEEMP CN(CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480935966 1178901754 /nfs/dbraw/zinc/90/17/54/1178901754.db2.gz VEBAETXSDIGMPJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935966 1178901761 /nfs/dbraw/zinc/90/17/61/1178901761.db2.gz VEBAETXSDIGMPJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935966 1178901768 /nfs/dbraw/zinc/90/17/68/1178901768.db2.gz VEBAETXSDIGMPJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480935966 1178901772 /nfs/dbraw/zinc/90/17/72/1178901772.db2.gz VEBAETXSDIGMPJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480935966 1178901778 /nfs/dbraw/zinc/90/17/78/1178901778.db2.gz VEBAETXSDIGMPJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098828 1179736440 /nfs/dbraw/zinc/73/64/40/1179736440.db2.gz ICMNESBWKDKDES-GJZGRUSLSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098828 1179736444 /nfs/dbraw/zinc/73/64/44/1179736444.db2.gz ICMNESBWKDKDES-GJZGRUSLSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001267925783 1180773311 /nfs/dbraw/zinc/77/33/11/1180773311.db2.gz NECJWCPIBYCIKC-CADBVGFASA-N 2 1 349.519 2.223 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365954 1181134028 /nfs/dbraw/zinc/13/40/28/1181134028.db2.gz UUDJXDHONXATTE-RTBURBONSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCC(C)C)C2)CC1 ZINC001481507567 1181593043 /nfs/dbraw/zinc/59/30/43/1181593043.db2.gz BPGWHXQYNSNGTM-SFHVURJKSA-N 2 1 333.520 2.158 10 30 EEEEMP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268187215 1181976606 /nfs/dbraw/zinc/97/66/06/1181976606.db2.gz OLJPMXZKMHIYDU-YOEHRIQHSA-N 2 1 334.464 2.143 10 30 EEEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482028082 1183157894 /nfs/dbraw/zinc/15/78/94/1183157894.db2.gz ZTAPWCHSACAJKW-FHWLQOOXSA-N 2 1 327.472 2.330 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268549593 1183232253 /nfs/dbraw/zinc/23/22/53/1183232253.db2.gz QSBFCKHUDSQNLP-IDOMTICXSA-N 2 1 346.500 2.256 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001482058396 1183263997 /nfs/dbraw/zinc/26/39/97/1183263997.db2.gz BTVBTORPGONJBR-UXHICEINSA-N 2 1 339.483 2.103 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482161083 1183484360 /nfs/dbraw/zinc/48/43/60/1183484360.db2.gz BVMFZTMXJKDGLY-MRXNPFEDSA-N 2 1 349.906 2.375 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001268821454 1183740754 /nfs/dbraw/zinc/74/07/54/1183740754.db2.gz CZUICRUXCXJURJ-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001269593228 1184417529 /nfs/dbraw/zinc/41/75/29/1184417529.db2.gz QEPHQGBKDGMKJP-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482392778 1185597788 /nfs/dbraw/zinc/59/77/88/1185597788.db2.gz IZADYKBQBIARLB-DLBZAZTESA-N 2 1 332.492 2.451 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001691564408 1188265896 /nfs/dbraw/zinc/26/58/96/1188265896.db2.gz RDUAJCFGBTUBHF-MSOLQXFVSA-N 2 1 333.520 2.465 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855710 1193617743 /nfs/dbraw/zinc/61/77/43/1193617743.db2.gz MOFOKBOPTAYQLR-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568318 1190048123 /nfs/dbraw/zinc/04/81/23/1190048123.db2.gz JRSWIRORQFQWMQ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568318 1190048130 /nfs/dbraw/zinc/04/81/30/1190048130.db2.gz JRSWIRORQFQWMQ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409568318 1190048137 /nfs/dbraw/zinc/04/81/37/1190048137.db2.gz JRSWIRORQFQWMQ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409568318 1190048144 /nfs/dbraw/zinc/04/81/44/1190048144.db2.gz JRSWIRORQFQWMQ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001272465860 1190836948 /nfs/dbraw/zinc/83/69/48/1190836948.db2.gz MBHXOVRIDQYFJQ-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001484683422 1191469962 /nfs/dbraw/zinc/46/99/62/1191469962.db2.gz FIZVJCPEYOOVSV-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001485442809 1191786717 /nfs/dbraw/zinc/78/67/17/1191786717.db2.gz BJSXDVUCJOZGTP-IEBWSBKVSA-N 2 1 349.519 2.177 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246886 1193773144 /nfs/dbraw/zinc/77/31/44/1193773144.db2.gz ULZHRCNNDUIVRV-INIZCTEOSA-N 2 1 348.516 2.288 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001410310129 1197672895 /nfs/dbraw/zinc/67/28/95/1197672895.db2.gz JNILSYRDXJHOAG-XHSDSOJGSA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001273261257 1197849249 /nfs/dbraw/zinc/84/92/49/1197849249.db2.gz SKMXOEPAKTWTBR-MJGOQNOKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001410927658 1198592442 /nfs/dbraw/zinc/59/24/42/1198592442.db2.gz UZGLHRDMQIDVOD-BZUAXINKSA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901066 1199813237 /nfs/dbraw/zinc/81/32/37/1199813237.db2.gz XWSFBLHALAMHIP-PVAVHDDUSA-N 2 1 335.879 2.483 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260383 1201439292 /nfs/dbraw/zinc/43/92/92/1201439292.db2.gz CAGWCSQPWASKMI-IRXDYDNUSA-N 2 1 330.476 2.405 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260383 1201439295 /nfs/dbraw/zinc/43/92/95/1201439295.db2.gz CAGWCSQPWASKMI-IRXDYDNUSA-N 2 1 330.476 2.405 10 30 EEEEMP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCO1 ZINC000883189127 1202028344 /nfs/dbraw/zinc/02/83/44/1202028344.db2.gz YRJKAYCUSYCUNU-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001274732126 1205145677 /nfs/dbraw/zinc/14/56/77/1205145677.db2.gz SPAUYFPFELNDRW-VDGAXYAQSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001274732126 1205145678 /nfs/dbraw/zinc/14/56/78/1205145678.db2.gz SPAUYFPFELNDRW-VDGAXYAQSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCC2)C1 ZINC001275242843 1205289475 /nfs/dbraw/zinc/28/94/75/1205289475.db2.gz GNCUBKBFHITCJF-ACBHZAAOSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCC2)C1 ZINC001275242843 1205289476 /nfs/dbraw/zinc/28/94/76/1205289476.db2.gz GNCUBKBFHITCJF-ACBHZAAOSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001275573940 1205423452 /nfs/dbraw/zinc/42/34/52/1205423452.db2.gz KOWHDTBELZGEOZ-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001275573940 1205423453 /nfs/dbraw/zinc/42/34/53/1205423453.db2.gz KOWHDTBELZGEOZ-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001275573940 1205423455 /nfs/dbraw/zinc/42/34/55/1205423455.db2.gz KOWHDTBELZGEOZ-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001275573940 1205423456 /nfs/dbraw/zinc/42/34/56/1205423456.db2.gz KOWHDTBELZGEOZ-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC#Cc1ccccc1 ZINC001275944928 1205599126 /nfs/dbraw/zinc/59/91/26/1205599126.db2.gz JRAMCAWGMDIXAF-SFHVURJKSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC#Cc1ccccc1 ZINC001275944928 1205599127 /nfs/dbraw/zinc/59/91/27/1205599127.db2.gz JRAMCAWGMDIXAF-SFHVURJKSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCCn1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)nn1 ZINC000903793150 1241985752 /nfs/dbraw/zinc/98/57/52/1241985752.db2.gz OWUSFZVQTIIPFL-UHFFFAOYSA-N 2 1 325.460 2.347 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440495 1291311391 /nfs/dbraw/zinc/31/13/91/1291311391.db2.gz LILCHQKEAACYKR-IEBWSBKVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490440495 1291311401 /nfs/dbraw/zinc/31/14/01/1291311401.db2.gz LILCHQKEAACYKR-IEBWSBKVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001490440495 1291311410 /nfs/dbraw/zinc/31/14/10/1291311410.db2.gz LILCHQKEAACYKR-IEBWSBKVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001276803263 1297959702 /nfs/dbraw/zinc/95/97/02/1297959702.db2.gz YHWHQTQVGYZWSD-FUHWJXTLSA-N 2 1 348.491 2.143 10 30 EEEEMP C#CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001277541641 1303862418 /nfs/dbraw/zinc/86/24/18/1303862418.db2.gz ITEXVQVZMDLIDX-RBUKOAKNSA-N 2 1 327.472 2.331 10 30 EEEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001278550566 1317211540 /nfs/dbraw/zinc/21/15/40/1317211540.db2.gz UOMPCAFZZVSBST-QFBILLFUSA-N 2 1 330.476 2.158 10 30 EEEEMP CC[C@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001265000920 1322847770 /nfs/dbraw/zinc/84/77/70/1322847770.db2.gz IKPVHNXNBGHPDH-GOSISDBHSA-N 2 1 349.906 2.470 10 30 EEEEMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001266197974 1323759944 /nfs/dbraw/zinc/75/99/44/1323759944.db2.gz UCKUKBBLOQSEIJ-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001266197974 1323759946 /nfs/dbraw/zinc/75/99/46/1323759946.db2.gz UCKUKBBLOQSEIJ-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001282628262 1325755087 /nfs/dbraw/zinc/75/50/87/1325755087.db2.gz AFEOLROJBADBKV-UHFFFAOYSA-N 2 1 330.476 2.404 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283145343 1325934013 /nfs/dbraw/zinc/93/40/13/1325934013.db2.gz DZFAKEIRYXYDRG-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001284072699 1326393931 /nfs/dbraw/zinc/39/39/31/1326393931.db2.gz UDBSWBLCQZKOKR-UYAOXDASSA-N 2 1 331.504 2.389 10 30 EEEEMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001284774528 1326707309 /nfs/dbraw/zinc/70/73/09/1326707309.db2.gz WDPIGOVFSFRLTL-CSODTCANSA-N 2 1 348.450 2.144 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001284928658 1326780422 /nfs/dbraw/zinc/78/04/22/1326780422.db2.gz FHJGOQVWHYYGSA-HNNXBMFYSA-N 2 1 346.475 2.453 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001284928658 1326780425 /nfs/dbraw/zinc/78/04/25/1326780425.db2.gz FHJGOQVWHYYGSA-HNNXBMFYSA-N 2 1 346.475 2.453 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323443308 1333465235 /nfs/dbraw/zinc/46/52/35/1333465235.db2.gz QQVTUXRFVHYMPU-IBGZPJMESA-N 2 1 339.483 2.149 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001323733388 1333526811 /nfs/dbraw/zinc/52/68/11/1333526811.db2.gz HSVMIDHJNYFDJV-FQEVSTJZSA-N 2 1 343.515 2.055 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324879936 1333779397 /nfs/dbraw/zinc/77/93/97/1333779397.db2.gz HFRNQFKZGLXHBT-GOSISDBHSA-N 2 1 333.520 2.350 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325416203 1333882345 /nfs/dbraw/zinc/88/23/45/1333882345.db2.gz KWDRXYMFVMNOOV-GJZGRUSLSA-N 2 1 334.464 2.143 10 30 EEEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001325707869 1333944828 /nfs/dbraw/zinc/94/48/28/1333944828.db2.gz FKRREJNDQHMPCM-QGZVFWFLSA-N 2 1 335.879 2.309 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225214 1334048179 /nfs/dbraw/zinc/04/81/79/1334048179.db2.gz SQSGAHXFUGVQMI-WMLDXEAASA-N 2 1 346.500 2.042 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440428 1334651376 /nfs/dbraw/zinc/65/13/76/1334651376.db2.gz IAICGJRMYLPUMV-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440428 1334651381 /nfs/dbraw/zinc/65/13/81/1334651381.db2.gz IAICGJRMYLPUMV-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001329440428 1334651387 /nfs/dbraw/zinc/65/13/87/1334651387.db2.gz IAICGJRMYLPUMV-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001329440428 1334651390 /nfs/dbraw/zinc/65/13/90/1334651390.db2.gz IAICGJRMYLPUMV-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001332031680 1335710552 /nfs/dbraw/zinc/71/05/52/1335710552.db2.gz YPHOYRUFCABICE-LSDHHAIUSA-N 2 1 332.448 2.039 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001665829200 1355396786 /nfs/dbraw/zinc/39/67/86/1355396786.db2.gz URIVEUMFOKVQSS-QZTJIDSGSA-N 2 1 347.890 2.270 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567028322 1342683463 /nfs/dbraw/zinc/68/34/63/1342683463.db2.gz KICVFZBZNGDUNZ-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198450 1342710145 /nfs/dbraw/zinc/71/01/45/1342710145.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567198450 1342710148 /nfs/dbraw/zinc/71/01/48/1342710148.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567198450 1342710150 /nfs/dbraw/zinc/71/01/50/1342710150.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001569562611 1342897535 /nfs/dbraw/zinc/89/75/35/1342897535.db2.gz UDMRWZSNTQXZQH-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCC1 ZINC001569610718 1342908050 /nfs/dbraw/zinc/90/80/50/1342908050.db2.gz WOWIYNZMTKFUDI-OALUTQOASA-N 2 1 333.520 2.396 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571060523 1343157608 /nfs/dbraw/zinc/15/76/08/1343157608.db2.gz YJVKYQKQBZLFMQ-QRQLOZEOSA-N 2 1 339.499 2.413 10 30 EEEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571307791 1343176577 /nfs/dbraw/zinc/17/65/77/1343176577.db2.gz HLMYFJRPXAJYBO-HIFRSBDPSA-N 2 1 338.883 2.381 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001676681475 1357180218 /nfs/dbraw/zinc/18/02/18/1357180218.db2.gz ZELWFSVJEGQXNQ-RHSMWYFYSA-N 2 1 325.416 2.036 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676820423 1357213155 /nfs/dbraw/zinc/21/31/55/1357213155.db2.gz KXVHUNVRSQIXNC-NLWGTHIKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676820423 1357213158 /nfs/dbraw/zinc/21/31/58/1357213158.db2.gz KXVHUNVRSQIXNC-NLWGTHIKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001677404073 1357328393 /nfs/dbraw/zinc/32/83/93/1357328393.db2.gz ZUUYIAJZJQDCOC-NKELODKYSA-N 2 1 349.519 2.175 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001649474827 1353526125 /nfs/dbraw/zinc/52/61/25/1353526125.db2.gz QYVPYEPSHXHECN-SFHVURJKSA-N 2 1 329.488 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC=C)CC2 ZINC001661065669 1354583722 /nfs/dbraw/zinc/58/37/22/1354583722.db2.gz CPSXVNNYFFMXGV-ZWKOTPCHSA-N 2 1 329.488 2.021 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC=C)CC2 ZINC001661065669 1354583723 /nfs/dbraw/zinc/58/37/23/1354583723.db2.gz CPSXVNNYFFMXGV-ZWKOTPCHSA-N 2 1 329.488 2.021 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001661890224 1354719266 /nfs/dbraw/zinc/71/92/66/1354719266.db2.gz DCQJMKKYEYWNLE-WOJBJXKFSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001661890224 1354719270 /nfs/dbraw/zinc/71/92/70/1354719270.db2.gz DCQJMKKYEYWNLE-WOJBJXKFSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC001666340949 1355513111 /nfs/dbraw/zinc/51/31/11/1355513111.db2.gz GDNBYZHOFAOEMF-GOSISDBHSA-N 2 1 338.455 2.346 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001666563391 1355545703 /nfs/dbraw/zinc/54/57/03/1355545703.db2.gz MUVKPSFJVACNTO-APWZRJJASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001666563391 1355545707 /nfs/dbraw/zinc/54/57/07/1355545707.db2.gz MUVKPSFJVACNTO-APWZRJJASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001672929696 1356617498 /nfs/dbraw/zinc/61/74/98/1356617498.db2.gz PUKNBEMJUIXPIB-UXHICEINSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001672929696 1356617500 /nfs/dbraw/zinc/61/75/00/1356617500.db2.gz PUKNBEMJUIXPIB-UXHICEINSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001672929696 1356617503 /nfs/dbraw/zinc/61/75/03/1356617503.db2.gz PUKNBEMJUIXPIB-UXHICEINSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001672994933 1356628529 /nfs/dbraw/zinc/62/85/29/1356628529.db2.gz NRYCYRYAXNQABI-BHIYHBOVSA-N 2 1 327.472 2.187 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674749409 1356889107 /nfs/dbraw/zinc/88/91/07/1356889107.db2.gz ZAOZJCPNJVFJHM-CABCVRRESA-N 2 1 327.432 2.330 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C/C=C\Cl)CC1 ZINC001699785456 1405483121 /nfs/dbraw/zinc/48/31/21/1405483121.db2.gz PFNPNUGMCCDFAW-POHAHGRESA-N 2 1 325.884 2.007 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743888 779231232 /nfs/dbraw/zinc/23/12/32/779231232.db2.gz DUNLSOUDOIKLPH-CVEARBPZSA-N 2 1 339.911 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743888 779231238 /nfs/dbraw/zinc/23/12/38/779231238.db2.gz DUNLSOUDOIKLPH-CVEARBPZSA-N 2 1 339.911 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166932 780064330 /nfs/dbraw/zinc/06/43/30/780064330.db2.gz MJENWWRNEWAQMQ-AWEZNQCLSA-N 2 1 325.884 2.051 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166932 780064335 /nfs/dbraw/zinc/06/43/35/780064335.db2.gz MJENWWRNEWAQMQ-AWEZNQCLSA-N 2 1 325.884 2.051 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910389 786603996 /nfs/dbraw/zinc/60/39/96/786603996.db2.gz OSNLGWBJNJCPBV-ULQDDVLXSA-N 2 1 335.492 2.319 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910389 786604003 /nfs/dbraw/zinc/60/40/03/786604003.db2.gz OSNLGWBJNJCPBV-ULQDDVLXSA-N 2 1 335.492 2.319 10 30 EEEEMP C#CCC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787662 /nfs/dbraw/zinc/78/76/62/1125787662.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787666 /nfs/dbraw/zinc/78/76/66/1125787666.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787671 /nfs/dbraw/zinc/78/76/71/1125787671.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP 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ZINC001499477302 1112307395 /nfs/dbraw/zinc/30/73/95/1112307395.db2.gz BKAYDDMOFKOHAH-HXUWFJFHSA-N 2 1 345.531 2.446 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162049 1112648657 /nfs/dbraw/zinc/64/86/57/1112648657.db2.gz OJUVNJWBJMKJDU-QGZVFWFLSA-N 2 1 327.900 2.395 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153950 1113217556 /nfs/dbraw/zinc/21/75/56/1113217556.db2.gz YQTCIRUCWPGYDK-APWZRJJASA-N 2 1 342.487 2.083 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001501854519 1113497752 /nfs/dbraw/zinc/49/77/52/1113497752.db2.gz VILOFDULYVMIFP-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001502404831 1113670168 /nfs/dbraw/zinc/67/01/68/1113670168.db2.gz NXHREIUFQVNNHR-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001502404831 1113670171 /nfs/dbraw/zinc/67/01/71/1113670171.db2.gz 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C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001568220033 1124363587 /nfs/dbraw/zinc/36/35/87/1124363587.db2.gz IHEVUZLGSGTWDB-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C#N)c1 ZINC001568747547 1124760202 /nfs/dbraw/zinc/76/02/02/1124760202.db2.gz LNBHPTXACBLTIA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001565871179 1125445930 /nfs/dbraw/zinc/44/59/30/1125445930.db2.gz ABPWTAKCTFNVPQ-LNLFQRSKSA-N 2 1 331.504 2.291 10 30 EEEEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436347 468585374 /nfs/dbraw/zinc/58/53/74/468585374.db2.gz DFMZMPSYQAEVCQ-RBUKOAKNSA-N 2 1 342.487 2.378 10 30 EEEEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437211 468586356 /nfs/dbraw/zinc/58/63/56/468586356.db2.gz JFRXRYCHTFTACX-KBAYOESNSA-N 2 1 328.460 2.349 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 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/nfs/dbraw/zinc/10/36/52/1176103652.db2.gz PEHLJHFRHKGBCY-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCc1ccc(C)cc1 ZINC001266285168 1176103656 /nfs/dbraw/zinc/10/36/56/1176103656.db2.gz PEHLJHFRHKGBCY-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C=C(C)C[N@@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001691217304 1177720730 /nfs/dbraw/zinc/72/07/30/1177720730.db2.gz CYXXVHRODLVZGW-UHFFFAOYSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001267371158 1178871007 /nfs/dbraw/zinc/87/10/07/1178871007.db2.gz WMIKLHGTPOZUQI-PXNSSMCTSA-N 2 1 345.462 2.279 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001267653040 1180104847 /nfs/dbraw/zinc/10/48/47/1180104847.db2.gz JRSPXDLQRYZSHK-DLBZAZTESA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267653040 1180104850 /nfs/dbraw/zinc/10/48/50/1180104850.db2.gz JRSPXDLQRYZSHK-DLBZAZTESA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267653040 1180104853 /nfs/dbraw/zinc/10/48/53/1180104853.db2.gz JRSPXDLQRYZSHK-DLBZAZTESA-N 2 1 330.476 2.200 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC(C)C)C1 ZINC001267658093 1180115024 /nfs/dbraw/zinc/11/50/24/1180115024.db2.gz LCQMLRRJGXKDFA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC(C)C)C1 ZINC001267658093 1180115033 /nfs/dbraw/zinc/11/50/33/1180115033.db2.gz LCQMLRRJGXKDFA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC(C)C)C1 ZINC001267658093 1180115038 /nfs/dbraw/zinc/11/50/38/1180115038.db2.gz LCQMLRRJGXKDFA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC(C)C)C1 ZINC001267658093 1180115042 /nfs/dbraw/zinc/11/50/42/1180115042.db2.gz LCQMLRRJGXKDFA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001268201588 1181999854 /nfs/dbraw/zinc/99/98/54/1181999854.db2.gz SQZPRHSANCCPJR-UHFFFAOYSA-N 2 1 345.531 2.302 10 30 EEEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001269552405 1184378321 /nfs/dbraw/zinc/37/83/21/1184378321.db2.gz CGARBXQATXIUBY-OALUTQOASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552405 1184378327 /nfs/dbraw/zinc/37/83/27/1184378327.db2.gz CGARBXQATXIUBY-OALUTQOASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552405 1184378331 /nfs/dbraw/zinc/37/83/31/1184378331.db2.gz CGARBXQATXIUBY-OALUTQOASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001269592936 1184416882 /nfs/dbraw/zinc/41/68/82/1184416882.db2.gz IEXLZMCERAFLOX-IXDOHACOSA-N 2 1 325.472 2.308 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCc1ccsc1 ZINC001482295659 1185158295 /nfs/dbraw/zinc/15/82/95/1185158295.db2.gz DQERCEVVOCOXRJ-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCc1ccsc1 ZINC001482295659 1185158301 /nfs/dbraw/zinc/15/83/01/1185158301.db2.gz DQERCEVVOCOXRJ-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272712 1185313191 /nfs/dbraw/zinc/31/31/91/1185313191.db2.gz AOFRJYDDQFDBRN-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455841 1185873340 /nfs/dbraw/zinc/87/33/40/1185873340.db2.gz JPJHIYHRBNMOQY-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001482537420 1186589147 /nfs/dbraw/zinc/58/91/47/1186589147.db2.gz CHLQGHOKDPOXIA-UONOGXRCSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001272079163 1187419114 /nfs/dbraw/zinc/41/91/14/1187419114.db2.gz YXGHJJRODIKNTA-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP C[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409660220 1190157859 /nfs/dbraw/zinc/15/78/59/1190157859.db2.gz PGYIHDXBIGDUHT-LSDHHAIUSA-N 2 1 339.443 2.097 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001483988350 1191144085 /nfs/dbraw/zinc/14/40/85/1191144085.db2.gz YCVNWMPMFXJWDD-UHFFFAOYSA-N 2 1 342.487 2.343 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185999 1193726362 /nfs/dbraw/zinc/72/63/62/1193726362.db2.gz FUKSREMYAIWBSE-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185999 1193726365 /nfs/dbraw/zinc/72/63/65/1193726365.db2.gz FUKSREMYAIWBSE-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185999 1193726368 /nfs/dbraw/zinc/72/63/68/1193726368.db2.gz FUKSREMYAIWBSE-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001273004452 1194310879 /nfs/dbraw/zinc/31/08/79/1194310879.db2.gz VGKOOSBVCAQJGN-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001274960617 1205217613 /nfs/dbraw/zinc/21/76/13/1205217613.db2.gz RDUFPGWNSUTELX-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001274960617 1205217616 /nfs/dbraw/zinc/21/76/16/1205217616.db2.gz RDUFPGWNSUTELX-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001274960617 1205217623 /nfs/dbraw/zinc/21/76/23/1205217623.db2.gz RDUFPGWNSUTELX-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001275573283 1205422207 /nfs/dbraw/zinc/42/22/07/1205422207.db2.gz AEQHGOJDADYRJF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001275573283 1205422208 /nfs/dbraw/zinc/42/22/08/1205422208.db2.gz AEQHGOJDADYRJF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001275573283 1205422210 /nfs/dbraw/zinc/42/22/10/1205422210.db2.gz AEQHGOJDADYRJF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001275573283 1205422212 /nfs/dbraw/zinc/42/22/12/1205422212.db2.gz AEQHGOJDADYRJF-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001275676175 1205478731 /nfs/dbraw/zinc/47/87/31/1205478731.db2.gz AFIIQWBUMJLRDI-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCOCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214394 1258779980 /nfs/dbraw/zinc/77/99/80/1258779980.db2.gz PUHIKTQOCKUMHJ-SFHVURJKSA-N 2 1 349.519 2.036 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883919 1292224575 /nfs/dbraw/zinc/22/45/75/1292224575.db2.gz BBVXMXNVDDFKMC-GOSISDBHSA-N 2 1 339.483 2.112 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccccc1 ZINC001280883942 1305780647 /nfs/dbraw/zinc/78/06/47/1305780647.db2.gz SVEAOJIBTITYCP-UHFFFAOYSA-N 2 1 329.488 2.159 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1 ZINC001280883942 1305780658 /nfs/dbraw/zinc/78/06/58/1305780658.db2.gz SVEAOJIBTITYCP-UHFFFAOYSA-N 2 1 329.488 2.159 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1 ZINC001280883942 1305780667 /nfs/dbraw/zinc/78/06/67/1305780667.db2.gz SVEAOJIBTITYCP-UHFFFAOYSA-N 2 1 329.488 2.159 10 30 EEEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419674 1310181500 /nfs/dbraw/zinc/18/15/00/1310181500.db2.gz DOYVZNJSNWRQST-APWZRJJASA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419674 1310181509 /nfs/dbraw/zinc/18/15/09/1310181509.db2.gz DOYVZNJSNWRQST-APWZRJJASA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667566 1317608064 /nfs/dbraw/zinc/60/80/64/1317608064.db2.gz RSAQXLGIFNXTJV-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001264705462 1322788745 /nfs/dbraw/zinc/78/87/45/1322788745.db2.gz QXXGNULIGHEGFR-XLIONFOSSA-N 2 1 339.483 2.101 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001264705462 1322788747 /nfs/dbraw/zinc/78/87/47/1322788747.db2.gz QXXGNULIGHEGFR-XLIONFOSSA-N 2 1 339.483 2.101 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC#Cc1ccccc1 ZINC001264705462 1322788750 /nfs/dbraw/zinc/78/87/50/1322788750.db2.gz QXXGNULIGHEGFR-XLIONFOSSA-N 2 1 339.483 2.101 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC#Cc1ccccc1 ZINC001264705462 1322788753 /nfs/dbraw/zinc/78/87/53/1322788753.db2.gz QXXGNULIGHEGFR-XLIONFOSSA-N 2 1 339.483 2.101 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265429054 1323149962 /nfs/dbraw/zinc/14/99/62/1323149962.db2.gz KZXGRYOSDMINEY-VQTJNVASSA-N 2 1 339.483 2.101 10 30 EEEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722918 1323986294 /nfs/dbraw/zinc/98/62/94/1323986294.db2.gz PBXUFFBYCWIJSB-MRXNPFEDSA-N 2 1 333.451 2.449 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281088257 1324758751 /nfs/dbraw/zinc/75/87/51/1324758751.db2.gz RIGUXFQKSXJVEQ-FUHWJXTLSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957202 1325535442 /nfs/dbraw/zinc/53/54/42/1325535442.db2.gz PMTNMNIJKJCFNX-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957202 1325535448 /nfs/dbraw/zinc/53/54/48/1325535448.db2.gz PMTNMNIJKJCFNX-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283618078 1326164874 /nfs/dbraw/zinc/16/48/74/1326164874.db2.gz OTPNCSWESOMLBV-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283618078 1326164876 /nfs/dbraw/zinc/16/48/76/1326164876.db2.gz OTPNCSWESOMLBV-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1CC ZINC001316737840 1331866621 /nfs/dbraw/zinc/86/66/21/1331866621.db2.gz BUZGGTXQUTXASP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1CC ZINC001316737840 1331866626 /nfs/dbraw/zinc/86/66/26/1331866626.db2.gz BUZGGTXQUTXASP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317041335 1332056179 /nfs/dbraw/zinc/05/61/79/1332056179.db2.gz VAFQOGKSQPZCBE-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041335 1332056182 /nfs/dbraw/zinc/05/61/82/1332056182.db2.gz VAFQOGKSQPZCBE-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041335 1332056186 /nfs/dbraw/zinc/05/61/86/1332056186.db2.gz VAFQOGKSQPZCBE-AZUAARDMSA-N 2 1 341.499 2.483 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C[NH+](C)C1CCC1 ZINC001317480548 1332259066 /nfs/dbraw/zinc/25/90/66/1332259066.db2.gz XUUIEFMPUFBIHO-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C[NH+](C)C1CCC1 ZINC001317480548 1332259070 /nfs/dbraw/zinc/25/90/70/1332259070.db2.gz XUUIEFMPUFBIHO-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001317480548 1332259074 /nfs/dbraw/zinc/25/90/74/1332259074.db2.gz XUUIEFMPUFBIHO-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001317480548 1332259078 /nfs/dbraw/zinc/25/90/78/1332259078.db2.gz XUUIEFMPUFBIHO-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840993 1332427952 /nfs/dbraw/zinc/42/79/52/1332427952.db2.gz YPGSIFUKURXHCH-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317840993 1332427953 /nfs/dbraw/zinc/42/79/53/1332427953.db2.gz YPGSIFUKURXHCH-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317840993 1332427956 /nfs/dbraw/zinc/42/79/56/1332427956.db2.gz YPGSIFUKURXHCH-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001323657802 1333510483 /nfs/dbraw/zinc/51/04/83/1333510483.db2.gz DQVFUPYWBFPXLZ-XVLXNVKGSA-N 2 1 331.504 2.384 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001323705020 1333520486 /nfs/dbraw/zinc/52/04/86/1333520486.db2.gz NGZCJFJUMPYBFB-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CCC2CC2)CC1 ZINC001324398079 1333674417 /nfs/dbraw/zinc/67/44/17/1333674417.db2.gz YEKJRZSVSVRHKS-VQTJNVASSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001324835017 1333769735 /nfs/dbraw/zinc/76/97/35/1333769735.db2.gz VNEKELCHDCYHOW-QUCCMNQESA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974951 1333800586 /nfs/dbraw/zinc/80/05/86/1333800586.db2.gz CQXXVCDXMDCYMJ-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001325656345 1333934354 /nfs/dbraw/zinc/93/43/54/1333934354.db2.gz NYPZSOJTBNIWNI-VJANTYMQSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001330673438 1334885476 /nfs/dbraw/zinc/88/54/76/1334885476.db2.gz CISVAFBEYUWPDK-JCNLHEQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001333366982 1336022311 /nfs/dbraw/zinc/02/23/11/1336022311.db2.gz QSESHVDAJNLJOX-UHFFFAOYSA-N 2 1 349.519 2.059 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566905153 1342649679 /nfs/dbraw/zinc/64/96/79/1342649679.db2.gz NQGCXTIFFQKWKT-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(I)s1 ZINC001620953869 1349878519 /nfs/dbraw/zinc/87/85/19/1349878519.db2.gz AKCLROOHOUMMAI-UHFFFAOYSA-N 2 1 348.253 2.397 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(I)s1 ZINC001620953869 1349878520 /nfs/dbraw/zinc/87/85/20/1349878520.db2.gz AKCLROOHOUMMAI-UHFFFAOYSA-N 2 1 348.253 2.397 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C\CC)CC1 ZINC001656109129 1354202430 /nfs/dbraw/zinc/20/24/30/1354202430.db2.gz FRGXEPQRCZVMLX-RURPWVQCSA-N 2 1 331.504 2.221 10 30 EEEEMP C[NH+](C)CCCC(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001660281358 1354430406 /nfs/dbraw/zinc/43/04/06/1354430406.db2.gz AVGBNGZNMQPOHS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCC1CCCCC1 ZINC001663388886 1354956301 /nfs/dbraw/zinc/95/63/01/1354956301.db2.gz KMOZKTKGGAZEAB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC1CCCCC1 ZINC001663388886 1354956307 /nfs/dbraw/zinc/95/63/07/1354956307.db2.gz KMOZKTKGGAZEAB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC1CCCCC1 ZINC001663388886 1354956312 /nfs/dbraw/zinc/95/63/12/1354956312.db2.gz KMOZKTKGGAZEAB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC1CCCCC1 ZINC001663388886 1354956314 /nfs/dbraw/zinc/95/63/14/1354956314.db2.gz KMOZKTKGGAZEAB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001666350667 1355515404 /nfs/dbraw/zinc/51/54/04/1355515404.db2.gz GLSFMRAAKFKFMC-HXUWFJFHSA-N 2 1 335.451 2.329 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001667413127 1355737195 /nfs/dbraw/zinc/73/71/95/1355737195.db2.gz KKCQKVNLQODKJX-SFHVURJKSA-N 2 1 339.499 2.250 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1c(C)cccc1C ZINC001667580290 1355762621 /nfs/dbraw/zinc/76/26/21/1355762621.db2.gz BTOWAAIXULQOHF-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1c(C)cccc1C ZINC001667580290 1355762626 /nfs/dbraw/zinc/76/26/26/1355762626.db2.gz BTOWAAIXULQOHF-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001667580290 1355762630 /nfs/dbraw/zinc/76/26/30/1355762630.db2.gz BTOWAAIXULQOHF-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001667580290 1355762634 /nfs/dbraw/zinc/76/26/34/1355762634.db2.gz BTOWAAIXULQOHF-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771888 1355812612 /nfs/dbraw/zinc/81/26/12/1355812612.db2.gz USHIAQXHJSHUNZ-VQTJNVASSA-N 2 1 341.499 2.253 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001672916227 1356614067 /nfs/dbraw/zinc/61/40/67/1356614067.db2.gz OJFYSDBUQLFHDW-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001674510205 1356852379 /nfs/dbraw/zinc/85/23/79/1356852379.db2.gz GJQSNHJDQXZYHY-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792018 1405067796 /nfs/dbraw/zinc/06/77/96/1405067796.db2.gz JDKPIRNFNANELY-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698792018 1405067803 /nfs/dbraw/zinc/06/78/03/1405067803.db2.gz JDKPIRNFNANELY-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001698792018 1405067813 /nfs/dbraw/zinc/06/78/13/1405067813.db2.gz JDKPIRNFNANELY-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595844 /nfs/dbraw/zinc/59/58/44/779595844.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595850 /nfs/dbraw/zinc/59/58/50/779595850.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595854 /nfs/dbraw/zinc/59/58/54/779595854.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000917577975 798285398 /nfs/dbraw/zinc/28/53/98/798285398.db2.gz RJRHCRJLCBZWQG-SFHVURJKSA-N 2 1 334.508 2.038 10 30 EEEEMP N#Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000922239697 800001670 /nfs/dbraw/zinc/00/16/70/800001670.db2.gz KKEMWZVZMKJFDN-QGZVFWFLSA-N 2 1 327.453 2.476 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001566519888 1125692282 /nfs/dbraw/zinc/69/22/82/1125692282.db2.gz JHKOLSJZPACKFA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1C#N ZINC001566519888 1125692284 /nfs/dbraw/zinc/69/22/84/1125692284.db2.gz JHKOLSJZPACKFA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001566519888 1125692288 /nfs/dbraw/zinc/69/22/88/1125692288.db2.gz JHKOLSJZPACKFA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566550815 1125721829 /nfs/dbraw/zinc/72/18/29/1125721829.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566550815 1125721837 /nfs/dbraw/zinc/72/18/37/1125721837.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566550815 1125721842 /nfs/dbraw/zinc/72/18/42/1125721842.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001439243058 1091893416 /nfs/dbraw/zinc/89/34/16/1091893416.db2.gz UGYZJFAVDFLEBU-QANKJYHBSA-N 2 1 346.450 2.022 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC001440189233 1093252788 /nfs/dbraw/zinc/25/27/88/1093252788.db2.gz IOFZZNRWUOAICJ-RTBURBONSA-N 2 1 340.471 2.075 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001448681490 1093747290 /nfs/dbraw/zinc/74/72/90/1093747290.db2.gz KVNZGROCZLSNSM-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001448681490 1093747292 /nfs/dbraw/zinc/74/72/92/1093747292.db2.gz KVNZGROCZLSNSM-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001479667635 1098714386 /nfs/dbraw/zinc/71/43/86/1098714386.db2.gz WIURMCARACNJMN-SQNIBIBYSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001480022030 1099502449 /nfs/dbraw/zinc/50/24/49/1099502449.db2.gz UTLJXGMGNNGDAL-IEBWSBKVSA-N 2 1 331.504 2.149 10 30 EEEEMP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001444739735 1099615461 /nfs/dbraw/zinc/61/54/61/1099615461.db2.gz BEHZYDPOKSNWLX-PBHICJAKSA-N 2 1 348.516 2.334 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001446475103 1100901198 /nfs/dbraw/zinc/90/11/98/1100901198.db2.gz FVLXCHZMWDZYAJ-UHFFFAOYSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001446475103 1100901203 /nfs/dbraw/zinc/90/12/03/1100901203.db2.gz FVLXCHZMWDZYAJ-UHFFFAOYSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001495480576 1101189291 /nfs/dbraw/zinc/18/92/91/1101189291.db2.gz YROBXSXRPWPRHA-XLAORIBOSA-N 2 1 337.508 2.079 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001495480576 1101189298 /nfs/dbraw/zinc/18/92/98/1101189298.db2.gz YROBXSXRPWPRHA-XLAORIBOSA-N 2 1 337.508 2.079 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)C1 ZINC001497885517 1103255672 /nfs/dbraw/zinc/25/56/72/1103255672.db2.gz SFTCFOLHECGJLA-QUCCMNQESA-N 2 1 341.499 2.254 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001447812903 1103374949 /nfs/dbraw/zinc/37/49/49/1103374949.db2.gz YLTDWHZLFYKPHW-MQBCKMQZSA-N 2 1 345.890 2.436 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145875 1113214922 /nfs/dbraw/zinc/21/49/22/1113214922.db2.gz GWDRSZZSZDFJRQ-QFBILLFUSA-N 2 1 342.487 2.084 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001501672427 1113426974 /nfs/dbraw/zinc/42/69/74/1113426974.db2.gz FDTFSAXDBVEMPO-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001501672427 1113426975 /nfs/dbraw/zinc/42/69/75/1113426975.db2.gz FDTFSAXDBVEMPO-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001502423484 1113676932 /nfs/dbraw/zinc/67/69/32/1113676932.db2.gz GTTBLCZQGCMYPH-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001506727793 1114838201 /nfs/dbraw/zinc/83/82/01/1114838201.db2.gz HEOSPWRUXOHEOD-FQEVSTJZSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001506727797 1114838348 /nfs/dbraw/zinc/83/83/48/1114838348.db2.gz HEOSPWRUXOHEOD-HXUWFJFHSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745499 1114857578 /nfs/dbraw/zinc/85/75/78/1114857578.db2.gz FROTYFGXWNICKW-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745499 1114857581 /nfs/dbraw/zinc/85/75/81/1114857581.db2.gz FROTYFGXWNICKW-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745499 1114857584 /nfs/dbraw/zinc/85/75/84/1114857584.db2.gz FROTYFGXWNICKW-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001506745499 1114857588 /nfs/dbraw/zinc/85/75/88/1114857588.db2.gz FROTYFGXWNICKW-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001506861655 1114927868 /nfs/dbraw/zinc/92/78/68/1114927868.db2.gz WGMRPFPIWVDVEI-ARFHVFGLSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001568410131 1124479086 /nfs/dbraw/zinc/47/90/86/1124479086.db2.gz RLQXNEOBFCZEJA-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001568640854 1124654048 /nfs/dbraw/zinc/65/40/48/1124654048.db2.gz QPPMYLQKPFNQAR-CQSZACIVSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001569342355 1125242617 /nfs/dbraw/zinc/24/26/17/1125242617.db2.gz GZBVZVTYGXMEPC-WOJBJXKFSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001569342355 1125242627 /nfs/dbraw/zinc/24/26/27/1125242627.db2.gz GZBVZVTYGXMEPC-WOJBJXKFSA-N 2 1 341.499 2.358 10 30 EEEEMP Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000330201466 465566852 /nfs/dbraw/zinc/56/68/52/465566852.db2.gz XVJLHIKSTXBHGP-INIZCTEOSA-N 2 1 342.447 2.303 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1F ZINC000594438869 468587522 /nfs/dbraw/zinc/58/75/22/468587522.db2.gz QGBBGFQGINDDPS-MRXNPFEDSA-N 2 1 343.406 2.347 10 30 EEEEMP C[C@@H](c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1)[NH+]1CCOCC1 ZINC000594439770 468588182 /nfs/dbraw/zinc/58/81/82/468588182.db2.gz ZJNCGELHOUZBJZ-YJBOKZPZSA-N 2 1 344.459 2.430 10 30 EEEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595312452 468809153 /nfs/dbraw/zinc/80/91/53/468809153.db2.gz MUKCTEVISUYRLR-HXUWFJFHSA-N 2 1 326.488 2.203 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595312452 468809158 /nfs/dbraw/zinc/80/91/58/468809158.db2.gz MUKCTEVISUYRLR-HXUWFJFHSA-N 2 1 326.488 2.203 10 30 EEEEMP C[C@@]1(C#N)CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000602536211 469354018 /nfs/dbraw/zinc/35/40/18/469354018.db2.gz RHBQRYLBGHFYEA-IBGZPJMESA-N 2 1 340.471 2.132 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262379430 685707606 /nfs/dbraw/zinc/70/76/06/685707606.db2.gz KECZCICREBAIHM-TWMKSMIVSA-N 2 1 336.524 2.182 10 30 EEEEMP C[NH+]=C(NCCc1c(C)noc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262786365 688460713 /nfs/dbraw/zinc/46/07/13/688460713.db2.gz MPEAMDTXOGOLDV-MQVJKMGUSA-N 2 1 333.480 2.014 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1C ZINC001691023660 1176508125 /nfs/dbraw/zinc/50/81/25/1176508125.db2.gz MNLMSUNLYDSUHU-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1C ZINC001691023660 1176508131 /nfs/dbraw/zinc/50/81/31/1176508131.db2.gz MNLMSUNLYDSUHU-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001691023660 1176508139 /nfs/dbraw/zinc/50/81/39/1176508139.db2.gz MNLMSUNLYDSUHU-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001691023660 1176508146 /nfs/dbraw/zinc/50/81/46/1176508146.db2.gz MNLMSUNLYDSUHU-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691101279 1177578476 /nfs/dbraw/zinc/57/84/76/1177578476.db2.gz VQAPMTHPSGAVIS-OTWHNJEPSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691101279 1177578481 /nfs/dbraw/zinc/57/84/81/1177578481.db2.gz VQAPMTHPSGAVIS-OTWHNJEPSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001691223145 1177727473 /nfs/dbraw/zinc/72/74/73/1177727473.db2.gz WKSZRIYPLOTOBC-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001691223145 1177727477 /nfs/dbraw/zinc/72/74/77/1177727477.db2.gz WKSZRIYPLOTOBC-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)Cc1cccc(F)c1 ZINC001267315801 1178742919 /nfs/dbraw/zinc/74/29/19/1178742919.db2.gz WBYAJVCHIGJSIS-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1cccc(F)c1 ZINC001267315801 1178742923 /nfs/dbraw/zinc/74/29/23/1178742923.db2.gz WBYAJVCHIGJSIS-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1cccc(F)c1 ZINC001267315801 1178742928 /nfs/dbraw/zinc/74/29/28/1178742928.db2.gz WBYAJVCHIGJSIS-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1cccc(F)c1 ZINC001267315801 1178742937 /nfs/dbraw/zinc/74/29/37/1178742937.db2.gz WBYAJVCHIGJSIS-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001267549989 1179337391 /nfs/dbraw/zinc/33/73/91/1179337391.db2.gz MUOPPUQJIXUTST-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC(C)C)C1 ZINC001267658094 1180115787 /nfs/dbraw/zinc/11/57/87/1180115787.db2.gz LCQMLRRJGXKDFA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC(C)C)C1 ZINC001267658094 1180115790 /nfs/dbraw/zinc/11/57/90/1180115790.db2.gz LCQMLRRJGXKDFA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC(C)C)C1 ZINC001267658094 1180115793 /nfs/dbraw/zinc/11/57/93/1180115793.db2.gz LCQMLRRJGXKDFA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC(C)C)C1 ZINC001267658094 1180115798 /nfs/dbraw/zinc/11/57/98/1180115798.db2.gz LCQMLRRJGXKDFA-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809220 1180563533 /nfs/dbraw/zinc/56/35/33/1180563533.db2.gz HHCXFWUJLRGWKI-OALUTQOASA-N 2 1 345.462 2.146 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268088037 1181707094 /nfs/dbraw/zinc/70/70/94/1181707094.db2.gz SHENWKCJPFLDOF-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(CC)c1 ZINC001481820711 1182749614 /nfs/dbraw/zinc/74/96/14/1182749614.db2.gz PFHDKBSCBNCPRL-UXHICEINSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(CC)c1 ZINC001481820711 1182749618 /nfs/dbraw/zinc/74/96/18/1182749618.db2.gz PFHDKBSCBNCPRL-UXHICEINSA-N 2 1 341.499 2.331 10 30 EEEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001481851437 1182801945 /nfs/dbraw/zinc/80/19/45/1182801945.db2.gz FYNCUSTZWZTXNM-QRVBRYPASA-N 2 1 329.488 2.392 10 30 EEEEMP C=C(Br)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001482046820 1183225563 /nfs/dbraw/zinc/22/55/63/1183225563.db2.gz XBQZZIYPVPDHHO-UHFFFAOYSA-N 2 1 346.313 2.065 10 30 EEEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269615183 1184438975 /nfs/dbraw/zinc/43/89/75/1184438975.db2.gz PFYOHNDZYCAHLD-OXJNMPFZSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001270512016 1185137046 /nfs/dbraw/zinc/13/70/46/1185137046.db2.gz FYNQVIWBJIKKOK-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001270512016 1185137049 /nfs/dbraw/zinc/13/70/49/1185137049.db2.gz FYNQVIWBJIKKOK-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271102082 1185886266 /nfs/dbraw/zinc/88/62/66/1185886266.db2.gz XELKZMUIRSSLER-HUUCEWRRSA-N 2 1 331.451 2.366 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892291 1186585582 /nfs/dbraw/zinc/58/55/82/1186585582.db2.gz RDDARLWGCHFEJP-INDMIFKZSA-N 2 1 333.520 2.463 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054397 1187292211 /nfs/dbraw/zinc/29/22/11/1187292211.db2.gz VJICAJCYEDCKNN-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054397 1187292215 /nfs/dbraw/zinc/29/22/15/1187292215.db2.gz VJICAJCYEDCKNN-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054397 1187292217 /nfs/dbraw/zinc/29/22/17/1187292217.db2.gz VJICAJCYEDCKNN-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272054397 1187292225 /nfs/dbraw/zinc/29/22/25/1187292225.db2.gz VJICAJCYEDCKNN-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001482842183 1187761567 /nfs/dbraw/zinc/76/15/67/1187761567.db2.gz XQHXMKXUBBZPCY-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001482842183 1187761572 /nfs/dbraw/zinc/76/15/72/1187761572.db2.gz XQHXMKXUBBZPCY-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097889 1188473313 /nfs/dbraw/zinc/47/33/13/1188473313.db2.gz NIANLDAJLGMSNS-KSQPQJEDSA-N 2 1 340.471 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001483470727 1190492974 /nfs/dbraw/zinc/49/29/74/1190492974.db2.gz BXRWRZGBVBWXJJ-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001483470727 1190492975 /nfs/dbraw/zinc/49/29/75/1190492975.db2.gz BXRWRZGBVBWXJJ-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483986691 1191143168 /nfs/dbraw/zinc/14/31/68/1191143168.db2.gz OTKXDJCLFYKGBB-ROUUACIJSA-N 2 1 333.520 2.299 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001484409056 1191337565 /nfs/dbraw/zinc/33/75/65/1191337565.db2.gz ITZBHAXEZIVRKN-IXDOHACOSA-N 2 1 325.472 2.023 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461302 1191365726 /nfs/dbraw/zinc/36/57/26/1191365726.db2.gz AJJKURYFFDPCAK-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461302 1191365727 /nfs/dbraw/zinc/36/57/27/1191365727.db2.gz AJJKURYFFDPCAK-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001484993837 1191609448 /nfs/dbraw/zinc/60/94/48/1191609448.db2.gz LRGMEUXMTGGYCG-SCTDSRPQSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001484993837 1191609449 /nfs/dbraw/zinc/60/94/49/1191609449.db2.gz LRGMEUXMTGGYCG-SCTDSRPQSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC001484993932 1191609770 /nfs/dbraw/zinc/60/97/70/1191609770.db2.gz TXKBQILGUNVHST-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC001484993932 1191609771 /nfs/dbraw/zinc/60/97/71/1191609771.db2.gz TXKBQILGUNVHST-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001485006103 1191612425 /nfs/dbraw/zinc/61/24/25/1191612425.db2.gz JKDGXTYTXUGHFP-IBGZPJMESA-N 2 1 338.455 2.483 10 30 EEEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001485006103 1191612426 /nfs/dbraw/zinc/61/24/26/1191612426.db2.gz JKDGXTYTXUGHFP-IBGZPJMESA-N 2 1 338.455 2.483 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)CC1 ZINC001273428120 1198810223 /nfs/dbraw/zinc/81/02/23/1198810223.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CC)CC1 ZINC001273428120 1198810227 /nfs/dbraw/zinc/81/02/27/1198810227.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)CC1 ZINC001273428120 1198810230 /nfs/dbraw/zinc/81/02/30/1198810230.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C/CC)CC1 ZINC001273428120 1198810233 /nfs/dbraw/zinc/81/02/33/1198810233.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C/CC)CC1 ZINC001273428120 1198810235 /nfs/dbraw/zinc/81/02/35/1198810235.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 1 331.504 2.411 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762247 1199761530 /nfs/dbraw/zinc/76/15/30/1199761530.db2.gz CXZFFRWSPSSOOV-IAGOWNOFSA-N 2 1 335.879 2.437 10 30 EEEEMP C=C(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000878451027 1200477314 /nfs/dbraw/zinc/47/73/14/1200477314.db2.gz DDXUFWVZZIGLNQ-SFHVURJKSA-N 2 1 337.414 2.382 10 30 EEEEMP C#CC1(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000882532991 1201890965 /nfs/dbraw/zinc/89/09/65/1201890965.db2.gz HLJWXYMFUQAQDR-UHFFFAOYSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001274249389 1204974898 /nfs/dbraw/zinc/97/48/98/1204974898.db2.gz AJEAMDBWZHTZAO-MAUKXSAKSA-N 2 1 346.475 2.287 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000900078796 1234000981 /nfs/dbraw/zinc/00/09/81/1234000981.db2.gz ZXIGNCQRJIOWAM-UHFFFAOYSA-N 2 1 333.451 2.368 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000900078796 1234000984 /nfs/dbraw/zinc/00/09/84/1234000984.db2.gz ZXIGNCQRJIOWAM-UHFFFAOYSA-N 2 1 333.451 2.368 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000900158556 1234054780 /nfs/dbraw/zinc/05/47/80/1234054780.db2.gz QONDNHKLBSQUAG-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297234 1258914175 /nfs/dbraw/zinc/91/41/75/1258914175.db2.gz HHWOFTYRKJBOKY-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297234 1258914181 /nfs/dbraw/zinc/91/41/81/1258914181.db2.gz HHWOFTYRKJBOKY-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558157 1303520530 /nfs/dbraw/zinc/52/05/30/1303520530.db2.gz IWCTVVKLLARZRY-LSDHHAIUSA-N 2 1 348.516 2.336 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466005 1310430071 /nfs/dbraw/zinc/43/00/71/1310430071.db2.gz FCTOESRETJZBAJ-BJLQDIEVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466005 1310430079 /nfs/dbraw/zinc/43/00/79/1310430079.db2.gz FCTOESRETJZBAJ-BJLQDIEVSA-N 2 1 349.519 2.177 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001264120878 1322633445 /nfs/dbraw/zinc/63/34/45/1322633445.db2.gz SOTOPVWPGDEABI-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001264191850 1322659252 /nfs/dbraw/zinc/65/92/52/1322659252.db2.gz ZURUPCWOVGOWAH-ZIAGYGMSSA-N 2 1 348.516 2.176 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264657150 1322767792 /nfs/dbraw/zinc/76/77/92/1322767792.db2.gz OKKLBCXQMMCVDC-NXHRZFHOSA-N 2 1 330.476 2.327 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264657150 1322767796 /nfs/dbraw/zinc/76/77/96/1322767796.db2.gz OKKLBCXQMMCVDC-NXHRZFHOSA-N 2 1 330.476 2.327 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)C[NH+]1CCCC1 ZINC001265069005 1322905244 /nfs/dbraw/zinc/90/52/44/1322905244.db2.gz XGBNMZOMQKITHZ-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265336296 1323084266 /nfs/dbraw/zinc/08/42/66/1323084266.db2.gz VPBRYXGLLZUBKY-RTBURBONSA-N 2 1 339.483 2.283 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265682214 1323318457 /nfs/dbraw/zinc/31/84/57/1323318457.db2.gz NGKBLAQLVDGPOS-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265733954 1323355498 /nfs/dbraw/zinc/35/54/98/1323355498.db2.gz JUSUILBYGFYOTC-DAWZGUTISA-N 2 1 337.508 2.079 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001266086357 1323644689 /nfs/dbraw/zinc/64/46/89/1323644689.db2.gz LZWSAVVCZRQVNE-UHFFFAOYSA-N 2 1 343.515 2.436 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281088258 1324758471 /nfs/dbraw/zinc/75/84/71/1324758471.db2.gz RIGUXFQKSXJVEQ-SJLPKXTDSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001281670084 1325387795 /nfs/dbraw/zinc/38/77/95/1325387795.db2.gz LUCCHTJYGHLWHQ-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(Cl)c1 ZINC001282403848 1325710577 /nfs/dbraw/zinc/71/05/77/1325710577.db2.gz XMMNKKXVVAPBDI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(Cl)c1 ZINC001282403848 1325710580 /nfs/dbraw/zinc/71/05/80/1325710580.db2.gz XMMNKKXVVAPBDI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC001282403848 1325710581 /nfs/dbraw/zinc/71/05/81/1325710581.db2.gz XMMNKKXVVAPBDI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001282403848 1325710582 /nfs/dbraw/zinc/71/05/82/1325710582.db2.gz XMMNKKXVVAPBDI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494808 1325732509 /nfs/dbraw/zinc/73/25/09/1325732509.db2.gz QJHIDWTYHBXQRM-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494808 1325732511 /nfs/dbraw/zinc/73/25/11/1325732511.db2.gz QJHIDWTYHBXQRM-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282494808 1325732514 /nfs/dbraw/zinc/73/25/14/1325732514.db2.gz QJHIDWTYHBXQRM-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282494808 1325732518 /nfs/dbraw/zinc/73/25/18/1325732518.db2.gz QJHIDWTYHBXQRM-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2=CCCCC2)CC1 ZINC001282498171 1325733673 /nfs/dbraw/zinc/73/36/73/1325733673.db2.gz WCFUBAYHDYQGLI-KRWDZBQOSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)CC1 ZINC001284846555 1326741899 /nfs/dbraw/zinc/74/18/99/1326741899.db2.gz QGEBQBZPGHMBAK-LJQANCHMSA-N 2 1 349.494 2.193 10 30 EEEEMP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317384498 1332209699 /nfs/dbraw/zinc/20/96/99/1332209699.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317384498 1332209700 /nfs/dbraw/zinc/20/97/00/1332209700.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317384498 1332209702 /nfs/dbraw/zinc/20/97/02/1332209702.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 2 1 339.524 2.090 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC/C=C\CC)C2)CC1 ZINC001317863592 1332435435 /nfs/dbraw/zinc/43/54/35/1332435435.db2.gz OCVINOMLHHDADR-LIXSYLKWSA-N 2 1 345.531 2.468 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCC3CC3)CC2)CC1 ZINC001317883415 1332440924 /nfs/dbraw/zinc/44/09/24/1332440924.db2.gz BBMGBKLUGDOHMK-UHFFFAOYSA-N 2 1 345.531 2.302 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001318841811 1332608533 /nfs/dbraw/zinc/60/85/33/1332608533.db2.gz FQQPKCHOCIGJRX-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001318886940 1332618345 /nfs/dbraw/zinc/61/83/45/1332618345.db2.gz TVNVXHDDISNZKQ-GOSISDBHSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001318886940 1332618347 /nfs/dbraw/zinc/61/83/47/1332618347.db2.gz TVNVXHDDISNZKQ-GOSISDBHSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC001318996882 1332634640 /nfs/dbraw/zinc/63/46/40/1332634640.db2.gz XLCDWQCUVJCEMC-UHFFFAOYSA-N 2 1 342.443 2.332 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCC1 ZINC001319664002 1332737185 /nfs/dbraw/zinc/73/71/85/1332737185.db2.gz QVOFJGABXWVWNA-ICSRJNTNSA-N 2 1 331.504 2.150 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319889282 1332792907 /nfs/dbraw/zinc/79/29/07/1332792907.db2.gz TZRJBRNWUBLPBO-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048375 1332816037 /nfs/dbraw/zinc/81/60/37/1332816037.db2.gz QMIQIOKPAHROIM-NVXWUHKLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048375 1332816038 /nfs/dbraw/zinc/81/60/38/1332816038.db2.gz QMIQIOKPAHROIM-NVXWUHKLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320450975 1332887244 /nfs/dbraw/zinc/88/72/44/1332887244.db2.gz SMSVHADUDRSQLE-UONOGXRCSA-N 2 1 346.313 2.254 10 30 EEEEMP C#CCC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323722198 1333524574 /nfs/dbraw/zinc/52/45/74/1333524574.db2.gz MUAUJHGBBHJDSN-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722198 1333524577 /nfs/dbraw/zinc/52/45/77/1333524577.db2.gz MUAUJHGBBHJDSN-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722198 1333524578 /nfs/dbraw/zinc/52/45/78/1333524578.db2.gz MUAUJHGBBHJDSN-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761406 1333955728 /nfs/dbraw/zinc/95/57/28/1333955728.db2.gz KDSXSLQSDUWWCS-SPOLIRPYSA-N 2 1 333.520 2.462 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761406 1333955731 /nfs/dbraw/zinc/95/57/31/1333955731.db2.gz KDSXSLQSDUWWCS-SPOLIRPYSA-N 2 1 333.520 2.462 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761406 1333955734 /nfs/dbraw/zinc/95/57/34/1333955734.db2.gz KDSXSLQSDUWWCS-SPOLIRPYSA-N 2 1 333.520 2.462 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001325897960 1333987679 /nfs/dbraw/zinc/98/76/79/1333987679.db2.gz HKCIBVBAYHDHBE-GUDVDZBRSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001326488858 1334103128 /nfs/dbraw/zinc/10/31/28/1334103128.db2.gz APNPWXSNTACRAU-LPHOPBHVSA-N 2 1 327.472 2.461 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566896947 1342648013 /nfs/dbraw/zinc/64/80/13/1342648013.db2.gz NSUDFASOCITJQH-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001676249538 1357126869 /nfs/dbraw/zinc/12/68/69/1357126869.db2.gz MHXGQWIGWDSJDD-SFHVURJKSA-N 2 1 346.475 2.287 10 30 EEEEMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365138 1357141119 /nfs/dbraw/zinc/14/11/19/1357141119.db2.gz SQOVWZJIFGZXKF-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001638398585 1352688078 /nfs/dbraw/zinc/68/80/78/1352688078.db2.gz XMSAQFZFNYMJDP-SFHVURJKSA-N 2 1 348.535 2.428 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001638398585 1352688080 /nfs/dbraw/zinc/68/80/80/1352688080.db2.gz XMSAQFZFNYMJDP-SFHVURJKSA-N 2 1 348.535 2.428 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001649437108 1353503335 /nfs/dbraw/zinc/50/33/35/1353503335.db2.gz LUEAHWUWRMZJIE-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001649437108 1353503339 /nfs/dbraw/zinc/50/33/39/1353503339.db2.gz LUEAHWUWRMZJIE-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001649437108 1353503342 /nfs/dbraw/zinc/50/33/42/1353503342.db2.gz LUEAHWUWRMZJIE-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001649440184 1353505926 /nfs/dbraw/zinc/50/59/26/1353505926.db2.gz JXEPGFUQRTVCOD-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001649440184 1353505930 /nfs/dbraw/zinc/50/59/30/1353505930.db2.gz JXEPGFUQRTVCOD-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001649440184 1353505932 /nfs/dbraw/zinc/50/59/32/1353505932.db2.gz JXEPGFUQRTVCOD-HXUWFJFHSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001660175001 1354409974 /nfs/dbraw/zinc/40/99/74/1354409974.db2.gz XVAGGNDDRWTFFZ-HXKWKUIBSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001660175001 1354409976 /nfs/dbraw/zinc/40/99/76/1354409976.db2.gz XVAGGNDDRWTFFZ-HXKWKUIBSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001660175001 1354409982 /nfs/dbraw/zinc/40/99/82/1354409982.db2.gz XVAGGNDDRWTFFZ-HXKWKUIBSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C\c1ccccc1 ZINC001660175001 1354409984 /nfs/dbraw/zinc/40/99/84/1354409984.db2.gz XVAGGNDDRWTFFZ-HXKWKUIBSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C\c1ccccc1 ZINC001660175001 1354409990 /nfs/dbraw/zinc/40/99/90/1354409990.db2.gz XVAGGNDDRWTFFZ-HXKWKUIBSA-N 2 1 339.483 2.236 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)CCC1 ZINC001663196631 1354933231 /nfs/dbraw/zinc/93/32/31/1354933231.db2.gz DCVGYNROCMVAKT-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)CCC1 ZINC001663196631 1354933233 /nfs/dbraw/zinc/93/32/33/1354933233.db2.gz DCVGYNROCMVAKT-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664008639 1355073500 /nfs/dbraw/zinc/07/35/00/1355073500.db2.gz KSMVRRHFIGGBIN-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001664320901 1355138188 /nfs/dbraw/zinc/13/81/88/1355138188.db2.gz GDZZRJSAVUKMIL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001673645349 1356725061 /nfs/dbraw/zinc/72/50/61/1356725061.db2.gz JGQAYCGZSBBMQE-HKUYNNGSSA-N 2 1 337.483 2.004 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674481047 1356843460 /nfs/dbraw/zinc/84/34/60/1356843460.db2.gz PBQUSBIALTUVCP-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001675914682 1357068821 /nfs/dbraw/zinc/06/88/21/1357068821.db2.gz GUHRTTHZGZJARC-AEFFLSMTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001675914682 1357068822 /nfs/dbraw/zinc/06/88/22/1357068822.db2.gz GUHRTTHZGZJARC-AEFFLSMTSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001687783715 1358618147 /nfs/dbraw/zinc/61/81/47/1358618147.db2.gz OKQLZBOSSWJDDF-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699260964 1405304056 /nfs/dbraw/zinc/30/40/56/1405304056.db2.gz NWAYXIVYFONKMG-WFRZBGSESA-N 2 1 340.471 2.051 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805094 1405495685 /nfs/dbraw/zinc/49/56/85/1405495685.db2.gz LJHAXGGESLBJKA-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001699805094 1405495675 /nfs/dbraw/zinc/49/56/75/1405495675.db2.gz LJHAXGGESLBJKA-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805094 1405495682 /nfs/dbraw/zinc/49/56/82/1405495682.db2.gz LJHAXGGESLBJKA-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699871740 1405538644 /nfs/dbraw/zinc/53/86/44/1405538644.db2.gz DTLGKEBFFMFEBC-FQEVSTJZSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC(C)(C)C2)CC1 ZINC000940158050 778192140 /nfs/dbraw/zinc/19/21/40/778192140.db2.gz MPMQQOSIFJWXFN-SFHVURJKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC(C)(C)C2)CC1 ZINC000940158050 778192144 /nfs/dbraw/zinc/19/21/44/778192144.db2.gz MPMQQOSIFJWXFN-SFHVURJKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000940807204 779316619 /nfs/dbraw/zinc/31/66/19/779316619.db2.gz KDYHMDHXUMPEQC-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000940807204 779316627 /nfs/dbraw/zinc/31/66/27/779316627.db2.gz KDYHMDHXUMPEQC-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC1(C)C ZINC000940807204 779316632 /nfs/dbraw/zinc/31/66/32/779316632.db2.gz KDYHMDHXUMPEQC-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC1(C)C ZINC000940807204 779316640 /nfs/dbraw/zinc/31/66/40/779316640.db2.gz KDYHMDHXUMPEQC-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CCOc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925843263 779402706 /nfs/dbraw/zinc/40/27/06/779402706.db2.gz DKIJKDNZJVIMIF-GOSISDBHSA-N 2 1 329.488 2.425 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972590 779596344 /nfs/dbraw/zinc/59/63/44/779596344.db2.gz OBFJDWOMNVZZAP-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972590 779596345 /nfs/dbraw/zinc/59/63/45/779596345.db2.gz OBFJDWOMNVZZAP-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972590 779596349 /nfs/dbraw/zinc/59/63/49/779596349.db2.gz OBFJDWOMNVZZAP-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923429866 789530491 /nfs/dbraw/zinc/53/04/91/789530491.db2.gz BLFMMUZDTOZHDP-NXHRZFHOSA-N 2 1 348.487 2.080 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001178157764 799306040 /nfs/dbraw/zinc/30/60/40/799306040.db2.gz LLRGTBJWRINGGY-MOPGFXCFSA-N 2 1 327.472 2.085 10 30 EEEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000086100096 799872145 /nfs/dbraw/zinc/87/21/45/799872145.db2.gz JZTDLBOTRNVZPI-ZNXRZULTSA-N 3 1 335.540 2.041 10 30 EEEEMP C[NH+]=C(NCC[NH+](C)C1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086100096 799872152 /nfs/dbraw/zinc/87/21/52/799872152.db2.gz JZTDLBOTRNVZPI-ZNXRZULTSA-N 3 1 335.540 2.041 10 30 EEEEMP C[NH+]=C(NCC[NH+](C)C1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086100096 799872158 /nfs/dbraw/zinc/87/21/58/799872158.db2.gz JZTDLBOTRNVZPI-ZNXRZULTSA-N 3 1 335.540 2.041 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CCC[NH+]1CCCC1 ZINC001439182232 1091830316 /nfs/dbraw/zinc/83/03/16/1091830316.db2.gz OYTKPZOQPLNUAH-OAHLLOKOSA-N 2 1 346.450 2.168 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439619442 1092528014 /nfs/dbraw/zinc/52/80/14/1092528014.db2.gz FFVCALGYDKHNTQ-GOSISDBHSA-N 2 1 340.471 2.171 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001440800701 1094044818 /nfs/dbraw/zinc/04/48/18/1094044818.db2.gz RFGHOQFILQEIQS-HUUCEWRRSA-N 2 1 328.460 2.025 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001440800699 1094045396 /nfs/dbraw/zinc/04/53/96/1094045396.db2.gz RFGHOQFILQEIQS-CABCVRRESA-N 2 1 328.460 2.025 10 30 EEEEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601526 1096971352 /nfs/dbraw/zinc/97/13/52/1096971352.db2.gz HLFYTWPBXXTLNE-GJZGRUSLSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001444198645 1098751781 /nfs/dbraw/zinc/75/17/81/1098751781.db2.gz KQWHDIQXIPEZOA-KRWDZBQOSA-N 2 1 335.879 2.487 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110001 1100349522 /nfs/dbraw/zinc/34/95/22/1100349522.db2.gz LSOZUHSQXNDRCH-OALUTQOASA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001496861411 1101626586 /nfs/dbraw/zinc/62/65/86/1101626586.db2.gz STBDIHOCRWHRGP-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001496861411 1101626588 /nfs/dbraw/zinc/62/65/88/1101626588.db2.gz STBDIHOCRWHRGP-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001496861411 1101626593 /nfs/dbraw/zinc/62/65/93/1101626593.db2.gz STBDIHOCRWHRGP-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001493965156 1103213109 /nfs/dbraw/zinc/21/31/09/1103213109.db2.gz QYBOQONSVTWTFB-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001493965156 1103213115 /nfs/dbraw/zinc/21/31/15/1103213115.db2.gz QYBOQONSVTWTFB-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984687 1104629165 /nfs/dbraw/zinc/62/91/65/1104629165.db2.gz JYBNTQBZVBKDJI-RTBURBONSA-N 2 1 342.487 2.415 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145586 1113214397 /nfs/dbraw/zinc/21/43/97/1113214397.db2.gz CHLUEIFWZFNVHC-QFBILLFUSA-N 2 1 342.487 2.084 10 30 EEEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CCCn1cc[nH+]c1C ZINC001501668885 1113424901 /nfs/dbraw/zinc/42/49/01/1113424901.db2.gz RAORATMZFWZGME-UHFFFAOYSA-N 2 1 338.455 2.353 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CCCn1cc[nH+]c1C ZINC001501668885 1113424902 /nfs/dbraw/zinc/42/49/02/1113424902.db2.gz RAORATMZFWZGME-UHFFFAOYSA-N 2 1 338.455 2.353 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938060 1114987498 /nfs/dbraw/zinc/98/74/98/1114987498.db2.gz JXKKVSCYIOOTDR-IRXDYDNUSA-N 2 1 342.487 2.275 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156298 1115138574 /nfs/dbraw/zinc/13/85/74/1115138574.db2.gz XADMUFZGWAAIIL-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC001508235944 1115456638 /nfs/dbraw/zinc/45/66/38/1115456638.db2.gz ODVRIVPNYRXLEQ-GOSISDBHSA-N 2 1 331.435 2.039 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001568513425 1124573597 /nfs/dbraw/zinc/57/35/97/1124573597.db2.gz LFLNOEMFPRBWGL-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569037909 1125057458 /nfs/dbraw/zinc/05/74/58/1125057458.db2.gz DDFNWKSDVXUXGP-WIYYLYMNSA-N 2 1 349.478 2.435 10 30 EEEEMP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679818 472201800 /nfs/dbraw/zinc/20/18/00/472201800.db2.gz CZLLAJREOFVRDS-FQEVSTJZSA-N 2 1 327.472 2.249 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC[NH2+]1 ZINC000662682747 472204133 /nfs/dbraw/zinc/20/41/33/472204133.db2.gz SYCHIPHTQPECAM-GOSISDBHSA-N 2 1 333.501 2.133 10 30 EEEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261663727 676376494 /nfs/dbraw/zinc/37/64/94/676376494.db2.gz BEAUHQYTDAFAIO-BZSNNMDCSA-N 2 1 346.523 2.216 10 30 EEEEMP CCc1nc(CNC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)cs1 ZINC000262796668 688485072 /nfs/dbraw/zinc/48/50/72/688485072.db2.gz PTXDZINXKSJISO-LQDVMPOASA-N 2 1 335.521 2.386 10 30 EEEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485812132 1191973311 /nfs/dbraw/zinc/97/33/11/1191973311.db2.gz ULJWTLKOTOEWEM-QUCCMNQESA-N 2 1 345.531 2.491 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266396492 1176472169 /nfs/dbraw/zinc/47/21/69/1176472169.db2.gz HFBVSSRRYMLVFC-IBGZPJMESA-N 2 1 329.488 2.062 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266396492 1176472178 /nfs/dbraw/zinc/47/21/78/1176472178.db2.gz HFBVSSRRYMLVFC-IBGZPJMESA-N 2 1 329.488 2.062 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001267169798 1178390247 /nfs/dbraw/zinc/39/02/47/1178390247.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001267169798 1178390255 /nfs/dbraw/zinc/39/02/55/1178390255.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001267169798 1178390265 /nfs/dbraw/zinc/39/02/65/1178390265.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001267169798 1178390274 /nfs/dbraw/zinc/39/02/74/1178390274.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001267169798 1178390279 /nfs/dbraw/zinc/39/02/79/1178390279.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001267386651 1178947474 /nfs/dbraw/zinc/94/74/74/1178947474.db2.gz PDQQNLAXADBGMF-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001267386651 1178947475 /nfs/dbraw/zinc/94/74/75/1178947475.db2.gz PDQQNLAXADBGMF-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001481334511 1181058148 /nfs/dbraw/zinc/05/81/48/1181058148.db2.gz YPCPACHCSDMMEJ-HKUYNNGSSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481452308 1181389260 /nfs/dbraw/zinc/38/92/60/1181389260.db2.gz LVADRTGJNNWIEQ-GOSISDBHSA-N 2 1 327.472 2.213 10 30 EEEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268088039 1181706880 /nfs/dbraw/zinc/70/68/80/1181706880.db2.gz SHENWKCJPFLDOF-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740943 1182467987 /nfs/dbraw/zinc/46/79/87/1182467987.db2.gz GPSOWOGKSHZPMU-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740943 1182467991 /nfs/dbraw/zinc/46/79/91/1182467991.db2.gz GPSOWOGKSHZPMU-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CCCCCC1 ZINC001269611039 1184441744 /nfs/dbraw/zinc/44/17/44/1184441744.db2.gz CLLYTGCQKPOQPS-UHFFFAOYSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](CCC=C)CC1 ZINC001270352190 1185040529 /nfs/dbraw/zinc/04/05/29/1185040529.db2.gz ZUHWLOABDAOZLB-UHFFFAOYSA-N 2 1 342.487 2.474 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001270427555 1185093978 /nfs/dbraw/zinc/09/39/78/1185093978.db2.gz OLCCMKICOWOMMI-AEFFLSMTSA-N 2 1 331.504 2.006 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001270427555 1185093984 /nfs/dbraw/zinc/09/39/84/1185093984.db2.gz OLCCMKICOWOMMI-AEFFLSMTSA-N 2 1 331.504 2.006 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663945 1185283736 /nfs/dbraw/zinc/28/37/36/1185283736.db2.gz BMTHGRJVPFXPSL-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455833 1185873865 /nfs/dbraw/zinc/87/38/65/1185873865.db2.gz JPJHIYHRBNMOQY-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001271181606 1186063481 /nfs/dbraw/zinc/06/34/81/1186063481.db2.gz LSIPIXUOTWHSJV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001271898254 1186595520 /nfs/dbraw/zinc/59/55/20/1186595520.db2.gz BVGKPQPSBCETRE-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001271898254 1186595531 /nfs/dbraw/zinc/59/55/31/1186595531.db2.gz BVGKPQPSBCETRE-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001271898254 1186595541 /nfs/dbraw/zinc/59/55/41/1186595541.db2.gz BVGKPQPSBCETRE-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001271898254 1186595548 /nfs/dbraw/zinc/59/55/48/1186595548.db2.gz BVGKPQPSBCETRE-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485828116 1193479388 /nfs/dbraw/zinc/47/93/88/1193479388.db2.gz UMGWDPMGMFRXEG-YJBOKZPZSA-N 2 1 325.472 2.212 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC=C)C2)CC1 ZINC001482665023 1187538455 /nfs/dbraw/zinc/53/84/55/1187538455.db2.gz INNCTDGZDJEDEN-UXHICEINSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001671045356 1193553079 /nfs/dbraw/zinc/55/30/79/1193553079.db2.gz TUZJMQPIHOVYLW-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272670572 1191009282 /nfs/dbraw/zinc/00/92/82/1191009282.db2.gz VLJWJWQRMJCIKU-FQEVSTJZSA-N 2 1 339.483 2.100 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001486183658 1193722621 /nfs/dbraw/zinc/72/26/21/1193722621.db2.gz KPEFDUUNUAOJDK-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001486183658 1193722625 /nfs/dbraw/zinc/72/26/25/1193722625.db2.gz KPEFDUUNUAOJDK-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001486183658 1193722629 /nfs/dbraw/zinc/72/26/29/1193722629.db2.gz KPEFDUUNUAOJDK-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001486183658 1193722632 /nfs/dbraw/zinc/72/26/32/1193722632.db2.gz KPEFDUUNUAOJDK-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412401 1193921460 /nfs/dbraw/zinc/92/14/60/1193921460.db2.gz WFLHMIIRGXYHHT-KXBFYZLASA-N 2 1 339.499 2.343 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000867963504 1201716140 /nfs/dbraw/zinc/71/61/40/1201716140.db2.gz WEKZSZMSIOIINH-VCBZYWHSSA-N 2 1 340.471 2.124 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000867963504 1201716142 /nfs/dbraw/zinc/71/61/42/1201716142.db2.gz WEKZSZMSIOIINH-VCBZYWHSSA-N 2 1 340.471 2.124 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001274345677 1205006403 /nfs/dbraw/zinc/00/64/03/1205006403.db2.gz XYFJVICUVKPDJK-MSOLQXFVSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC/C=C/CC ZINC001275116394 1205261027 /nfs/dbraw/zinc/26/10/27/1205261027.db2.gz XLMRDCFSERIHRM-FNYRVFDFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC/C=C/CC ZINC001275116394 1205261029 /nfs/dbraw/zinc/26/10/29/1205261029.db2.gz XLMRDCFSERIHRM-FNYRVFDFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C/CC ZINC001275116394 1205261030 /nfs/dbraw/zinc/26/10/30/1205261030.db2.gz XLMRDCFSERIHRM-FNYRVFDFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C/CC ZINC001275116394 1205261033 /nfs/dbraw/zinc/26/10/33/1205261033.db2.gz XLMRDCFSERIHRM-FNYRVFDFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001276137759 1205794949 /nfs/dbraw/zinc/79/49/49/1205794949.db2.gz GORFMCRPYWDCSD-PKOBYXMFSA-N 2 1 344.503 2.240 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691736730 1210719874 /nfs/dbraw/zinc/71/98/74/1210719874.db2.gz BZNNTBCUZSGRBP-SCTDSRPQSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604058 1293579654 /nfs/dbraw/zinc/57/96/54/1293579654.db2.gz SIULHSHUWAFFOU-OALUTQOASA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604058 1293579655 /nfs/dbraw/zinc/57/96/55/1293579655.db2.gz SIULHSHUWAFFOU-OALUTQOASA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604058 1293579659 /nfs/dbraw/zinc/57/96/59/1293579659.db2.gz SIULHSHUWAFFOU-OALUTQOASA-N 2 1 333.476 2.312 10 30 EEEEMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931309304 1297132042 /nfs/dbraw/zinc/13/20/42/1297132042.db2.gz YLUNRMGOGLNVNI-OALUTQOASA-N 2 1 326.444 2.160 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001278336026 1309553435 /nfs/dbraw/zinc/55/34/35/1309553435.db2.gz OBPLCLLYGJOQMO-MJGOQNOKSA-N 2 1 337.483 2.004 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001278726543 1317883405 /nfs/dbraw/zinc/88/34/05/1317883405.db2.gz WOIVTHRVALNLRX-QGZVFWFLSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001278964207 1318854884 /nfs/dbraw/zinc/85/48/84/1318854884.db2.gz OWYIRPIJJKKGLN-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001279031836 1319037875 /nfs/dbraw/zinc/03/78/75/1319037875.db2.gz SCWVNUHZWWWSJE-HOTGVXAUSA-N 2 1 339.443 2.284 10 30 EEEEMP C[NH+](C)C1(C(=O)NCCC[N@H+](C)CC#Cc2ccc(F)cc2)CCC1 ZINC001264994916 1322843410 /nfs/dbraw/zinc/84/34/10/1322843410.db2.gz MZKZBWAZIMEKEM-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142499 1322945300 /nfs/dbraw/zinc/94/53/00/1322945300.db2.gz JYRBYXAYFHQXCY-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142499 1322945301 /nfs/dbraw/zinc/94/53/01/1322945301.db2.gz JYRBYXAYFHQXCY-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142499 1322945303 /nfs/dbraw/zinc/94/53/03/1322945303.db2.gz JYRBYXAYFHQXCY-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663057 1323306054 /nfs/dbraw/zinc/30/60/54/1323306054.db2.gz CUOGQWYMSJYGGB-UXHICEINSA-N 2 1 339.483 2.103 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266054526 1323606515 /nfs/dbraw/zinc/60/65/15/1323606515.db2.gz VCNQSGFCDWUDJV-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266054526 1323606519 /nfs/dbraw/zinc/60/65/19/1323606519.db2.gz VCNQSGFCDWUDJV-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266054526 1323606529 /nfs/dbraw/zinc/60/65/29/1323606529.db2.gz VCNQSGFCDWUDJV-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001281965406 1325540191 /nfs/dbraw/zinc/54/01/91/1325540191.db2.gz SICOVTSZZGTZSH-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001281965406 1325540198 /nfs/dbraw/zinc/54/01/98/1325540198.db2.gz SICOVTSZZGTZSH-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2=CCCCC2)CC1 ZINC001282498172 1325733590 /nfs/dbraw/zinc/73/35/90/1325733590.db2.gz WCFUBAYHDYQGLI-QGZVFWFLSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001282614670 1325752184 /nfs/dbraw/zinc/75/21/84/1325752184.db2.gz FFJWAFKQXKAEGT-ZWKOTPCHSA-N 2 1 331.504 2.435 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283350687 1326024260 /nfs/dbraw/zinc/02/42/60/1326024260.db2.gz JWVMHQUVWXJKAC-HXUWFJFHSA-N 2 1 341.499 2.360 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317201158 1332129823 /nfs/dbraw/zinc/12/98/23/1332129823.db2.gz ZBIVNCURDDJXGC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC/C=C/CC)C2)CC1 ZINC001317863589 1332435357 /nfs/dbraw/zinc/43/53/57/1332435357.db2.gz OCVINOMLHHDADR-GHOSXJJBSA-N 2 1 345.531 2.468 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318424674 1332530465 /nfs/dbraw/zinc/53/04/65/1332530465.db2.gz LDTZCOXIBNYZSC-GOSISDBHSA-N 2 1 347.890 2.176 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318424674 1332530468 /nfs/dbraw/zinc/53/04/68/1332530468.db2.gz LDTZCOXIBNYZSC-GOSISDBHSA-N 2 1 347.890 2.176 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001325655626 1333933941 /nfs/dbraw/zinc/93/39/41/1333933941.db2.gz HEYWYYPGGIBANC-GUDVDZBRSA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001325778388 1333959335 /nfs/dbraw/zinc/95/93/35/1333959335.db2.gz GUYMPGUDDFYDOB-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001325778388 1333959337 /nfs/dbraw/zinc/95/93/37/1333959337.db2.gz GUYMPGUDDFYDOB-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001325778388 1333959338 /nfs/dbraw/zinc/95/93/38/1333959338.db2.gz GUYMPGUDDFYDOB-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001325778388 1333959340 /nfs/dbraw/zinc/95/93/40/1333959340.db2.gz GUYMPGUDDFYDOB-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915065 1333992704 /nfs/dbraw/zinc/99/27/04/1333992704.db2.gz CFWUXWZRNLTEJC-OALUTQOASA-N 2 1 331.504 2.341 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001326417794 1334089498 /nfs/dbraw/zinc/08/94/98/1334089498.db2.gz FLLJGWKNURZZCJ-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330539393 1334866726 /nfs/dbraw/zinc/86/67/26/1334866726.db2.gz WFNWHRNVLFIRNQ-BGYRXZFFSA-N 2 1 331.504 2.056 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330818174 1334908455 /nfs/dbraw/zinc/90/84/55/1334908455.db2.gz AEVRNRLFCMTGFA-GPMSIDNRSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812190 1335912115 /nfs/dbraw/zinc/91/21/15/1335912115.db2.gz ZENFADBFUYQQMX-FUHWJXTLSA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001339067871 1336953328 /nfs/dbraw/zinc/95/33/28/1336953328.db2.gz HXTJTYLCMRMHOS-QGZVFWFLSA-N 2 1 346.523 2.051 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001500292316 1342139372 /nfs/dbraw/zinc/13/93/72/1342139372.db2.gz IBTNOEWLAOMVAH-ROUKRRSUSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566905157 1342649839 /nfs/dbraw/zinc/64/98/39/1342649839.db2.gz NQGCXTIFFQKWKT-QFBILLFUSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954636 1342659404 /nfs/dbraw/zinc/65/94/04/1342659404.db2.gz ALMSQOAFRUSEMM-OALUTQOASA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954636 1342659406 /nfs/dbraw/zinc/65/94/06/1342659406.db2.gz ALMSQOAFRUSEMM-OALUTQOASA-N 2 1 342.487 2.450 10 30 EEEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001567626961 1342796334 /nfs/dbraw/zinc/79/63/34/1342796334.db2.gz LAPXWVRQDXLVGY-AWEZNQCLSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821063 1357213841 /nfs/dbraw/zinc/21/38/41/1357213841.db2.gz QLAWQWBXEBLKPX-ICSRJNTNSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821063 1357213844 /nfs/dbraw/zinc/21/38/44/1357213844.db2.gz QLAWQWBXEBLKPX-ICSRJNTNSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821063 1357213846 /nfs/dbraw/zinc/21/38/46/1357213846.db2.gz QLAWQWBXEBLKPX-ICSRJNTNSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001676821063 1357213849 /nfs/dbraw/zinc/21/38/49/1357213849.db2.gz QLAWQWBXEBLKPX-ICSRJNTNSA-N 2 1 327.472 2.418 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001661655211 1354669604 /nfs/dbraw/zinc/66/96/04/1354669604.db2.gz YYTXMTNIPHFKOT-GASCZTMLSA-N 2 1 332.448 2.087 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H]1CCc2ccccc21 ZINC001663389195 1354955937 /nfs/dbraw/zinc/95/59/37/1354955937.db2.gz PIALTGUDPIZATN-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H]1CCc2ccccc21 ZINC001663389195 1354955940 /nfs/dbraw/zinc/95/59/40/1354955940.db2.gz PIALTGUDPIZATN-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H]1CCc2ccccc21 ZINC001663389195 1354955942 /nfs/dbraw/zinc/95/59/42/1354955942.db2.gz PIALTGUDPIZATN-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H]1CCc2ccccc21 ZINC001663389195 1354955943 /nfs/dbraw/zinc/95/59/43/1354955943.db2.gz PIALTGUDPIZATN-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001663985898 1355068446 /nfs/dbraw/zinc/06/84/46/1355068446.db2.gz PJQWZBMJTACEME-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664599923 1355197698 /nfs/dbraw/zinc/19/76/98/1355197698.db2.gz WHEIXJWBSIHOSP-RTBURBONSA-N 2 1 327.472 2.331 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836105 1355239042 /nfs/dbraw/zinc/23/90/42/1355239042.db2.gz PGZAJMHBRYCGCN-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836105 1355239044 /nfs/dbraw/zinc/23/90/44/1355239044.db2.gz PGZAJMHBRYCGCN-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001667413125 1355737405 /nfs/dbraw/zinc/73/74/05/1355737405.db2.gz KKCQKVNLQODKJX-GOSISDBHSA-N 2 1 339.499 2.250 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001671464859 1356343702 /nfs/dbraw/zinc/34/37/02/1356343702.db2.gz AULZFXIBFNWANG-HKUYNNGSSA-N 2 1 331.504 2.362 10 30 EEEEMP C#CCN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC[NH+](CCC(=C)C)CC1 ZINC001671504145 1356351984 /nfs/dbraw/zinc/35/19/84/1356351984.db2.gz PRQMXGZQTMOOCO-NRFANRHFSA-N 2 1 343.515 2.365 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915951 1356614386 /nfs/dbraw/zinc/61/43/86/1356614386.db2.gz LFHGXACZXMIJDZ-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001675615333 1357016208 /nfs/dbraw/zinc/01/62/08/1357016208.db2.gz ULHOFUCRVUEKDX-SJORKVTESA-N 2 1 348.491 2.178 10 30 EEEEMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621853 1405012166 /nfs/dbraw/zinc/01/21/66/1405012166.db2.gz ZGGFRDFSSFSEOF-IEBWSBKVSA-N 2 1 345.462 2.003 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027200 779737203 /nfs/dbraw/zinc/73/72/03/779737203.db2.gz BOFFSZRZRYHSAI-IBGZPJMESA-N 2 1 341.499 2.254 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000911291394 787359889 /nfs/dbraw/zinc/35/98/89/787359889.db2.gz GFPFTPNAIVVDLS-RBUKOAKNSA-N 2 1 327.472 2.227 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001445609197 1091403024 /nfs/dbraw/zinc/40/30/24/1091403024.db2.gz IAEHLNZDIHHZGV-KBPBESRZSA-N 2 1 346.313 2.252 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001440656768 1093929300 /nfs/dbraw/zinc/92/93/00/1093929300.db2.gz AHAMQQDOZUXJCY-ZYSHUDEJSA-N 2 1 342.487 2.273 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524220 1095224704 /nfs/dbraw/zinc/22/47/04/1095224704.db2.gz OPXBXSZFHXRWTD-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479623315 1098647366 /nfs/dbraw/zinc/64/73/66/1098647366.db2.gz DQQTXIYVVVOLBU-VAMGGRTRSA-N 2 1 341.499 2.324 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479623315 1098647371 /nfs/dbraw/zinc/64/73/71/1098647371.db2.gz DQQTXIYVVVOLBU-VAMGGRTRSA-N 2 1 341.499 2.324 10 30 EEEEMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001480180715 1099766267 /nfs/dbraw/zinc/76/62/67/1099766267.db2.gz HNAWQTVETWAWGI-YQQQUEKLSA-N 2 1 340.471 2.122 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001480187505 1099780773 /nfs/dbraw/zinc/78/07/73/1099780773.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187505 1099780777 /nfs/dbraw/zinc/78/07/77/1099780777.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187505 1099780784 /nfs/dbraw/zinc/78/07/84/1099780784.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480263279 1099950190 /nfs/dbraw/zinc/95/01/90/1099950190.db2.gz MKDMFOLQSSYKGE-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480263279 1099950198 /nfs/dbraw/zinc/95/01/98/1099950198.db2.gz MKDMFOLQSSYKGE-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480263279 1099950209 /nfs/dbraw/zinc/95/02/09/1099950209.db2.gz MKDMFOLQSSYKGE-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110006 1100349572 /nfs/dbraw/zinc/34/95/72/1100349572.db2.gz LSOZUHSQXNDRCH-RBUKOAKNSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC001495002913 1104646066 /nfs/dbraw/zinc/64/60/66/1104646066.db2.gz NWDXNEWPJPUCIM-RIZQAGQYSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC001495002913 1104646070 /nfs/dbraw/zinc/64/60/70/1104646070.db2.gz NWDXNEWPJPUCIM-RIZQAGQYSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001480715492 1106947221 /nfs/dbraw/zinc/94/72/21/1106947221.db2.gz ZKHNQSWDBBDTMG-WOJBJXKFSA-N 2 1 339.483 2.085 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001499330679 1112237117 /nfs/dbraw/zinc/23/71/17/1112237117.db2.gz URHIOEBONYAEBC-GOEBONIOSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001500029298 1112584389 /nfs/dbraw/zinc/58/43/89/1112584389.db2.gz IRSCQMQIMHFUEU-LJQANCHMSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500505644 1112896649 /nfs/dbraw/zinc/89/66/49/1112896649.db2.gz USCFMFVUELWUAF-UYAOXDASSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505644 1112896655 /nfs/dbraw/zinc/89/66/55/1112896655.db2.gz USCFMFVUELWUAF-UYAOXDASSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505644 1112896662 /nfs/dbraw/zinc/89/66/62/1112896662.db2.gz USCFMFVUELWUAF-UYAOXDASSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001501053478 1113182210 /nfs/dbraw/zinc/18/22/10/1113182210.db2.gz IQSAWQDTNXUKMF-SJORKVTESA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394713 1113340446 /nfs/dbraw/zinc/34/04/46/1113340446.db2.gz JJEOYWZYCPAPGI-MSOLQXFVSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001503700296 1113901035 /nfs/dbraw/zinc/90/10/35/1113901035.db2.gz HFFQOWFXVMIGDC-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505400625 1113938293 /nfs/dbraw/zinc/93/82/93/1113938293.db2.gz XGLRJOVDWWKLJF-UHFFFAOYSA-N 2 1 339.911 2.395 10 30 EEEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940044 /nfs/dbraw/zinc/94/00/44/1114940044.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940045 /nfs/dbraw/zinc/94/00/45/1114940045.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940047 /nfs/dbraw/zinc/94/00/47/1114940047.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001567838618 1124136637 /nfs/dbraw/zinc/13/66/37/1124136637.db2.gz GPCOUGBGMLPFMB-RHSMWYFYSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001569062357 1125072990 /nfs/dbraw/zinc/07/29/90/1125072990.db2.gz XKBAQZXINLWUND-DAYGRLMNSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001569062357 1125072997 /nfs/dbraw/zinc/07/29/97/1125072997.db2.gz XKBAQZXINLWUND-DAYGRLMNSA-N 2 1 331.435 2.079 10 30 EEEEMP CN(Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003782 160165306 /nfs/dbraw/zinc/16/53/06/160165306.db2.gz HZNNDKCALJXMFH-UHFFFAOYSA-N 2 1 341.434 2.490 10 30 EEEEMP CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589572655 468163309 /nfs/dbraw/zinc/16/33/09/468163309.db2.gz JOUALZGKSKECAK-QGZVFWFLSA-N 2 1 343.431 2.071 10 30 EEEEMP CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589572655 468163314 /nfs/dbraw/zinc/16/33/14/468163314.db2.gz JOUALZGKSKECAK-QGZVFWFLSA-N 2 1 343.431 2.071 10 30 EEEEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437213 468586759 /nfs/dbraw/zinc/58/67/59/468586759.db2.gz JFRXRYCHTFTACX-NXHRZFHOSA-N 2 1 328.460 2.349 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000597943365 468720288 /nfs/dbraw/zinc/72/02/88/468720288.db2.gz ZQFSNESPGWQQEF-IRXDYDNUSA-N 2 1 344.503 2.125 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000597943365 468720292 /nfs/dbraw/zinc/72/02/92/468720292.db2.gz ZQFSNESPGWQQEF-IRXDYDNUSA-N 2 1 344.503 2.125 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000601817073 469039049 /nfs/dbraw/zinc/03/90/49/469039049.db2.gz LPCQKKSUZRYGKZ-PKOBYXMFSA-N 2 1 346.519 2.333 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741712292 578122835 /nfs/dbraw/zinc/12/28/35/578122835.db2.gz SVEYTYOJUJFZHG-RYRKJORJSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741712292 578122836 /nfs/dbraw/zinc/12/28/36/578122836.db2.gz SVEYTYOJUJFZHG-RYRKJORJSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000741712292 578122837 /nfs/dbraw/zinc/12/28/37/578122837.db2.gz SVEYTYOJUJFZHG-RYRKJORJSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000741712292 578122838 /nfs/dbraw/zinc/12/28/38/578122838.db2.gz SVEYTYOJUJFZHG-RYRKJORJSA-N 2 1 345.512 2.345 10 30 EEEEMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001691374447 1177980772 /nfs/dbraw/zinc/98/07/72/1177980772.db2.gz ZPBLSSWELJERKA-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092646 1178223023 /nfs/dbraw/zinc/22/30/23/1178223023.db2.gz DTIUOZJXCJMHAQ-VQTJNVASSA-N 2 1 341.499 2.395 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccccc1 ZINC001267393641 1178963951 /nfs/dbraw/zinc/96/39/51/1178963951.db2.gz OHYNBMFOIZAJAJ-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685039 1180157345 /nfs/dbraw/zinc/15/73/45/1180157345.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267685039 1180157349 /nfs/dbraw/zinc/15/73/49/1180157349.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267685039 1180157353 /nfs/dbraw/zinc/15/73/53/1180157353.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001481343829 1181079064 /nfs/dbraw/zinc/07/90/64/1181079064.db2.gz WCFPPLWUGBJNTL-PBHICJAKSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481432761 1181322272 /nfs/dbraw/zinc/32/22/72/1181322272.db2.gz PQWPNLUZMHHCIR-CVEARBPZSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481432761 1181322275 /nfs/dbraw/zinc/32/22/75/1181322275.db2.gz PQWPNLUZMHHCIR-CVEARBPZSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481432761 1181322280 /nfs/dbraw/zinc/32/22/80/1181322280.db2.gz PQWPNLUZMHHCIR-CVEARBPZSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034150 1183182144 /nfs/dbraw/zinc/18/21/44/1183182144.db2.gz VTOFXRHIJRXQGT-IBGZPJMESA-N 2 1 327.472 2.289 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753643 1183669934 /nfs/dbraw/zinc/66/99/34/1183669934.db2.gz VWONDWAIGJLFSU-HKUYNNGSSA-N 2 1 329.488 2.061 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753643 1183669938 /nfs/dbraw/zinc/66/99/38/1183669938.db2.gz VWONDWAIGJLFSU-HKUYNNGSSA-N 2 1 329.488 2.061 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCC1 ZINC001269549399 1184372423 /nfs/dbraw/zinc/37/24/23/1184372423.db2.gz NIOGUVAOKXBLTP-MRXNPFEDSA-N 2 1 330.476 2.439 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271287154 1186121894 /nfs/dbraw/zinc/12/18/94/1186121894.db2.gz ZJOFPMVNHDYYIW-VQTJNVASSA-N 2 1 341.499 2.253 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001482531054 1186524023 /nfs/dbraw/zinc/52/40/23/1186524023.db2.gz IZZCVLPYBHERLY-HKUYNNGSSA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001271873141 1186568669 /nfs/dbraw/zinc/56/86/69/1186568669.db2.gz CHCHNZNSOIDZPG-KDURUIRLSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691629576 1188878659 /nfs/dbraw/zinc/87/86/59/1188878659.db2.gz QXKQUOICNIOJKF-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691629574 1188879164 /nfs/dbraw/zinc/87/91/64/1188879164.db2.gz QXKQUOICNIOJKF-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001483343900 1190379556 /nfs/dbraw/zinc/37/95/56/1190379556.db2.gz LABXMXQQAYKHMC-PKOBYXMFSA-N 2 1 347.478 2.155 10 30 EEEEMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001483343900 1190379562 /nfs/dbraw/zinc/37/95/62/1190379562.db2.gz LABXMXQQAYKHMC-PKOBYXMFSA-N 2 1 347.478 2.155 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001483817812 1191046195 /nfs/dbraw/zinc/04/61/95/1191046195.db2.gz ZTTKVAOZSPNVHO-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001483817812 1191046198 /nfs/dbraw/zinc/04/61/98/1191046198.db2.gz ZTTKVAOZSPNVHO-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001483817812 1191046200 /nfs/dbraw/zinc/04/62/00/1191046200.db2.gz ZTTKVAOZSPNVHO-UXHICEINSA-N 2 1 343.515 2.340 10 30 EEEEMP C=CC[N@@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001484612647 1191437800 /nfs/dbraw/zinc/43/78/00/1191437800.db2.gz KONGRSYCNSKPQN-UHFFFAOYSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001484822261 1191541030 /nfs/dbraw/zinc/54/10/30/1191541030.db2.gz DHERQOZJVCIUAV-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204496 1197516175 /nfs/dbraw/zinc/51/61/75/1197516175.db2.gz LJUYIGFRAJPBBR-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274855104 1205188330 /nfs/dbraw/zinc/18/83/30/1205188330.db2.gz CGZHODSDKKQHAO-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001274855104 1205188332 /nfs/dbraw/zinc/18/83/32/1205188332.db2.gz CGZHODSDKKQHAO-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001274855104 1205188333 /nfs/dbraw/zinc/18/83/33/1205188333.db2.gz CGZHODSDKKQHAO-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000903458940 1240530338 /nfs/dbraw/zinc/53/03/38/1240530338.db2.gz NNPAHGCVDIZWHL-MRXNPFEDSA-N 2 1 330.823 2.099 10 30 EEEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000903458940 1240530344 /nfs/dbraw/zinc/53/03/44/1240530344.db2.gz NNPAHGCVDIZWHL-MRXNPFEDSA-N 2 1 330.823 2.099 10 30 EEEEMP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273823976 1286464332 /nfs/dbraw/zinc/46/43/32/1286464332.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001273823976 1286464336 /nfs/dbraw/zinc/46/43/36/1286464336.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001273823976 1286464341 /nfs/dbraw/zinc/46/43/41/1286464341.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 2 1 341.499 2.447 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCF)[C@@H]2C)CC1 ZINC001489311946 1290540583 /nfs/dbraw/zinc/54/05/83/1290540583.db2.gz PRSKVQFLEYOPTJ-AEFFLSMTSA-N 2 1 337.483 2.050 10 30 EEEEMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673950 1291557892 /nfs/dbraw/zinc/55/78/92/1291557892.db2.gz NANCWDKPDWWWKY-HXUWFJFHSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001277541636 1303862437 /nfs/dbraw/zinc/86/24/37/1303862437.db2.gz ITEXVQVZMDLIDX-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434720 1310255081 /nfs/dbraw/zinc/25/50/81/1310255081.db2.gz UXVVLJPQNBUZIY-QFBILLFUSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516180 1317081281 /nfs/dbraw/zinc/08/12/81/1317081281.db2.gz OWXVSTVIPFWKFR-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001264561492 1322732777 /nfs/dbraw/zinc/73/27/77/1322732777.db2.gz PFBIRBHQPFPZNX-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001264997019 1322844546 /nfs/dbraw/zinc/84/45/46/1322844546.db2.gz VZLZZIBCCVYMNQ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001264997019 1322844551 /nfs/dbraw/zinc/84/45/51/1322844551.db2.gz VZLZZIBCCVYMNQ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCCC1 ZINC001264997019 1322844562 /nfs/dbraw/zinc/84/45/62/1322844562.db2.gz VZLZZIBCCVYMNQ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCCC1 ZINC001264997019 1322844569 /nfs/dbraw/zinc/84/45/69/1322844569.db2.gz VZLZZIBCCVYMNQ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001265147826 1322948861 /nfs/dbraw/zinc/94/88/61/1322948861.db2.gz LVYVAJUNEXRBAZ-UHFFFAOYSA-N 2 1 347.425 2.112 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401207 1323132504 /nfs/dbraw/zinc/13/25/04/1323132504.db2.gz NDJSRCJBOOEMIE-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074628 1323630007 /nfs/dbraw/zinc/63/00/07/1323630007.db2.gz CAFKOOBFXZGZNT-UXHICEINSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001281063566 1324750830 /nfs/dbraw/zinc/75/08/30/1324750830.db2.gz QWMXRALKSDFTIO-NRFANRHFSA-N 2 1 345.531 2.494 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC001282991991 1325870863 /nfs/dbraw/zinc/87/08/63/1325870863.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 2 1 330.476 2.477 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001283456926 1326080020 /nfs/dbraw/zinc/08/00/20/1326080020.db2.gz KALQITBIXJSXRN-VQIMIIECSA-N 2 1 339.499 2.343 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC001284640259 1326643425 /nfs/dbraw/zinc/64/34/25/1326643425.db2.gz FSROZRONOGOZKZ-QGZVFWFLSA-N 2 1 339.443 2.025 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001317396209 1332213355 /nfs/dbraw/zinc/21/33/55/1332213355.db2.gz MNCXCGCJLBOYAJ-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001317396209 1332213357 /nfs/dbraw/zinc/21/33/57/1332213357.db2.gz MNCXCGCJLBOYAJ-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP CC#CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001317884701 1332441304 /nfs/dbraw/zinc/44/13/04/1332441304.db2.gz WVOPJPXSNCUXGQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001317884701 1332441307 /nfs/dbraw/zinc/44/13/07/1332441307.db2.gz WVOPJPXSNCUXGQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317884701 1332441310 /nfs/dbraw/zinc/44/13/10/1332441310.db2.gz WVOPJPXSNCUXGQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317884701 1332441313 /nfs/dbraw/zinc/44/13/13/1332441313.db2.gz WVOPJPXSNCUXGQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(=C)C)C1 ZINC001318803948 1332600711 /nfs/dbraw/zinc/60/07/11/1332600711.db2.gz HGQUAQHPPLAKQP-OALUTQOASA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(=C)C)C1 ZINC001318803948 1332600712 /nfs/dbraw/zinc/60/07/12/1332600712.db2.gz HGQUAQHPPLAKQP-OALUTQOASA-N 2 1 331.504 2.269 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001318926571 1332624824 /nfs/dbraw/zinc/62/48/24/1332624824.db2.gz WXEBJWOFQMCGPC-UHFFFAOYSA-N 2 1 339.443 2.285 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001319824893 1332777832 /nfs/dbraw/zinc/77/78/32/1332777832.db2.gz JCNZPULNRKXHST-HZPDHXFCSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001319888933 1332792841 /nfs/dbraw/zinc/79/28/41/1332792841.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001319888933 1332792844 /nfs/dbraw/zinc/79/28/44/1332792844.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001319888933 1332792846 /nfs/dbraw/zinc/79/28/46/1332792846.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001326488860 1334103145 /nfs/dbraw/zinc/10/31/45/1334103145.db2.gz APNPWXSNTACRAU-VQIMIIECSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCCC)C2 ZINC001330500589 1334859438 /nfs/dbraw/zinc/85/94/38/1334859438.db2.gz ZPLDVLPQOPUUFF-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCCC)C2 ZINC001330500589 1334859440 /nfs/dbraw/zinc/85/94/40/1334859440.db2.gz ZPLDVLPQOPUUFF-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCC)C2 ZINC001330500589 1334859445 /nfs/dbraw/zinc/85/94/45/1334859445.db2.gz ZPLDVLPQOPUUFF-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCC)C2 ZINC001330500589 1334859448 /nfs/dbraw/zinc/85/94/48/1334859448.db2.gz ZPLDVLPQOPUUFF-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378824 1335812986 /nfs/dbraw/zinc/81/29/86/1335812986.db2.gz DPRQFBHMSIBCII-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP Cc1ccc(C[N@H+]2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC001350405432 1337704616 /nfs/dbraw/zinc/70/46/16/1337704616.db2.gz PAXPCVVRGBWACK-UHFFFAOYSA-N 2 1 339.483 2.032 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001564848000 1342551049 /nfs/dbraw/zinc/55/10/49/1342551049.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001564848000 1342551053 /nfs/dbraw/zinc/55/10/53/1342551053.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001564848000 1342551058 /nfs/dbraw/zinc/55/10/58/1342551058.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 2 1 334.508 2.038 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001567731372 1342826576 /nfs/dbraw/zinc/82/65/76/1342826576.db2.gz MFVFNPBZCNJNHV-HNNXBMFYSA-N 2 1 334.464 2.096 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001567731372 1342826581 /nfs/dbraw/zinc/82/65/81/1342826581.db2.gz MFVFNPBZCNJNHV-HNNXBMFYSA-N 2 1 334.464 2.096 10 30 EEEEMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001570216270 1343034172 /nfs/dbraw/zinc/03/41/72/1343034172.db2.gz XSYAHTOYOFRJRD-IBGZPJMESA-N 2 1 329.488 2.159 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001676488555 1357157405 /nfs/dbraw/zinc/15/74/05/1357157405.db2.gz QKKBEBVGVOOFSW-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001661891386 1354719919 /nfs/dbraw/zinc/71/99/19/1354719919.db2.gz YLWKWWDVLRDYTP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001661891386 1354719921 /nfs/dbraw/zinc/71/99/21/1354719921.db2.gz YLWKWWDVLRDYTP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001661891386 1354719924 /nfs/dbraw/zinc/71/99/24/1354719924.db2.gz YLWKWWDVLRDYTP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001661891386 1354719927 /nfs/dbraw/zinc/71/99/27/1354719927.db2.gz YLWKWWDVLRDYTP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662676141 1354824752 /nfs/dbraw/zinc/82/47/52/1354824752.db2.gz YQSRFNJQBONLTN-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCC)CC1 ZINC001663123819 1354922988 /nfs/dbraw/zinc/92/29/88/1354922988.db2.gz LCXNWYWOZKKYGM-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001663201464 1354935500 /nfs/dbraw/zinc/93/55/00/1354935500.db2.gz UXTFTQINNIATGH-HKUYNNGSSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001663201464 1354935502 /nfs/dbraw/zinc/93/55/02/1354935502.db2.gz UXTFTQINNIATGH-HKUYNNGSSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001663201464 1354935504 /nfs/dbraw/zinc/93/55/04/1354935504.db2.gz UXTFTQINNIATGH-HKUYNNGSSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001663201464 1354935506 /nfs/dbraw/zinc/93/55/06/1354935506.db2.gz UXTFTQINNIATGH-HKUYNNGSSA-N 2 1 327.472 2.202 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001663597413 1354996310 /nfs/dbraw/zinc/99/63/10/1354996310.db2.gz AUBSMTHDQKACSY-UXHICEINSA-N 2 1 341.499 2.062 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673847 1355563546 /nfs/dbraw/zinc/56/35/46/1355563546.db2.gz XKBRMGCYABKFOJ-INIZCTEOSA-N 2 1 349.906 2.374 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001667197190 1355670475 /nfs/dbraw/zinc/67/04/75/1355670475.db2.gz GXKPCRAIFQVMFN-IAGOWNOFSA-N 2 1 348.491 2.036 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771886 1355812134 /nfs/dbraw/zinc/81/21/34/1355812134.db2.gz USHIAQXHJSHUNZ-PMACEKPBSA-N 2 1 341.499 2.253 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001668065417 1355859870 /nfs/dbraw/zinc/85/98/70/1355859870.db2.gz MKCXIHPLVJGOGZ-ZYSHUDEJSA-N 2 1 342.487 2.273 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001668868863 1356029417 /nfs/dbraw/zinc/02/94/17/1356029417.db2.gz SWMBIBCVLFOGDU-KKHYBRAUSA-N 2 1 339.483 2.175 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)CCC[NH+]3CCCC3)cccc2C1 ZINC001673079723 1356644343 /nfs/dbraw/zinc/64/43/43/1356644343.db2.gz LYSOHTAJUJPXHR-UHFFFAOYSA-N 2 1 339.483 2.170 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001673168546 1356651241 /nfs/dbraw/zinc/65/12/41/1356651241.db2.gz PUXCHPZNRAEAAY-KRWDZBQOSA-N 2 1 331.504 2.293 10 30 EEEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001674001414 1356769064 /nfs/dbraw/zinc/76/90/64/1356769064.db2.gz BIVGPUXIFDBVBT-GOSISDBHSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001674352725 1356822996 /nfs/dbraw/zinc/82/29/96/1356822996.db2.gz HWEFXCHIBCVPOG-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001674352725 1356822999 /nfs/dbraw/zinc/82/29/99/1356822999.db2.gz HWEFXCHIBCVPOG-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001674352725 1356823000 /nfs/dbraw/zinc/82/30/00/1356823000.db2.gz HWEFXCHIBCVPOG-HDICACEKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001674792276 1356897186 /nfs/dbraw/zinc/89/71/86/1356897186.db2.gz CJKMBHAUOFYVOK-GTPINHCMSA-N 2 1 330.476 2.389 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001675615328 1357016267 /nfs/dbraw/zinc/01/62/67/1357016267.db2.gz ULHOFUCRVUEKDX-DLBZAZTESA-N 2 1 348.491 2.178 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001692119780 1404980885 /nfs/dbraw/zinc/98/08/85/1404980885.db2.gz KMRSRNPFTIANSS-IPMKNSEASA-N 2 1 333.520 2.348 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699102568 1405256160 /nfs/dbraw/zinc/25/61/60/1405256160.db2.gz OBDWYFQWMVASRE-ZYSHUDEJSA-N 2 1 342.487 2.273 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699551202 1405387959 /nfs/dbraw/zinc/38/79/59/1405387959.db2.gz PZWZQVATAMMWGZ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001699762195 1405471836 /nfs/dbraw/zinc/47/18/36/1405471836.db2.gz NSRSGGNUFKPHBM-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743891 779232112 /nfs/dbraw/zinc/23/21/12/779232112.db2.gz DUNLSOUDOIKLPH-JKSUJKDBSA-N 2 1 339.911 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743891 779232119 /nfs/dbraw/zinc/23/21/19/779232119.db2.gz DUNLSOUDOIKLPH-JKSUJKDBSA-N 2 1 339.911 2.297 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)CC2(C)C)CC1 ZINC000941238725 780227505 /nfs/dbraw/zinc/22/75/05/780227505.db2.gz CBRYPWZACGNGFK-SFHVURJKSA-N 2 1 331.504 2.124 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC001566574618 1125754949 /nfs/dbraw/zinc/75/49/49/1125754949.db2.gz BWEVATUVZVEKDU-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543527 1090000555 /nfs/dbraw/zinc/00/05/55/1090000555.db2.gz XYNUTWREADKEAF-LSDHHAIUSA-N 2 1 348.516 2.288 10 30 EEEEMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543527 1090000568 /nfs/dbraw/zinc/00/05/68/1090000568.db2.gz XYNUTWREADKEAF-LSDHHAIUSA-N 2 1 348.516 2.288 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439113774 1091758445 /nfs/dbraw/zinc/75/84/45/1091758445.db2.gz ACQYPQNKEUVWPZ-CJNGLKHVSA-N 2 1 334.489 2.088 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439121704 1091765257 /nfs/dbraw/zinc/76/52/57/1091765257.db2.gz KTWFMLZGVRCMNW-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001442623709 1096992707 /nfs/dbraw/zinc/99/27/07/1096992707.db2.gz YLIIWGWZRYHMKJ-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP C=CCCC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001479890021 1099263767 /nfs/dbraw/zinc/26/37/67/1099263767.db2.gz VSWKDXQVIGTIDX-UHFFFAOYSA-N 2 1 334.464 2.239 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001496359612 1100952758 /nfs/dbraw/zinc/95/27/58/1100952758.db2.gz RCUDRHQVPDXKKE-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001496082594 1102028561 /nfs/dbraw/zinc/02/85/61/1102028561.db2.gz ZDNSFBUGISJYTN-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001496082594 1102028575 /nfs/dbraw/zinc/02/85/75/1102028575.db2.gz ZDNSFBUGISJYTN-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001497681971 1102893138 /nfs/dbraw/zinc/89/31/38/1102893138.db2.gz XHPURNHXNJKSAU-WWJLMDQWSA-N 2 1 330.476 2.371 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001448244605 1104236125 /nfs/dbraw/zinc/23/61/25/1104236125.db2.gz GKLFXDBZXLYSFM-OALUTQOASA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)Cc1csc(C)c1 ZINC001493296615 1107882104 /nfs/dbraw/zinc/88/21/04/1107882104.db2.gz LZVKAAJVKHFLAG-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1csc(C)c1 ZINC001493296615 1107882120 /nfs/dbraw/zinc/88/21/20/1107882120.db2.gz LZVKAAJVKHFLAG-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1csc(C)c1 ZINC001493296615 1107882136 /nfs/dbraw/zinc/88/21/36/1107882136.db2.gz LZVKAAJVKHFLAG-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1csc(C)c1 ZINC001493296615 1107882160 /nfs/dbraw/zinc/88/21/60/1107882160.db2.gz LZVKAAJVKHFLAG-SFHVURJKSA-N 2 1 347.528 2.482 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCCCC)C[C@H]32)CC1 ZINC001506828401 1114898625 /nfs/dbraw/zinc/89/86/25/1114898625.db2.gz NULVCICXCRAGLD-OWZKRDHZSA-N 2 1 345.531 2.206 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001507969933 1115382093 /nfs/dbraw/zinc/38/20/93/1115382093.db2.gz MWDJRQABNSPOPI-MRXNPFEDSA-N 2 1 336.480 2.437 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001568224672 1124369295 /nfs/dbraw/zinc/36/92/95/1124369295.db2.gz ICKZPMCLPMCPDQ-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001568277534 1124400211 /nfs/dbraw/zinc/40/02/11/1124400211.db2.gz AGVMGDDJVAJRBA-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001568277534 1124400215 /nfs/dbraw/zinc/40/02/15/1124400215.db2.gz AGVMGDDJVAJRBA-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001568363054 1124438499 /nfs/dbraw/zinc/43/84/99/1124438499.db2.gz NUIJPBMLWUREBA-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568643144 1124656167 /nfs/dbraw/zinc/65/61/67/1124656167.db2.gz XLYCPOQDKMJCEW-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1C ZINC001568748947 1124763707 /nfs/dbraw/zinc/76/37/07/1124763707.db2.gz QWZJWXXMSUZIPH-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1C ZINC001568748947 1124763713 /nfs/dbraw/zinc/76/37/13/1124763713.db2.gz QWZJWXXMSUZIPH-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)CC1 ZINC000566631340 468155861 /nfs/dbraw/zinc/15/58/61/468155861.db2.gz VVVZWXZNXSIHSX-WMZOPIPTSA-N 2 1 346.519 2.381 10 30 EEEEMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594435411 468585316 /nfs/dbraw/zinc/58/53/16/468585316.db2.gz DVQVIVVECNYHKK-MSOLQXFVSA-N 2 1 328.460 2.131 10 30 EEEEMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261940452 682497547 /nfs/dbraw/zinc/49/75/47/682497547.db2.gz DLILBJZXRLYOIF-IUODEOHRSA-N 2 1 337.537 2.196 10 30 EEEEMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303258549 686731238 /nfs/dbraw/zinc/73/12/38/686731238.db2.gz KXSFCSQUUOYOCK-GJZGRUSLSA-N 2 1 336.505 2.043 10 30 EEEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001272700463 1191863559 /nfs/dbraw/zinc/86/35/59/1191863559.db2.gz JQBZQPUSQRTKKZ-IAGOWNOFSA-N 2 1 327.472 2.319 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485658520 1191878551 /nfs/dbraw/zinc/87/85/51/1191878551.db2.gz VQYJDKLNKDBJTR-UFYCRDLUSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001485739063 1191916380 /nfs/dbraw/zinc/91/63/80/1191916380.db2.gz KRNJRPXOJHBOKS-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266837430 1177515232 /nfs/dbraw/zinc/51/52/32/1177515232.db2.gz OTLXDUMWZFYOJI-ZWKOTPCHSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266837430 1177515234 /nfs/dbraw/zinc/51/52/34/1177515234.db2.gz OTLXDUMWZFYOJI-ZWKOTPCHSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266837430 1177515238 /nfs/dbraw/zinc/51/52/38/1177515238.db2.gz OTLXDUMWZFYOJI-ZWKOTPCHSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266837430 1177515241 /nfs/dbraw/zinc/51/52/41/1177515241.db2.gz OTLXDUMWZFYOJI-ZWKOTPCHSA-N 2 1 339.524 2.258 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001691165637 1177660721 /nfs/dbraw/zinc/66/07/21/1177660721.db2.gz CMQGKZURJKOTEG-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001691165637 1177660726 /nfs/dbraw/zinc/66/07/26/1177660726.db2.gz CMQGKZURJKOTEG-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266878898 1177691100 /nfs/dbraw/zinc/69/11/00/1177691100.db2.gz MMDVAXXZNOCYBE-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267196930 1178474199 /nfs/dbraw/zinc/47/41/99/1178474199.db2.gz ODBWNRDFMNCGAT-IEBWSBKVSA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267320016 1178749993 /nfs/dbraw/zinc/74/99/93/1178749993.db2.gz XSZDWHYSZKSGDV-HXUWFJFHSA-N 2 1 343.515 2.453 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001267496211 1179177543 /nfs/dbraw/zinc/17/75/43/1179177543.db2.gz OYPIAFUGVDPXEK-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)c1cnn(-c2ccncc2)c1)C(C)C ZINC001267511306 1179222094 /nfs/dbraw/zinc/22/20/94/1179222094.db2.gz KGVKEEFEUXPNRQ-UHFFFAOYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CC[N@@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001267511306 1179222104 /nfs/dbraw/zinc/22/21/04/1179222104.db2.gz KGVKEEFEUXPNRQ-UHFFFAOYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001267511306 1179222112 /nfs/dbraw/zinc/22/21/12/1179222112.db2.gz KGVKEEFEUXPNRQ-UHFFFAOYSA-N 2 1 327.432 2.284 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584041 /nfs/dbraw/zinc/58/40/41/1179584041.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584045 /nfs/dbraw/zinc/58/40/45/1179584045.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584049 /nfs/dbraw/zinc/58/40/49/1179584049.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCCC)CC1 ZINC001481335511 1181062593 /nfs/dbraw/zinc/06/25/93/1181062593.db2.gz QCXFLHQLAMSFRK-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCCC)CC1 ZINC001481335511 1181062598 /nfs/dbraw/zinc/06/25/98/1181062598.db2.gz QCXFLHQLAMSFRK-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001481510344 1181599786 /nfs/dbraw/zinc/59/97/86/1181599786.db2.gz UUWIXTUEUVQMPS-MSOLQXFVSA-N 2 1 333.520 2.158 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292226 1182183983 /nfs/dbraw/zinc/18/39/83/1182183983.db2.gz WKXZBHFQGXYNFI-VQTJNVASSA-N 2 1 341.499 2.254 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820651 1182749564 /nfs/dbraw/zinc/74/95/64/1182749564.db2.gz GWTDTIUUFVKEEF-RBUKOAKNSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001482015833 1183134005 /nfs/dbraw/zinc/13/40/05/1183134005.db2.gz JUSUILBYGFYOTC-BZSNNMDCSA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001268691013 1183614365 /nfs/dbraw/zinc/61/43/65/1183614365.db2.gz YPXGUCZPRSOUSG-JXFKEZNVSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001268691013 1183614371 /nfs/dbraw/zinc/61/43/71/1183614371.db2.gz YPXGUCZPRSOUSG-JXFKEZNVSA-N 2 1 339.483 2.256 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001270030994 1184800465 /nfs/dbraw/zinc/80/04/65/1184800465.db2.gz IQVVECOJYAIDCS-IYARVYRRSA-N 2 1 337.508 2.082 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001270427329 1185093890 /nfs/dbraw/zinc/09/38/90/1185093890.db2.gz MIYXCOVFQWSYBI-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001270427329 1185093897 /nfs/dbraw/zinc/09/38/97/1185093897.db2.gz MIYXCOVFQWSYBI-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001482329870 1185411995 /nfs/dbraw/zinc/41/19/95/1185411995.db2.gz FOUWCOUJECUMHP-BBRMVZONSA-N 2 1 333.879 2.388 10 30 EEEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482392797 1185597852 /nfs/dbraw/zinc/59/78/52/1185597852.db2.gz IZADYKBQBIARLB-IAGOWNOFSA-N 2 1 332.492 2.451 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001482430907 1185693255 /nfs/dbraw/zinc/69/32/55/1185693255.db2.gz AALXMJQPNABTNA-DOTOQJQBSA-N 2 1 346.475 2.287 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552275 1186669327 /nfs/dbraw/zinc/66/93/27/1186669327.db2.gz CMHGZSREODYAOK-QUCCMNQESA-N 2 1 341.499 2.110 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001482553141 1186701759 /nfs/dbraw/zinc/70/17/59/1186701759.db2.gz NAFQVPVZNXFREI-AABGKKOBSA-N 2 1 341.499 2.086 10 30 EEEEMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001670923900 1193528352 /nfs/dbraw/zinc/52/83/52/1193528352.db2.gz REWITUBQDIVXRE-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670923900 1193528354 /nfs/dbraw/zinc/52/83/54/1193528354.db2.gz REWITUBQDIVXRE-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670923900 1193528357 /nfs/dbraw/zinc/52/83/57/1193528357.db2.gz REWITUBQDIVXRE-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001272158199 1187965111 /nfs/dbraw/zinc/96/51/11/1187965111.db2.gz DWMZEVXZUMKOCJ-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001272158199 1187965120 /nfs/dbraw/zinc/96/51/20/1187965120.db2.gz DWMZEVXZUMKOCJ-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001272158199 1187965123 /nfs/dbraw/zinc/96/51/23/1187965123.db2.gz DWMZEVXZUMKOCJ-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001272158199 1187965125 /nfs/dbraw/zinc/96/51/25/1187965125.db2.gz DWMZEVXZUMKOCJ-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001483137072 1188692162 /nfs/dbraw/zinc/69/21/62/1188692162.db2.gz JZZAHYGRNGUGLC-VKJFTORMSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001483137072 1188692165 /nfs/dbraw/zinc/69/21/65/1188692165.db2.gz JZZAHYGRNGUGLC-VKJFTORMSA-N 2 1 331.435 2.079 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001483976446 1191138515 /nfs/dbraw/zinc/13/85/15/1191138515.db2.gz KJNAGGQQWXBJRF-UHFFFAOYSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771265 1191514021 /nfs/dbraw/zinc/51/40/21/1191514021.db2.gz QTIXMCIACGYWDE-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987566 1191603651 /nfs/dbraw/zinc/60/36/51/1191603651.db2.gz CGYPSJAXICKCDD-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987566 1191603652 /nfs/dbraw/zinc/60/36/52/1191603652.db2.gz CGYPSJAXICKCDD-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987566 1191603653 /nfs/dbraw/zinc/60/36/53/1191603653.db2.gz CGYPSJAXICKCDD-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484987566 1191603654 /nfs/dbraw/zinc/60/36/54/1191603654.db2.gz CGYPSJAXICKCDD-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001485206444 1191693180 /nfs/dbraw/zinc/69/31/80/1191693180.db2.gz AZJHQBPRZAGAAF-LSDHHAIUSA-N 2 1 327.432 2.330 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001486211042 1193751459 /nfs/dbraw/zinc/75/14/59/1193751459.db2.gz AGXPRBWMXSUFFX-HZPDHXFCSA-N 2 1 346.475 2.335 10 30 EEEEMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001274885233 1205196750 /nfs/dbraw/zinc/19/67/50/1205196750.db2.gz GHGZVACJXHPOTP-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275081329 1205251302 /nfs/dbraw/zinc/25/13/02/1205251302.db2.gz UQDCNLOAJQBUBH-VAMGGRTRSA-N 2 1 339.483 2.112 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001275108892 1205259132 /nfs/dbraw/zinc/25/91/32/1205259132.db2.gz QIOKWYSVRKGPIE-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001275108892 1205259134 /nfs/dbraw/zinc/25/91/34/1205259134.db2.gz QIOKWYSVRKGPIE-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001275129649 1205263971 /nfs/dbraw/zinc/26/39/71/1205263971.db2.gz ZWLAKQGJWCZEIH-LJQANCHMSA-N 2 1 341.499 2.350 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275135091 1205264895 /nfs/dbraw/zinc/26/48/95/1205264895.db2.gz FYSGYPOUHFNEIE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275135091 1205264898 /nfs/dbraw/zinc/26/48/98/1205264898.db2.gz FYSGYPOUHFNEIE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001275135091 1205264900 /nfs/dbraw/zinc/26/49/00/1205264900.db2.gz FYSGYPOUHFNEIE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182994 1205276215 /nfs/dbraw/zinc/27/62/15/1205276215.db2.gz AWILKACSMXAXIG-UXHICEINSA-N 2 1 345.531 2.446 10 30 EEEEMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC1CCCCC1 ZINC000303772290 1213903561 /nfs/dbraw/zinc/90/35/61/1213903561.db2.gz DLVZGGQZZJNKDE-UHFFFAOYSA-N 2 1 330.476 2.256 10 30 EEEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001276318420 1215696278 /nfs/dbraw/zinc/69/62/78/1215696278.db2.gz BQPCSLTYWXMUQM-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318420 1215696281 /nfs/dbraw/zinc/69/62/81/1215696281.db2.gz BQPCSLTYWXMUQM-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318420 1215696283 /nfs/dbraw/zinc/69/62/83/1215696283.db2.gz BQPCSLTYWXMUQM-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001276327141 1215734604 /nfs/dbraw/zinc/73/46/04/1215734604.db2.gz QBTUXNSVPZXRKJ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001276327141 1215734608 /nfs/dbraw/zinc/73/46/08/1215734608.db2.gz QBTUXNSVPZXRKJ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001276327141 1215734611 /nfs/dbraw/zinc/73/46/11/1215734611.db2.gz QBTUXNSVPZXRKJ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001276327141 1215734613 /nfs/dbraw/zinc/73/46/13/1215734613.db2.gz QBTUXNSVPZXRKJ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491018310 1258574560 /nfs/dbraw/zinc/57/45/60/1258574560.db2.gz DJRNNYYUQVLKDV-KURKYZTESA-N 2 1 349.519 2.080 10 30 EEEEMP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001277541638 1303861881 /nfs/dbraw/zinc/86/18/81/1303861881.db2.gz ITEXVQVZMDLIDX-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001278200862 1306285928 /nfs/dbraw/zinc/28/59/28/1306285928.db2.gz VYXFESVYRSYLJQ-VOTSOKGWSA-N 2 1 342.487 2.474 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001264436482 1322701779 /nfs/dbraw/zinc/70/17/79/1322701779.db2.gz BYNAHVYJIYWZDD-BHIYHBOVSA-N 2 1 327.472 2.187 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001266088062 1323645201 /nfs/dbraw/zinc/64/52/01/1323645201.db2.gz KXNPAJTXSGXXSL-FQEVSTJZSA-N 2 1 341.499 2.333 10 30 EEEEMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001279236367 1323855395 /nfs/dbraw/zinc/85/53/95/1323855395.db2.gz DJKNGGBDFVOACQ-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001279236367 1323855400 /nfs/dbraw/zinc/85/54/00/1323855400.db2.gz DJKNGGBDFVOACQ-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001281670087 1325387398 /nfs/dbraw/zinc/38/73/98/1325387398.db2.gz LUCCHTJYGHLWHQ-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316667691 1330192803 /nfs/dbraw/zinc/19/28/03/1330192803.db2.gz ZQRQJPOGIZPYQI-QXAKKESOSA-N 2 1 327.472 2.187 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317162473 1332106416 /nfs/dbraw/zinc/10/64/16/1332106416.db2.gz UATRUYWGHJFMFJ-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001317260207 1332156794 /nfs/dbraw/zinc/15/67/94/1332156794.db2.gz VYBXHNMVFVIIEQ-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001317260207 1332156795 /nfs/dbraw/zinc/15/67/95/1332156795.db2.gz VYBXHNMVFVIIEQ-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001323736524 1333527909 /nfs/dbraw/zinc/52/79/09/1333527909.db2.gz QYJIDJHDRWUMIA-UHFFFAOYSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001324160569 1333620903 /nfs/dbraw/zinc/62/09/03/1333620903.db2.gz AQMSWECUBQJLQM-MAUKXSAKSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001324160569 1333620906 /nfs/dbraw/zinc/62/09/06/1333620906.db2.gz AQMSWECUBQJLQM-MAUKXSAKSA-N 2 1 345.491 2.337 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001325703045 1333943960 /nfs/dbraw/zinc/94/39/60/1333943960.db2.gz VRBZXSFYTQWTOW-UXHICEINSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001326525451 1334109656 /nfs/dbraw/zinc/10/96/56/1334109656.db2.gz NVTJAYQYYWDQDL-GUDVDZBRSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309799 1334264261 /nfs/dbraw/zinc/26/42/61/1334264261.db2.gz YCBNNSRIJBCFAW-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467318 1334463321 /nfs/dbraw/zinc/46/33/21/1334463321.db2.gz CQBROJIAIUUBSE-OALUTQOASA-N 2 1 329.488 2.474 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467318 1334463322 /nfs/dbraw/zinc/46/33/22/1334463322.db2.gz CQBROJIAIUUBSE-OALUTQOASA-N 2 1 329.488 2.474 10 30 EEEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001328915395 1334547302 /nfs/dbraw/zinc/54/73/02/1334547302.db2.gz LKOAVVSTQZNPIN-HFPIOELMSA-N 2 1 341.499 2.392 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331295647 1334992378 /nfs/dbraw/zinc/99/23/78/1334992378.db2.gz LPUXIJCOZCOUBO-GOSISDBHSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001566711314 1342610082 /nfs/dbraw/zinc/61/00/82/1342610082.db2.gz LUQPPMFDOJPOHD-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001566711314 1342610085 /nfs/dbraw/zinc/61/00/85/1342610085.db2.gz LUQPPMFDOJPOHD-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566740208 1342620078 /nfs/dbraw/zinc/62/00/78/1342620078.db2.gz SENMZSDOOIYPAW-IEBWSBKVSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871975 1342643291 /nfs/dbraw/zinc/64/32/91/1342643291.db2.gz OTYGDPQMPRDRDZ-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871975 1342643294 /nfs/dbraw/zinc/64/32/94/1342643294.db2.gz OTYGDPQMPRDRDZ-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871975 1342643297 /nfs/dbraw/zinc/64/32/97/1342643297.db2.gz OTYGDPQMPRDRDZ-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CCC)cccc2C1 ZINC001570079185 1343010039 /nfs/dbraw/zinc/01/00/39/1343010039.db2.gz OZIYTPMFCGTRGJ-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CCC)cccc2C1 ZINC001570079185 1343010042 /nfs/dbraw/zinc/01/00/42/1343010042.db2.gz OZIYTPMFCGTRGJ-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP CC#CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CCC)cccc2C1 ZINC001570079185 1343010048 /nfs/dbraw/zinc/01/00/48/1343010048.db2.gz OZIYTPMFCGTRGJ-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001676847351 1357220284 /nfs/dbraw/zinc/22/02/84/1357220284.db2.gz WYLFCDBFVBYVEI-OKZBNKHCSA-N 2 1 342.487 2.247 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001641479340 1352721676 /nfs/dbraw/zinc/72/16/76/1352721676.db2.gz YKTPYQPISOPFRI-IBGZPJMESA-N 2 1 329.488 2.473 10 30 EEEEMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001656619021 1354252692 /nfs/dbraw/zinc/25/26/92/1354252692.db2.gz VCUYAYYIBJECDR-FCGDIQPGSA-N 2 1 333.520 2.347 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142963 1354597218 /nfs/dbraw/zinc/59/72/18/1354597218.db2.gz PNWWEDMDFXNAIT-VQTJNVASSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977031 1354731914 /nfs/dbraw/zinc/73/19/14/1354731914.db2.gz IWMBVIYYTVGGBX-QZTJIDSGSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859831 1355245400 /nfs/dbraw/zinc/24/54/00/1355245400.db2.gz XMHPGQBHBIIRIK-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001666345254 1355514748 /nfs/dbraw/zinc/51/47/48/1355514748.db2.gz YUKUCLUKJVCIRE-FQEVSTJZSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(CC)c1 ZINC001668091980 1355868081 /nfs/dbraw/zinc/86/80/81/1355868081.db2.gz GOVZVAVGCZOEHD-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(CC)c1 ZINC001668091980 1355868087 /nfs/dbraw/zinc/86/80/87/1355868087.db2.gz GOVZVAVGCZOEHD-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001669584672 1356179683 /nfs/dbraw/zinc/17/96/83/1356179683.db2.gz UPWBFMVUGXUFHF-VDGAXYAQSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001669584672 1356179688 /nfs/dbraw/zinc/17/96/88/1356179688.db2.gz UPWBFMVUGXUFHF-VDGAXYAQSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145439 1356797554 /nfs/dbraw/zinc/79/75/54/1356797554.db2.gz JAMNTKYQLBGGAE-MOPGFXCFSA-N 2 1 346.519 2.082 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)C1 ZINC001674145439 1356797557 /nfs/dbraw/zinc/79/75/57/1356797557.db2.gz JAMNTKYQLBGGAE-MOPGFXCFSA-N 2 1 346.519 2.082 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001674271274 1356809703 /nfs/dbraw/zinc/80/97/03/1356809703.db2.gz FEMOXCJWSPMOBE-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001674271274 1356809708 /nfs/dbraw/zinc/80/97/08/1356809708.db2.gz FEMOXCJWSPMOBE-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001674271274 1356809711 /nfs/dbraw/zinc/80/97/11/1356809711.db2.gz FEMOXCJWSPMOBE-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001674271274 1356809714 /nfs/dbraw/zinc/80/97/14/1356809714.db2.gz FEMOXCJWSPMOBE-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962037 1404968746 /nfs/dbraw/zinc/96/87/46/1404968746.db2.gz WMEIIAFBYOKIMX-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691962037 1404968755 /nfs/dbraw/zinc/96/87/55/1404968755.db2.gz WMEIIAFBYOKIMX-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691962037 1404968768 /nfs/dbraw/zinc/96/87/68/1404968768.db2.gz WMEIIAFBYOKIMX-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CCCCC1 ZINC001698879486 1405125307 /nfs/dbraw/zinc/12/53/07/1405125307.db2.gz IXDPJVLVPOCLCK-MSOLQXFVSA-N 2 1 337.483 2.098 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CCCCC1 ZINC001698879486 1405125314 /nfs/dbraw/zinc/12/53/14/1405125314.db2.gz IXDPJVLVPOCLCK-MSOLQXFVSA-N 2 1 337.483 2.098 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001699383522 1405344660 /nfs/dbraw/zinc/34/46/60/1405344660.db2.gz UAUQYRMUZLYZDP-OAHLLOKOSA-N 2 1 335.879 2.128 10 30 EEEEMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820086502 785784217 /nfs/dbraw/zinc/78/42/17/785784217.db2.gz GHQWRIDBKGEKEX-MAUKXSAKSA-N 2 1 348.466 2.071 10 30 EEEEMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820086502 785784222 /nfs/dbraw/zinc/78/42/22/785784222.db2.gz GHQWRIDBKGEKEX-MAUKXSAKSA-N 2 1 348.466 2.071 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163904 1089178409 /nfs/dbraw/zinc/17/84/09/1089178409.db2.gz KUGVPWHKTVBERW-RHSMWYFYSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445573112 1091353100 /nfs/dbraw/zinc/35/31/00/1091353100.db2.gz PYLJBVIUQZJGHP-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C=C(Br)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001446300044 1092468009 /nfs/dbraw/zinc/46/80/09/1092468009.db2.gz RUIUYGUTLXZVOG-STQMWFEESA-N 2 1 344.297 2.006 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001440825013 1094077334 /nfs/dbraw/zinc/07/73/34/1094077334.db2.gz BOXZLXMSUGUNCY-QWHCGFSZSA-N 2 1 333.823 2.116 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441658357 1095624503 /nfs/dbraw/zinc/62/45/03/1095624503.db2.gz XQVNRMPAZNZDEU-HRCADAONSA-N 2 1 327.900 2.440 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854411 1095945701 /nfs/dbraw/zinc/94/57/01/1095945701.db2.gz DROAEIRQGOOIHW-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854411 1095945718 /nfs/dbraw/zinc/94/57/18/1095945718.db2.gz DROAEIRQGOOIHW-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001479696208 1098765284 /nfs/dbraw/zinc/76/52/84/1098765284.db2.gz USYGIQFLPAKCBH-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001479696208 1098765289 /nfs/dbraw/zinc/76/52/89/1098765289.db2.gz USYGIQFLPAKCBH-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479835164 1099118272 /nfs/dbraw/zinc/11/82/72/1099118272.db2.gz UTLDDNJQRFZFOK-FUHWJXTLSA-N 2 1 330.476 2.354 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480286027 1099993189 /nfs/dbraw/zinc/99/31/89/1099993189.db2.gz NWASGINTRZKPCP-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496404902 1100998992 /nfs/dbraw/zinc/99/89/92/1100998992.db2.gz VGELDUHOTJRCJT-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001496082595 1102027317 /nfs/dbraw/zinc/02/73/17/1102027317.db2.gz ZDNSFBUGISJYTN-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001496082595 1102027330 /nfs/dbraw/zinc/02/73/30/1102027330.db2.gz ZDNSFBUGISJYTN-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001447870833 1103483903 /nfs/dbraw/zinc/48/39/03/1103483903.db2.gz QQCILKAESUUANI-KGLIPLIRSA-N 2 1 346.450 2.164 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653366 /nfs/dbraw/zinc/65/33/66/1103653366.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 2 1 342.487 2.179 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653369 /nfs/dbraw/zinc/65/33/69/1103653369.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 2 1 342.487 2.179 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653380 /nfs/dbraw/zinc/65/33/80/1103653380.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 2 1 342.487 2.179 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495058074 1104695509 /nfs/dbraw/zinc/69/55/09/1104695509.db2.gz MQJHIHPSEOCDMP-BBRMVZONSA-N 2 1 333.879 2.436 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197904 1107066400 /nfs/dbraw/zinc/06/64/00/1107066400.db2.gz ZUISGNBSPAWSNK-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001493846973 1108729991 /nfs/dbraw/zinc/72/99/91/1108729991.db2.gz MLVZTYLEGNKKAM-LSDHHAIUSA-N 2 1 327.900 2.297 10 30 EEEEMP C=CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC001461218337 1110337708 /nfs/dbraw/zinc/33/77/08/1110337708.db2.gz HBHVSTMRQMICKQ-GOSISDBHSA-N 2 1 338.459 2.030 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001501182003 1113231579 /nfs/dbraw/zinc/23/15/79/1113231579.db2.gz XUBWTZQKEZQUPV-FHWLQOOXSA-N 2 1 333.520 2.252 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568393373 1124463660 /nfs/dbraw/zinc/46/36/60/1124463660.db2.gz KRIMVNWVLVYSBU-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000328982925 465192087 /nfs/dbraw/zinc/19/20/87/465192087.db2.gz FKIYDOWVWONQTE-NBOOPKSLSA-N 2 1 347.507 2.490 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000328982925 465192095 /nfs/dbraw/zinc/19/20/95/465192095.db2.gz FKIYDOWVWONQTE-NBOOPKSLSA-N 2 1 347.507 2.490 10 30 EEEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000186225102 463956104 /nfs/dbraw/zinc/95/61/04/463956104.db2.gz HXSIUKJMVBTDMQ-HXUWFJFHSA-N 2 1 326.488 2.469 10 30 EEEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000186225102 463956112 /nfs/dbraw/zinc/95/61/12/463956112.db2.gz HXSIUKJMVBTDMQ-HXUWFJFHSA-N 2 1 326.488 2.469 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000424179388 466998819 /nfs/dbraw/zinc/99/88/19/466998819.db2.gz YVTKKJYIOAAPBZ-OWCLPIDISA-N 2 1 334.851 2.223 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000424179388 466998824 /nfs/dbraw/zinc/99/88/24/466998824.db2.gz YVTKKJYIOAAPBZ-OWCLPIDISA-N 2 1 334.851 2.223 10 30 EEEEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000610989566 469132288 /nfs/dbraw/zinc/13/22/88/469132288.db2.gz OFXNUVOKBBVRNN-POAQFYNOSA-N 2 1 345.487 2.154 10 30 EEEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1CCC(C(F)(F)F)CC1 ZINC000262556118 687117007 /nfs/dbraw/zinc/11/70/07/687117007.db2.gz UYMFSTVRHOMPPJ-MOKVOYLWSA-N 2 1 334.430 2.472 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266339553 1176332799 /nfs/dbraw/zinc/33/27/99/1176332799.db2.gz SRIUMSIUKDZLBY-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266339553 1176332815 /nfs/dbraw/zinc/33/28/15/1176332815.db2.gz SRIUMSIUKDZLBY-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001671503900 1176859769 /nfs/dbraw/zinc/85/97/69/1176859769.db2.gz GTEHTMWMCDDAOU-IPLHWJFFSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cccc1Cl ZINC001691349977 1177949393 /nfs/dbraw/zinc/94/93/93/1177949393.db2.gz IMYCDXUFMDWMSI-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cccc1Cl ZINC001691349977 1177949401 /nfs/dbraw/zinc/94/94/01/1177949401.db2.gz IMYCDXUFMDWMSI-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001267115501 1178277934 /nfs/dbraw/zinc/27/79/34/1178277934.db2.gz VJCHPLCQEILJLD-VWTAQGJOSA-N 2 1 337.895 2.007 10 30 EEEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001267201445 1178486879 /nfs/dbraw/zinc/48/68/79/1178486879.db2.gz OLCPJMSDYFUROX-WMLDXEAASA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001267233352 1178560070 /nfs/dbraw/zinc/56/00/70/1178560070.db2.gz SKIMSTZBRMCWPI-FQEVSTJZSA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267576638 1179490507 /nfs/dbraw/zinc/49/05/07/1179490507.db2.gz UULCVLCVRZYOBH-IBGZPJMESA-N 2 1 341.499 2.256 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC001268648710 1183577268 /nfs/dbraw/zinc/57/72/68/1183577268.db2.gz SWIXUOYKKPAPOU-NEWSRXKRSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC001268648710 1183577272 /nfs/dbraw/zinc/57/72/72/1183577272.db2.gz SWIXUOYKKPAPOU-NEWSRXKRSA-N 2 1 327.472 2.330 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738820 1183656990 /nfs/dbraw/zinc/65/69/90/1183656990.db2.gz VGCKBDFVPUPNDC-SFHVURJKSA-N 2 1 339.483 2.103 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738820 1183656993 /nfs/dbraw/zinc/65/69/93/1183656993.db2.gz VGCKBDFVPUPNDC-SFHVURJKSA-N 2 1 339.483 2.103 10 30 EEEEMP C=CCOCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278848 1184129869 /nfs/dbraw/zinc/12/98/69/1184129869.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001269278848 1184129877 /nfs/dbraw/zinc/12/98/77/1184129877.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001269278848 1184129878 /nfs/dbraw/zinc/12/98/78/1184129878.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278848 1184129879 /nfs/dbraw/zinc/12/98/79/1184129879.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278848 1184129885 /nfs/dbraw/zinc/12/98/85/1184129885.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001270965579 1185776867 /nfs/dbraw/zinc/77/68/67/1185776867.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCCN(C/C=C/Cl)C1 ZINC001270965579 1185776871 /nfs/dbraw/zinc/77/68/71/1185776871.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001483019443 1188006766 /nfs/dbraw/zinc/00/67/66/1188006766.db2.gz JUOJTQHXOGBCNC-KJBZUCPPSA-N 2 1 337.467 2.034 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001483019443 1188006768 /nfs/dbraw/zinc/00/67/68/1188006768.db2.gz JUOJTQHXOGBCNC-KJBZUCPPSA-N 2 1 337.467 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001483471315 1190493707 /nfs/dbraw/zinc/49/37/07/1190493707.db2.gz IIQNALOMCMLSEB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001483471315 1190493708 /nfs/dbraw/zinc/49/37/08/1190493708.db2.gz IIQNALOMCMLSEB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001484160910 1191248971 /nfs/dbraw/zinc/24/89/71/1191248971.db2.gz PLJQYNCHFPVHEV-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001484160910 1191248974 /nfs/dbraw/zinc/24/89/74/1191248974.db2.gz PLJQYNCHFPVHEV-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001484160910 1191248975 /nfs/dbraw/zinc/24/89/75/1191248975.db2.gz PLJQYNCHFPVHEV-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001484160910 1191248978 /nfs/dbraw/zinc/24/89/78/1191248978.db2.gz PLJQYNCHFPVHEV-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484545509 1191407828 /nfs/dbraw/zinc/40/78/28/1191407828.db2.gz QRYGMTCIMFFJIW-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001484558384 1191414798 /nfs/dbraw/zinc/41/47/98/1191414798.db2.gz FIPFLDPNJCJGPU-QFBILLFUSA-N 2 1 327.472 2.461 10 30 EEEEMP CC#CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001484612092 1191437197 /nfs/dbraw/zinc/43/71/97/1191437197.db2.gz HLACHBASFGLUOY-LJQANCHMSA-N 2 1 327.472 2.024 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982819 1191600953 /nfs/dbraw/zinc/60/09/53/1191600953.db2.gz NPBCCDWMEVLMOK-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982819 1191600955 /nfs/dbraw/zinc/60/09/55/1191600955.db2.gz NPBCCDWMEVLMOK-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982819 1191600957 /nfs/dbraw/zinc/60/09/57/1191600957.db2.gz NPBCCDWMEVLMOK-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001485242310 1191706605 /nfs/dbraw/zinc/70/66/05/1191706605.db2.gz YMHLGKSMDIPNLB-AOCRQIFASA-N 2 1 342.487 2.136 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001485442808 1191786804 /nfs/dbraw/zinc/78/68/04/1191786804.db2.gz BJSXDVUCJOZGTP-HKUYNNGSSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1F ZINC001273428640 1198812213 /nfs/dbraw/zinc/81/22/13/1198812213.db2.gz WVILGEDGZFKCIM-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1F ZINC001273428640 1198812218 /nfs/dbraw/zinc/81/22/18/1198812218.db2.gz WVILGEDGZFKCIM-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275574185 1205423240 /nfs/dbraw/zinc/42/32/40/1205423240.db2.gz PURIWHBYDAWXIB-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C[NH+](C)C1CCC1 ZINC001275574185 1205423245 /nfs/dbraw/zinc/42/32/45/1205423245.db2.gz PURIWHBYDAWXIB-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001275574185 1205423247 /nfs/dbraw/zinc/42/32/47/1205423247.db2.gz PURIWHBYDAWXIB-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275574185 1205423250 /nfs/dbraw/zinc/42/32/50/1205423250.db2.gz PURIWHBYDAWXIB-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001273624137 1281585450 /nfs/dbraw/zinc/58/54/50/1281585450.db2.gz PTRMQVQORRFICI-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001273624137 1281585454 /nfs/dbraw/zinc/58/54/54/1281585454.db2.gz PTRMQVQORRFICI-ROUUACIJSA-N 2 1 349.519 2.129 10 30 EEEEMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001490255434 1291077650 /nfs/dbraw/zinc/07/76/50/1291077650.db2.gz CLMIULSXKYLZKI-UHFFFAOYSA-N 2 1 342.487 2.228 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440493 1291310535 /nfs/dbraw/zinc/31/05/35/1291310535.db2.gz LILCHQKEAACYKR-HKUYNNGSSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490440493 1291310540 /nfs/dbraw/zinc/31/05/40/1291310540.db2.gz LILCHQKEAACYKR-HKUYNNGSSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001490440493 1291310545 /nfs/dbraw/zinc/31/05/45/1291310545.db2.gz LILCHQKEAACYKR-HKUYNNGSSA-N 2 1 349.519 2.177 10 30 EEEEMP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760695 1292189838 /nfs/dbraw/zinc/18/98/38/1292189838.db2.gz LUMOCMNUYWVZKJ-IBGZPJMESA-N 2 1 331.460 2.370 10 30 EEEEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760695 1292189843 /nfs/dbraw/zinc/18/98/43/1292189843.db2.gz LUMOCMNUYWVZKJ-IBGZPJMESA-N 2 1 331.460 2.370 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863862 1292219419 /nfs/dbraw/zinc/21/94/19/1292219419.db2.gz SNLXQKYARCXTNU-IEBWSBKVSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870821 1292222884 /nfs/dbraw/zinc/22/28/84/1292222884.db2.gz GSMKQRHEQFGMII-XLIONFOSSA-N 2 1 339.483 2.016 10 30 EEEEMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCCC#N)C2)ccn1 ZINC000856604804 1293579103 /nfs/dbraw/zinc/57/91/03/1293579103.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 2 1 346.475 2.305 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOCCC#N)C2)ccn1 ZINC000856604804 1293579109 /nfs/dbraw/zinc/57/91/09/1293579109.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 2 1 346.475 2.305 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOCCC#N)C2)ccn1 ZINC000856604804 1293579115 /nfs/dbraw/zinc/57/91/15/1293579115.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 2 1 346.475 2.305 10 30 EEEEMP C#CC[C@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000862573866 1295885924 /nfs/dbraw/zinc/88/59/24/1295885924.db2.gz FWKUFGKLFIKGAR-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001277496213 1303680100 /nfs/dbraw/zinc/68/01/00/1303680100.db2.gz PXZBYGLXPIKVKX-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001278184067 1306208861 /nfs/dbraw/zinc/20/88/61/1306208861.db2.gz GWZPWCFAAVGAEF-IRXDYDNUSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434721 1310254755 /nfs/dbraw/zinc/25/47/55/1310254755.db2.gz UXVVLJPQNBUZIY-VQIMIIECSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001263923422 1322554984 /nfs/dbraw/zinc/55/49/84/1322554984.db2.gz LEMSGVFNKPFHSD-DOTOQJQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001264586118 1322740067 /nfs/dbraw/zinc/74/00/67/1322740067.db2.gz LLGLLECBTQUGKY-KBAYOESNSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001264586118 1322740070 /nfs/dbraw/zinc/74/00/70/1322740070.db2.gz LLGLLECBTQUGKY-KBAYOESNSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001264586118 1322740072 /nfs/dbraw/zinc/74/00/72/1322740072.db2.gz LLGLLECBTQUGKY-KBAYOESNSA-N 2 1 333.520 2.203 10 30 EEEEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001264623972 1322752864 /nfs/dbraw/zinc/75/28/64/1322752864.db2.gz WEZQHRFVHBZLAA-XUVXKRRUSA-N 2 1 341.499 2.347 10 30 EEEEMP CC[C@@H](C(=O)NCCC[N@@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265143124 1322945257 /nfs/dbraw/zinc/94/52/57/1322945257.db2.gz XYVJZJYELBWDCA-IBGZPJMESA-N 2 1 347.478 2.346 10 30 EEEEMP C[N@@H+](CCCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1C#N ZINC001265978278 1323538494 /nfs/dbraw/zinc/53/84/94/1323538494.db2.gz HHTDLRWYAPLCMG-UHFFFAOYSA-N 2 1 342.487 2.372 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001281031344 1324729965 /nfs/dbraw/zinc/72/99/65/1324729965.db2.gz PDXJOEBGYZRRFO-ZWKOTPCHSA-N 2 1 331.504 2.387 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682532 1330204478 /nfs/dbraw/zinc/20/44/78/1330204478.db2.gz MRVGVQSEFXEAQR-BBRMVZONSA-N 2 1 334.489 2.088 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001492178950 1331057781 /nfs/dbraw/zinc/05/77/81/1331057781.db2.gz SQIYORTVCZDLDZ-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC/C=C\CC)CC[C@@H]2C1 ZINC001316754316 1331874214 /nfs/dbraw/zinc/87/42/14/1331874214.db2.gz MCXISNANKDEZLK-ZOYAEOFMSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC/C=C\CC)CC[C@@H]2C1 ZINC001316754316 1331874216 /nfs/dbraw/zinc/87/42/16/1331874216.db2.gz MCXISNANKDEZLK-ZOYAEOFMSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C\CC)CC[C@@H]2C1 ZINC001316754316 1331874219 /nfs/dbraw/zinc/87/42/19/1331874219.db2.gz MCXISNANKDEZLK-ZOYAEOFMSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C\CC)CC[C@@H]2C1 ZINC001316754316 1331874222 /nfs/dbraw/zinc/87/42/22/1331874222.db2.gz MCXISNANKDEZLK-ZOYAEOFMSA-N 2 1 343.515 2.221 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316921339 1331987712 /nfs/dbraw/zinc/98/77/12/1331987712.db2.gz YIZIIGAITKCCRC-LJQANCHMSA-N 2 1 331.504 2.387 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001316921339 1331987716 /nfs/dbraw/zinc/98/77/16/1331987716.db2.gz YIZIIGAITKCCRC-LJQANCHMSA-N 2 1 331.504 2.387 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603237 1332566337 /nfs/dbraw/zinc/56/63/37/1332566337.db2.gz OGUVTBZURNEXEU-SJLPKXTDSA-N 2 1 347.890 2.128 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001321066895 1333010593 /nfs/dbraw/zinc/01/05/93/1333010593.db2.gz PYKDNIWQLGVRAH-OXUXSNCKSA-N 2 1 340.471 2.051 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001321066895 1333010597 /nfs/dbraw/zinc/01/05/97/1333010597.db2.gz PYKDNIWQLGVRAH-OXUXSNCKSA-N 2 1 340.471 2.051 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001323468317 1333469598 /nfs/dbraw/zinc/46/95/98/1333469598.db2.gz LIHNSZSVSJNLHQ-OALUTQOASA-N 2 1 339.483 2.474 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001323468317 1333469600 /nfs/dbraw/zinc/46/96/00/1333469600.db2.gz LIHNSZSVSJNLHQ-OALUTQOASA-N 2 1 339.483 2.474 10 30 EEEEMP C#CCC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323722197 1333525021 /nfs/dbraw/zinc/52/50/21/1333525021.db2.gz MUAUJHGBBHJDSN-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722197 1333525023 /nfs/dbraw/zinc/52/50/23/1333525023.db2.gz MUAUJHGBBHJDSN-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722197 1333525028 /nfs/dbraw/zinc/52/50/28/1333525028.db2.gz MUAUJHGBBHJDSN-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001328687059 1334499478 /nfs/dbraw/zinc/49/94/78/1334499478.db2.gz XHTXZJZRVHCZQS-RTBURBONSA-N 2 1 337.467 2.010 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001328795795 1334522771 /nfs/dbraw/zinc/52/27/71/1334522771.db2.gz FCWMQWJXGBFDSL-FQEVSTJZSA-N 2 1 341.499 2.301 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378822 1335813243 /nfs/dbraw/zinc/81/32/43/1335813243.db2.gz DPRQFBHMSIBCII-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566879545 1342646922 /nfs/dbraw/zinc/64/69/22/1342646922.db2.gz OPZQFFILMOUZAE-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879545 1342646924 /nfs/dbraw/zinc/64/69/24/1342646924.db2.gz OPZQFFILMOUZAE-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879545 1342646925 /nfs/dbraw/zinc/64/69/25/1342646925.db2.gz OPZQFFILMOUZAE-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001567202565 1342711622 /nfs/dbraw/zinc/71/16/22/1342711622.db2.gz IFYQIMYGRSPZBM-MSOLQXFVSA-N 2 1 337.483 2.003 10 30 EEEEMP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640343 1342914336 /nfs/dbraw/zinc/91/43/36/1342914336.db2.gz CJZBBEGJTIJDBR-OAQYLSRUSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640343 1342914338 /nfs/dbraw/zinc/91/43/38/1342914338.db2.gz CJZBBEGJTIJDBR-OAQYLSRUSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640343 1342914339 /nfs/dbraw/zinc/91/43/39/1342914339.db2.gz CJZBBEGJTIJDBR-OAQYLSRUSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640343 1342914341 /nfs/dbraw/zinc/91/43/41/1342914341.db2.gz CJZBBEGJTIJDBR-OAQYLSRUSA-N 2 1 339.483 2.103 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001569841019 1342956106 /nfs/dbraw/zinc/95/61/06/1342956106.db2.gz LBFAIORKDOLWCY-CABCVRRESA-N 2 1 334.464 2.000 10 30 EEEEMP CC#CC[N@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001570079071 1343010241 /nfs/dbraw/zinc/01/02/41/1343010241.db2.gz KDTPOMMIESQDGP-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220926 1343035721 /nfs/dbraw/zinc/03/57/21/1343035721.db2.gz YGUSOVXVMRKPTE-RTBURBONSA-N 2 1 345.531 2.302 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001570387921 1343063256 /nfs/dbraw/zinc/06/32/56/1343063256.db2.gz UQWWPQNVJDXWTH-CALCHBBNSA-N 2 1 337.508 2.033 10 30 EEEEMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571064284 1343159312 /nfs/dbraw/zinc/15/93/12/1343159312.db2.gz OFEWRDXESCRSBZ-YSIASYRMSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662675434 1354824056 /nfs/dbraw/zinc/82/40/56/1354824056.db2.gz LXDFMISBOMTBOZ-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001663103645 1354914867 /nfs/dbraw/zinc/91/48/67/1354914867.db2.gz CZECTYQIWXJPDS-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001663201465 1354934917 /nfs/dbraw/zinc/93/49/17/1354934917.db2.gz UXTFTQINNIATGH-MJGOQNOKSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001663201465 1354934919 /nfs/dbraw/zinc/93/49/19/1354934919.db2.gz UXTFTQINNIATGH-MJGOQNOKSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001663201465 1354934922 /nfs/dbraw/zinc/93/49/22/1354934922.db2.gz UXTFTQINNIATGH-MJGOQNOKSA-N 2 1 327.472 2.202 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001663201465 1354934926 /nfs/dbraw/zinc/93/49/26/1354934926.db2.gz UXTFTQINNIATGH-MJGOQNOKSA-N 2 1 327.472 2.202 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001664241854 1355120308 /nfs/dbraw/zinc/12/03/08/1355120308.db2.gz XCDPWRDIGAXHBV-RHSMWYFYSA-N 2 1 346.500 2.185 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760358 1355227750 /nfs/dbraw/zinc/22/77/50/1355227750.db2.gz QOAQMWYDNLXDTL-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760358 1355227753 /nfs/dbraw/zinc/22/77/53/1355227753.db2.gz QOAQMWYDNLXDTL-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001666218881 1355486710 /nfs/dbraw/zinc/48/67/10/1355486710.db2.gz GFNHWQRQLIJGHF-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001667392698 1355729879 /nfs/dbraw/zinc/72/98/79/1355729879.db2.gz CNIOMVKKLMSGDR-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001667750558 1355805465 /nfs/dbraw/zinc/80/54/65/1355805465.db2.gz CWRBEELJLBWVGO-WOJBJXKFSA-N 2 1 341.499 2.059 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059191 1355858069 /nfs/dbraw/zinc/85/80/69/1355858069.db2.gz BSURSCDBZAHGLE-APWZRJJASA-N 2 1 342.487 2.415 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001668065416 1355860356 /nfs/dbraw/zinc/86/03/56/1355860356.db2.gz MKCXIHPLVJGOGZ-AYOQOUSVSA-N 2 1 342.487 2.273 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337285 1356329798 /nfs/dbraw/zinc/32/97/98/1356329798.db2.gz FLZFXSFEMAHSNN-RBUKOAKNSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001671748268 1356407078 /nfs/dbraw/zinc/40/70/78/1356407078.db2.gz RVYPZFWRWAXSNQ-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001671748268 1356407085 /nfs/dbraw/zinc/40/70/85/1356407085.db2.gz RVYPZFWRWAXSNQ-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001673013744 1356631850 /nfs/dbraw/zinc/63/18/50/1356631850.db2.gz XDLRVHBIIWNFQI-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001673175350 1356652096 /nfs/dbraw/zinc/65/20/96/1356652096.db2.gz HMWHAKJTWXZEFO-KRWDZBQOSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001673175350 1356652098 /nfs/dbraw/zinc/65/20/98/1356652098.db2.gz HMWHAKJTWXZEFO-KRWDZBQOSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001674001415 1356769336 /nfs/dbraw/zinc/76/93/36/1356769336.db2.gz BIVGPUXIFDBVBT-SFHVURJKSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691893430 1358586431 /nfs/dbraw/zinc/58/64/31/1358586431.db2.gz QDHXACUPSUSVQW-UXHICEINSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001691893430 1358586437 /nfs/dbraw/zinc/58/64/37/1358586437.db2.gz QDHXACUPSUSVQW-UXHICEINSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001691893430 1358586443 /nfs/dbraw/zinc/58/64/43/1358586443.db2.gz QDHXACUPSUSVQW-UXHICEINSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001691893430 1358586446 /nfs/dbraw/zinc/58/64/46/1358586446.db2.gz QDHXACUPSUSVQW-UXHICEINSA-N 2 1 343.515 2.413 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001699258783 1405299798 /nfs/dbraw/zinc/29/97/98/1405299798.db2.gz FJIJWHNMTAXETO-WFRZBGSESA-N 2 1 340.471 2.051 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852981 779436885 /nfs/dbraw/zinc/43/68/85/779436885.db2.gz ILDOHCJNIMLKGA-SFHVURJKSA-N 2 1 338.455 2.496 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093661 779857731 /nfs/dbraw/zinc/85/77/31/779857731.db2.gz SJNOTQRPOLLMRH-SFHVURJKSA-N 2 1 327.472 2.212 10 30 EEEEMP C[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001566482135 1125644229 /nfs/dbraw/zinc/64/42/29/1125644229.db2.gz CNAJIBCQDVCKAZ-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001566482135 1125644232 /nfs/dbraw/zinc/64/42/32/1125644232.db2.gz CNAJIBCQDVCKAZ-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001566482135 1125644234 /nfs/dbraw/zinc/64/42/34/1125644234.db2.gz CNAJIBCQDVCKAZ-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC001566575198 1125756283 /nfs/dbraw/zinc/75/62/83/1125756283.db2.gz YPUPYLAYPVMJAE-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001479639821 1098668367 /nfs/dbraw/zinc/66/83/67/1098668367.db2.gz ONZNLWDPUKSXFU-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001496359610 1100952675 /nfs/dbraw/zinc/95/26/75/1100952675.db2.gz RCUDRHQVPDXKKE-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001495389102 1101108434 /nfs/dbraw/zinc/10/84/34/1101108434.db2.gz BVBXYWDWJZNXLZ-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101464001 /nfs/dbraw/zinc/46/40/01/1101464001.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101464005 /nfs/dbraw/zinc/46/40/05/1101464005.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101464011 /nfs/dbraw/zinc/46/40/11/1101464011.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001496075998 1102017267 /nfs/dbraw/zinc/01/72/67/1102017267.db2.gz BODQVKAFDXANRB-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001496075998 1102017282 /nfs/dbraw/zinc/01/72/82/1102017282.db2.gz BODQVKAFDXANRB-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180164 1103656452 /nfs/dbraw/zinc/65/64/52/1103656452.db2.gz XXZGXTLJXYMLMT-PKOBYXMFSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180164 1103656457 /nfs/dbraw/zinc/65/64/57/1103656457.db2.gz XXZGXTLJXYMLMT-PKOBYXMFSA-N 2 1 327.472 2.093 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001498197696 1107064320 /nfs/dbraw/zinc/06/43/20/1107064320.db2.gz UUXQRUFOEWJFAD-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001500039765 1112588622 /nfs/dbraw/zinc/58/86/22/1112588622.db2.gz WSYKHIKKFCPXHW-SFHVURJKSA-N 2 1 331.504 2.197 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001500573557 1112950245 /nfs/dbraw/zinc/95/02/45/1112950245.db2.gz FIKZNQKBAKOMQJ-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC001501749573 1113462009 /nfs/dbraw/zinc/46/20/09/1113462009.db2.gz XVPPPHBCHLEYDG-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001501749573 1113462010 /nfs/dbraw/zinc/46/20/10/1113462010.db2.gz XVPPPHBCHLEYDG-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867144 /nfs/dbraw/zinc/86/71/44/1113867144.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867149 /nfs/dbraw/zinc/86/71/49/1113867149.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867164 /nfs/dbraw/zinc/86/71/64/1113867164.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568279100 1124401007 /nfs/dbraw/zinc/40/10/07/1124401007.db2.gz IWGIIWASYBKMDE-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568329413 1124422120 /nfs/dbraw/zinc/42/21/20/1124422120.db2.gz XPWGXDZDXBEPFE-QZTJIDSGSA-N 2 1 333.520 2.395 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539736 1124600874 /nfs/dbraw/zinc/60/08/74/1124600874.db2.gz FMRPRCKUAFOWDG-WOJBJXKFSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001569062297 1125073401 /nfs/dbraw/zinc/07/34/01/1125073401.db2.gz UZFRHQWMBWVRPT-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001569062297 1125073409 /nfs/dbraw/zinc/07/34/09/1125073409.db2.gz UZFRHQWMBWVRPT-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP N#CCCOCC[NH+]1CCCC2(CCC[N@@H+](CCOCCC#N)C2)C1 ZINC000339203674 465140472 /nfs/dbraw/zinc/14/04/72/465140472.db2.gz QPYFZLSERUYXPA-UHFFFAOYSA-N 2 1 348.491 2.025 10 30 EEEEMP N#CCCOCC[NH+]1CCCC2(CCC[N@H+](CCOCCC#N)C2)C1 ZINC000339203674 465140479 /nfs/dbraw/zinc/14/04/79/465140479.db2.gz QPYFZLSERUYXPA-UHFFFAOYSA-N 2 1 348.491 2.025 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000176154255 464708853 /nfs/dbraw/zinc/70/88/53/464708853.db2.gz ZLDLCJDLCAJKTI-GOSISDBHSA-N 2 1 345.491 2.406 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594439355 468587693 /nfs/dbraw/zinc/58/76/93/468587693.db2.gz UTWPKHBFSWEBPM-NVXWUHKLSA-N 2 1 348.516 2.488 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000594444336 468590690 /nfs/dbraw/zinc/59/06/90/468590690.db2.gz PFJAGYZCEXIEMS-CVEARBPZSA-N 2 1 334.851 2.224 10 30 EEEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721947 468635265 /nfs/dbraw/zinc/63/52/65/468635265.db2.gz OCFKAVIFAYIATB-MOPGFXCFSA-N 2 1 327.472 2.195 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574569 469367404 /nfs/dbraw/zinc/36/74/04/469367404.db2.gz BNTQLUAGQDRSEG-MSOLQXFVSA-N 2 1 328.460 2.036 10 30 EEEEMP C=CC[C@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819808 472265886 /nfs/dbraw/zinc/26/58/86/472265886.db2.gz OWTPDRQYEDCDGI-QKNQBKEWSA-N 2 1 339.483 2.418 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570984 1191840115 /nfs/dbraw/zinc/84/01/15/1191840115.db2.gz XSWFRKMOIUGVGY-JKSUJKDBSA-N 2 1 330.476 2.238 10 30 EEEEMP C=C(Br)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485579555 1191847038 /nfs/dbraw/zinc/84/70/38/1191847038.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 1 346.313 2.063 10 30 EEEEMP CC#CCN1CCC(N(CCC)C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001266388876 1176462327 /nfs/dbraw/zinc/46/23/27/1176462327.db2.gz UXFSLEXVPLSRIT-QGZVFWFLSA-N 2 1 342.487 2.172 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001671503898 1176859835 /nfs/dbraw/zinc/85/98/35/1176859835.db2.gz GTEHTMWMCDDAOU-DKFQHHCZSA-N 2 1 331.504 2.221 10 30 EEEEMP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CC#Cc2ccccc2)cc1 ZINC001267221494 1178529623 /nfs/dbraw/zinc/52/96/23/1178529623.db2.gz KXXCYUVAYKPZJP-UHFFFAOYSA-N 2 1 349.478 2.462 10 30 EEEEMP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC001267221494 1178529630 /nfs/dbraw/zinc/52/96/30/1178529630.db2.gz KXXCYUVAYKPZJP-UHFFFAOYSA-N 2 1 349.478 2.462 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481121114 1179806973 /nfs/dbraw/zinc/80/69/73/1179806973.db2.gz TXJOVCACQFTNDR-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481121114 1179806982 /nfs/dbraw/zinc/80/69/82/1179806982.db2.gz TXJOVCACQFTNDR-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481121114 1179806991 /nfs/dbraw/zinc/80/69/91/1179806991.db2.gz TXJOVCACQFTNDR-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@H]1CCC[N@H+]1C ZINC001268439741 1182614924 /nfs/dbraw/zinc/61/49/24/1182614924.db2.gz UHCLPHZHQPDARD-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268542094 1183213262 /nfs/dbraw/zinc/21/32/62/1183213262.db2.gz OSWJHPCHILGYID-REMYHPOOSA-N 2 1 346.500 2.255 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001482222059 1184295222 /nfs/dbraw/zinc/29/52/22/1184295222.db2.gz VILZKKDVCKAFSB-AWEZNQCLSA-N 2 1 345.409 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001482222059 1184295229 /nfs/dbraw/zinc/29/52/29/1184295229.db2.gz VILZKKDVCKAFSB-AWEZNQCLSA-N 2 1 345.409 2.055 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001270292964 1184992738 /nfs/dbraw/zinc/99/27/38/1184992738.db2.gz DHHRRYRBODXKBM-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270331641 1185024374 /nfs/dbraw/zinc/02/43/74/1185024374.db2.gz KMKUMZZKJCFXMY-MJGOQNOKSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270780846 1185385380 /nfs/dbraw/zinc/38/53/80/1185385380.db2.gz XDUXDZGWKDJNRR-VQIMIIECSA-N 2 1 330.476 2.158 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001270812017 1185412165 /nfs/dbraw/zinc/41/21/65/1185412165.db2.gz JCOXQWMWISTVJC-UHFFFAOYSA-N 2 1 341.499 2.399 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001482430912 1185694293 /nfs/dbraw/zinc/69/42/93/1185694293.db2.gz AALXMJQPNABTNA-WBVHZDCISA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001271424348 1186209572 /nfs/dbraw/zinc/20/95/72/1186209572.db2.gz CZLXSAXCBVOMDG-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001482507960 1186423978 /nfs/dbraw/zinc/42/39/78/1186423978.db2.gz UPDWEVHEJWAXMK-UHFFFAOYSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001482507960 1186423982 /nfs/dbraw/zinc/42/39/82/1186423982.db2.gz UPDWEVHEJWAXMK-UHFFFAOYSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC=C)C2)CC1 ZINC001482665018 1187538412 /nfs/dbraw/zinc/53/84/12/1187538412.db2.gz INNCTDGZDJEDEN-PMACEKPBSA-N 2 1 343.515 2.221 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001272465861 1190836713 /nfs/dbraw/zinc/83/67/13/1190836713.db2.gz MBHXOVRIDQYFJQ-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)C)C1 ZINC001484098700 1191210163 /nfs/dbraw/zinc/21/01/63/1191210163.db2.gz YJEYWNXYBUCQJR-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)C)C1 ZINC001484098700 1191210164 /nfs/dbraw/zinc/21/01/64/1191210164.db2.gz YJEYWNXYBUCQJR-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462092 1191366363 /nfs/dbraw/zinc/36/63/63/1191366363.db2.gz BELGZZIQBAUBSP-OALUTQOASA-N 2 1 331.504 2.341 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485079364 1191641425 /nfs/dbraw/zinc/64/14/25/1191641425.db2.gz XEVHZZIQPHPNJN-LJQANCHMSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C/CCC)C1 ZINC001486467222 1193981858 /nfs/dbraw/zinc/98/18/58/1193981858.db2.gz QISGEPJHVGJTHO-PRUDCKRUSA-N 2 1 331.504 2.409 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C/CCC)C1 ZINC001486467222 1193981860 /nfs/dbraw/zinc/98/18/60/1193981860.db2.gz QISGEPJHVGJTHO-PRUDCKRUSA-N 2 1 331.504 2.409 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001273153896 1197099144 /nfs/dbraw/zinc/09/91/44/1197099144.db2.gz GKMWUHSOZOMAAZ-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108631 1198800065 /nfs/dbraw/zinc/80/00/65/1198800065.db2.gz UOZQNILZJQKXTM-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108631 1198800070 /nfs/dbraw/zinc/80/00/70/1198800070.db2.gz UOZQNILZJQKXTM-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001411251132 1198974581 /nfs/dbraw/zinc/97/45/81/1198974581.db2.gz BIXOMVILFLNAOK-CQSZACIVSA-N 2 1 339.911 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001411251132 1198974586 /nfs/dbraw/zinc/97/45/86/1198974586.db2.gz BIXOMVILFLNAOK-CQSZACIVSA-N 2 1 339.911 2.442 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782944 1199771693 /nfs/dbraw/zinc/77/16/93/1199771693.db2.gz XAOQXPICEZTGBN-INIZCTEOSA-N 2 1 336.867 2.237 10 30 EEEEMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000867966986 1201716758 /nfs/dbraw/zinc/71/67/58/1201716758.db2.gz WUKZAKNPIWMPNJ-LJQANCHMSA-N 2 1 332.407 2.029 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001274856456 1205189190 /nfs/dbraw/zinc/18/91/90/1205189190.db2.gz KYARSFLWHJSHOW-RBUKOAKNSA-N 2 1 327.472 2.066 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001274856456 1205189192 /nfs/dbraw/zinc/18/91/92/1205189192.db2.gz KYARSFLWHJSHOW-RBUKOAKNSA-N 2 1 327.472 2.066 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275135090 1205265075 /nfs/dbraw/zinc/26/50/75/1205265075.db2.gz FYSGYPOUHFNEIE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275135090 1205265077 /nfs/dbraw/zinc/26/50/77/1205265077.db2.gz FYSGYPOUHFNEIE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001275135090 1205265079 /nfs/dbraw/zinc/26/50/79/1205265079.db2.gz FYSGYPOUHFNEIE-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001275676174 1205478757 /nfs/dbraw/zinc/47/87/57/1205478757.db2.gz AFIIQWBUMJLRDI-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001276318418 1215696224 /nfs/dbraw/zinc/69/62/24/1215696224.db2.gz BQPCSLTYWXMUQM-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318418 1215696226 /nfs/dbraw/zinc/69/62/26/1215696226.db2.gz BQPCSLTYWXMUQM-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318418 1215696228 /nfs/dbraw/zinc/69/62/28/1215696228.db2.gz BQPCSLTYWXMUQM-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C=C(Br)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772310 1291713756 /nfs/dbraw/zinc/71/37/56/1291713756.db2.gz MGPGBSFKYAYLGW-AWEZNQCLSA-N 2 1 346.313 2.017 10 30 EEEEMP C=C(Br)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772310 1291713762 /nfs/dbraw/zinc/71/37/62/1291713762.db2.gz MGPGBSFKYAYLGW-AWEZNQCLSA-N 2 1 346.313 2.017 10 30 EEEEMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001276869404 1299997546 /nfs/dbraw/zinc/99/75/46/1299997546.db2.gz JVDNFUYFHFCPMA-UHFFFAOYSA-N 2 1 345.531 2.446 10 30 EEEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001277411980 1302920458 /nfs/dbraw/zinc/92/04/58/1302920458.db2.gz QJBDXLGQSJAESD-UHFFFAOYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CCCC[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001277411980 1302920459 /nfs/dbraw/zinc/92/04/59/1302920459.db2.gz QJBDXLGQSJAESD-UHFFFAOYSA-N 2 1 334.464 2.239 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001277541644 1303861694 /nfs/dbraw/zinc/86/16/94/1303861694.db2.gz ITEXVQVZMDLIDX-RTBURBONSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001263848327 1322536399 /nfs/dbraw/zinc/53/63/99/1322536399.db2.gz PGUKWVCVSWCADU-NZSAHSFTSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001264586644 1322740924 /nfs/dbraw/zinc/74/09/24/1322740924.db2.gz SDKPWGLVTWZGJH-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001264586644 1322740929 /nfs/dbraw/zinc/74/09/29/1322740929.db2.gz SDKPWGLVTWZGJH-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001264586644 1322740934 /nfs/dbraw/zinc/74/09/34/1322740934.db2.gz SDKPWGLVTWZGJH-QRQLOZEOSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283529 1323034888 /nfs/dbraw/zinc/03/48/88/1323034888.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283529 1323034896 /nfs/dbraw/zinc/03/48/96/1323034896.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283529 1323034903 /nfs/dbraw/zinc/03/49/03/1323034903.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265509227 1323189525 /nfs/dbraw/zinc/18/95/25/1323189525.db2.gz WPXXEULVRMSZNN-IYARVYRRSA-N 2 1 347.890 2.269 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596573 1323252952 /nfs/dbraw/zinc/25/29/52/1323252952.db2.gz GDOLEQLEWAXXNO-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001265648799 1323295269 /nfs/dbraw/zinc/29/52/69/1323295269.db2.gz GXDFJBGDPRMCFS-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790675 1323382381 /nfs/dbraw/zinc/38/23/81/1323382381.db2.gz QHXYYRJXBLUGTK-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC001266108715 1323674782 /nfs/dbraw/zinc/67/47/82/1323674782.db2.gz DAFFCKIUTHZCAA-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC001266108715 1323674786 /nfs/dbraw/zinc/67/47/86/1323674786.db2.gz DAFFCKIUTHZCAA-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155749 1323725042 /nfs/dbraw/zinc/72/50/42/1323725042.db2.gz QHWUZWPMAUOKSQ-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C)c(F)c1 ZINC001279722934 1323986357 /nfs/dbraw/zinc/98/63/57/1323986357.db2.gz PRONVYIIARWUFR-UHFFFAOYSA-N 2 1 330.407 2.313 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC(=C)C)CC1 ZINC001281966641 1325540962 /nfs/dbraw/zinc/54/09/62/1325540962.db2.gz AOZNVYBOHAZSKI-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001284149841 1326435879 /nfs/dbraw/zinc/43/58/79/1326435879.db2.gz ZEDYLZVVEQVTEA-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001284149841 1326435880 /nfs/dbraw/zinc/43/58/80/1326435880.db2.gz ZEDYLZVVEQVTEA-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001284149841 1326435881 /nfs/dbraw/zinc/43/58/81/1326435881.db2.gz ZEDYLZVVEQVTEA-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001284149841 1326435882 /nfs/dbraw/zinc/43/58/82/1326435882.db2.gz ZEDYLZVVEQVTEA-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001491585400 1330173971 /nfs/dbraw/zinc/17/39/71/1330173971.db2.gz NXKCOGZAXGGCSY-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001492043947 1330417159 /nfs/dbraw/zinc/41/71/59/1330417159.db2.gz RHAHVEYGZZNFQP-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031325 1330455985 /nfs/dbraw/zinc/45/59/85/1330455985.db2.gz KHUKGBWSEIYQAH-ICSRJNTNSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C\CC)CC1 ZINC001317514110 1332276437 /nfs/dbraw/zinc/27/64/37/1332276437.db2.gz UCMSHMFOBPZYBU-VOFKWLDRSA-N 2 1 331.504 2.269 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318428609 1332532535 /nfs/dbraw/zinc/53/25/35/1332532535.db2.gz KWGIEFUSDZZGAD-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318428609 1332532539 /nfs/dbraw/zinc/53/25/39/1332532539.db2.gz KWGIEFUSDZZGAD-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318428609 1332532542 /nfs/dbraw/zinc/53/25/42/1332532542.db2.gz KWGIEFUSDZZGAD-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318428609 1332532543 /nfs/dbraw/zinc/53/25/43/1332532543.db2.gz KWGIEFUSDZZGAD-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001319888931 1332793064 /nfs/dbraw/zinc/79/30/64/1332793064.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001319888931 1332793065 /nfs/dbraw/zinc/79/30/65/1332793065.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001319888931 1332793067 /nfs/dbraw/zinc/79/30/67/1332793067.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321720128 1333148205 /nfs/dbraw/zinc/14/82/05/1333148205.db2.gz KFRSQQUFFJHRLG-OAHLLOKOSA-N 2 1 335.879 2.128 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325054769 1333819947 /nfs/dbraw/zinc/81/99/47/1333819947.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325054769 1333819948 /nfs/dbraw/zinc/81/99/48/1333819948.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325054769 1333819949 /nfs/dbraw/zinc/81/99/49/1333819949.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CCO2 ZINC001327330638 1334268775 /nfs/dbraw/zinc/26/87/75/1334268775.db2.gz FFHUCBGPPHTCAO-GOSISDBHSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001328749403 1334513830 /nfs/dbraw/zinc/51/38/30/1334513830.db2.gz LYWFHJRFFNVBEG-QGZVFWFLSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566724336 1342614562 /nfs/dbraw/zinc/61/45/62/1342614562.db2.gz HBQNGIXQRMGDCT-YJBOKZPZSA-N 2 1 325.472 2.259 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001660371727 1354451170 /nfs/dbraw/zinc/45/11/70/1354451170.db2.gz FDFZIDVDMJLADI-GOSISDBHSA-N 2 1 330.476 2.083 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661213141 1354608035 /nfs/dbraw/zinc/60/80/35/1354608035.db2.gz LQVRQPIGBWWQBR-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001661220947 1354610784 /nfs/dbraw/zinc/61/07/84/1354610784.db2.gz LSALYLOOAQLHGO-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001661220947 1354610789 /nfs/dbraw/zinc/61/07/89/1354610789.db2.gz LSALYLOOAQLHGO-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001661220947 1354610792 /nfs/dbraw/zinc/61/07/92/1354610792.db2.gz LSALYLOOAQLHGO-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835765 1355239847 /nfs/dbraw/zinc/23/98/47/1355239847.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001664835765 1355239851 /nfs/dbraw/zinc/23/98/51/1355239851.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001664835765 1355239856 /nfs/dbraw/zinc/23/98/56/1355239856.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001666120366 1355458105 /nfs/dbraw/zinc/45/81/05/1355458105.db2.gz SMZGLEYNRDWAJM-YWJKWWDISA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001666120366 1355458106 /nfs/dbraw/zinc/45/81/06/1355458106.db2.gz SMZGLEYNRDWAJM-YWJKWWDISA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001668092353 1355868566 /nfs/dbraw/zinc/86/85/66/1355868566.db2.gz PERZHVZMJOPLLV-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001668092353 1355868569 /nfs/dbraw/zinc/86/85/69/1355868569.db2.gz PERZHVZMJOPLLV-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC=C)CC1 ZINC001672543374 1356551646 /nfs/dbraw/zinc/55/16/46/1356551646.db2.gz IIPQVRAQXRSSFN-WOJBJXKFSA-N 2 1 343.515 2.363 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001674458798 1356838315 /nfs/dbraw/zinc/83/83/15/1356838315.db2.gz YBESXPIEPYHXRV-MRXNPFEDSA-N 2 1 333.501 2.369 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674749412 1356889184 /nfs/dbraw/zinc/88/91/84/1356889184.db2.gz ZAOZJCPNJVFJHM-LSDHHAIUSA-N 2 1 327.432 2.330 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001675642196 1357025533 /nfs/dbraw/zinc/02/55/33/1357025533.db2.gz GFKHXRXPPMZGLP-KSZLIROESA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001675642196 1357025535 /nfs/dbraw/zinc/02/55/35/1357025535.db2.gz GFKHXRXPPMZGLP-KSZLIROESA-N 2 1 330.476 2.374 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001675792771 1357049733 /nfs/dbraw/zinc/04/97/33/1357049733.db2.gz RHBDZHJDOCAXEM-WKILWMFISA-N 2 1 346.475 2.335 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001681598367 1358038558 /nfs/dbraw/zinc/03/85/58/1358038558.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 2 1 348.535 2.285 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001681598367 1358038561 /nfs/dbraw/zinc/03/85/61/1358038561.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 2 1 348.535 2.285 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001681598367 1358038564 /nfs/dbraw/zinc/03/85/64/1358038564.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 2 1 348.535 2.285 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)O2 ZINC001687937696 1358684712 /nfs/dbraw/zinc/68/47/12/1358684712.db2.gz GBVSYRLSGAARAA-QZTJIDSGSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236856 780223215 /nfs/dbraw/zinc/22/32/15/780223215.db2.gz BTHQSFNAPUZJRV-SFHVURJKSA-N 2 1 333.520 2.204 10 30 EEEEMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385758 789481429 /nfs/dbraw/zinc/48/14/29/789481429.db2.gz HPHXWLBTAJIDMQ-OALUTQOASA-N 2 1 343.471 2.010 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000917577974 798285795 /nfs/dbraw/zinc/28/57/95/798285795.db2.gz RJRHCRJLCBZWQG-GOSISDBHSA-N 2 1 334.508 2.038 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001445609214 1091403068 /nfs/dbraw/zinc/40/30/68/1091403068.db2.gz IAEHLNZDIHHZGV-UONOGXRCSA-N 2 1 346.313 2.252 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001439895352 1092955599 /nfs/dbraw/zinc/95/55/99/1092955599.db2.gz XFUCGQYEUYVUIL-RDJZCZTQSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001449072176 1094086832 /nfs/dbraw/zinc/08/68/32/1094086832.db2.gz BGCWNJJWOCNWHF-CYBMUJFWSA-N 2 1 346.313 2.062 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479691903 1098755918 /nfs/dbraw/zinc/75/59/18/1098755918.db2.gz GATMELUOAUNMHD-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479835165 1099118628 /nfs/dbraw/zinc/11/86/28/1099118628.db2.gz UTLDDNJQRFZFOK-SJLPKXTDSA-N 2 1 330.476 2.354 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480077836 1099621803 /nfs/dbraw/zinc/62/18/03/1099621803.db2.gz BCINNKMXYAYYPO-KRWDZBQOSA-N 2 1 338.455 2.450 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472060 1100278621 /nfs/dbraw/zinc/27/86/21/1100278621.db2.gz MRKQNJQTIJIIML-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196578 1102108812 /nfs/dbraw/zinc/10/88/12/1102108812.db2.gz AMFHSNCUXQTDPX-WMLDXEAASA-N 2 1 348.516 2.479 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018126 1103354083 /nfs/dbraw/zinc/35/40/83/1103354083.db2.gz DZDKSFVSEDUVHW-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001494018126 1103354093 /nfs/dbraw/zinc/35/40/93/1103354093.db2.gz DZDKSFVSEDUVHW-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001494018126 1103354102 /nfs/dbraw/zinc/35/41/02/1103354102.db2.gz DZDKSFVSEDUVHW-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001494830981 1104426902 /nfs/dbraw/zinc/42/69/02/1104426902.db2.gz TUQPKLVQTFINOW-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001494830981 1104426903 /nfs/dbraw/zinc/42/69/03/1104426903.db2.gz TUQPKLVQTFINOW-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001494830981 1104426906 /nfs/dbraw/zinc/42/69/06/1104426906.db2.gz TUQPKLVQTFINOW-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001494830981 1104426908 /nfs/dbraw/zinc/42/69/08/1104426908.db2.gz TUQPKLVQTFINOW-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480666503 1106847935 /nfs/dbraw/zinc/84/79/35/1106847935.db2.gz VZFVZDYPLSOVPU-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC001467750364 1110462740 /nfs/dbraw/zinc/46/27/40/1110462740.db2.gz SYZZUSJFKPRVII-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC001467750364 1110462741 /nfs/dbraw/zinc/46/27/41/1110462741.db2.gz SYZZUSJFKPRVII-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001499480257 1112311767 /nfs/dbraw/zinc/31/17/67/1112311767.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480257 1112311773 /nfs/dbraw/zinc/31/17/73/1112311773.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480257 1112311776 /nfs/dbraw/zinc/31/17/76/1112311776.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001499526881 1112342287 /nfs/dbraw/zinc/34/22/87/1112342287.db2.gz AXWFGUUDZJFEHZ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001499526881 1112342290 /nfs/dbraw/zinc/34/22/90/1112342290.db2.gz AXWFGUUDZJFEHZ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001499526881 1112342298 /nfs/dbraw/zinc/34/22/98/1112342298.db2.gz AXWFGUUDZJFEHZ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500057512 1112596183 /nfs/dbraw/zinc/59/61/83/1112596183.db2.gz IMWPMIATUJJHEP-INIZCTEOSA-N 2 1 330.476 2.164 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001500131891 1112631832 /nfs/dbraw/zinc/63/18/32/1112631832.db2.gz UWRUCMUIWYQOFE-RTBURBONSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001502404746 1113669112 /nfs/dbraw/zinc/66/91/12/1113669112.db2.gz MQXNILBZZQCRQN-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404746 1113669114 /nfs/dbraw/zinc/66/91/14/1113669114.db2.gz MQXNILBZZQCRQN-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404746 1113669116 /nfs/dbraw/zinc/66/91/16/1113669116.db2.gz MQXNILBZZQCRQN-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001505397008 1113934854 /nfs/dbraw/zinc/93/48/54/1113934854.db2.gz ZMQYMTAJIZODBQ-LJQANCHMSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC/C=C/CC)CC1 ZINC001506962915 1115011170 /nfs/dbraw/zinc/01/11/70/1115011170.db2.gz VXNGSYULSMUNHL-GHOSXJJBSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC/C=C/CC)CC1 ZINC001506962915 1115011171 /nfs/dbraw/zinc/01/11/71/1115011171.db2.gz VXNGSYULSMUNHL-GHOSXJJBSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C/CC)CC1 ZINC001506962915 1115011173 /nfs/dbraw/zinc/01/11/73/1115011173.db2.gz VXNGSYULSMUNHL-GHOSXJJBSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C/CC)CC1 ZINC001506962915 1115011174 /nfs/dbraw/zinc/01/11/74/1115011174.db2.gz VXNGSYULSMUNHL-GHOSXJJBSA-N 2 1 331.504 2.363 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567941113 1124196391 /nfs/dbraw/zinc/19/63/91/1124196391.db2.gz SQXLKEKVYWVUHU-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](C)[C@@H]1CCCO1 ZINC000241287440 258000990 /nfs/dbraw/zinc/00/09/90/258000990.db2.gz LLFGCWIAQKMOAO-OAGGEKHMSA-N 2 1 334.464 2.149 10 30 EEEEMP C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000062364193 462615292 /nfs/dbraw/zinc/61/52/92/462615292.db2.gz QWHLESVSXIYRHL-UHFFFAOYSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000062364193 462615298 /nfs/dbraw/zinc/61/52/98/462615298.db2.gz QWHLESVSXIYRHL-UHFFFAOYSA-N 2 1 341.499 2.460 10 30 EEEEMP C[N@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000109750917 463648374 /nfs/dbraw/zinc/64/83/74/463648374.db2.gz YSDLZDKHEGJGGX-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000109750917 463648377 /nfs/dbraw/zinc/64/83/77/463648377.db2.gz YSDLZDKHEGJGGX-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000109750917 463648381 /nfs/dbraw/zinc/64/83/81/463648381.db2.gz YSDLZDKHEGJGGX-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[C@H](CC#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000597358756 468530940 /nfs/dbraw/zinc/53/09/40/468530940.db2.gz TZSANNXZFWCYON-MRXNPFEDSA-N 2 1 334.508 2.191 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594440266 468589590 /nfs/dbraw/zinc/58/95/90/468589590.db2.gz BFTHMMOPJGLPLX-OALUTQOASA-N 2 1 342.487 2.351 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H]2CCC[C@@H]21 ZINC000586789967 469067530 /nfs/dbraw/zinc/06/75/30/469067530.db2.gz VBUVVALOJFZADZ-QYZOEREBSA-N 2 1 339.487 2.384 10 30 EEEEMP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662758344 472237874 /nfs/dbraw/zinc/23/78/74/472237874.db2.gz QSSZIMBKZCJKTL-HXUWFJFHSA-N 2 1 342.487 2.071 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054566 577675058 /nfs/dbraw/zinc/67/50/58/577675058.db2.gz HFWUWLCXUYGXJV-FGTMMUONSA-N 2 1 345.874 2.299 10 30 EEEEMP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000933302227 676581424 /nfs/dbraw/zinc/58/14/24/676581424.db2.gz UHNPIQLBPCHJQZ-UHFFFAOYSA-N 2 1 339.483 2.175 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261723064 681641384 /nfs/dbraw/zinc/64/13/84/681641384.db2.gz XASGPGLAWCRJEB-MIEORUQNSA-N 2 1 346.519 2.124 10 30 EEEEMP CC[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261935909 682427245 /nfs/dbraw/zinc/42/72/45/682427245.db2.gz CKQTUUSIGCKJPP-LJQANCHMSA-N 2 1 336.524 2.329 10 30 EEEEMP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262008495 682809401 /nfs/dbraw/zinc/80/94/01/682809401.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 2 1 342.491 2.265 10 30 EEEEMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262008495 682809404 /nfs/dbraw/zinc/80/94/04/682809404.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 2 1 342.491 2.265 10 30 EEEEMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262008495 682809409 /nfs/dbraw/zinc/80/94/09/682809409.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 2 1 342.491 2.265 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691146171 1177636069 /nfs/dbraw/zinc/63/60/69/1177636069.db2.gz OUXYHWHLGBXYGL-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691146171 1177636074 /nfs/dbraw/zinc/63/60/74/1177636074.db2.gz OUXYHWHLGBXYGL-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691146171 1177636079 /nfs/dbraw/zinc/63/60/79/1177636079.db2.gz OUXYHWHLGBXYGL-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691146171 1177636083 /nfs/dbraw/zinc/63/60/83/1177636083.db2.gz OUXYHWHLGBXYGL-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267226281 1178544077 /nfs/dbraw/zinc/54/40/77/1178544077.db2.gz QKGURENETGMZHE-KRWDZBQOSA-N 2 1 335.879 2.080 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(CC)cc1 ZINC001480981047 1179417766 /nfs/dbraw/zinc/41/77/66/1179417766.db2.gz UXLHXQGZNWHWSV-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(CC)cc1 ZINC001480981047 1179417771 /nfs/dbraw/zinc/41/77/71/1179417771.db2.gz UXLHXQGZNWHWSV-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(CC)cc1 ZINC001480981047 1179417778 /nfs/dbraw/zinc/41/77/78/1179417778.db2.gz UXLHXQGZNWHWSV-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(CC)cc1 ZINC001480981047 1179417783 /nfs/dbraw/zinc/41/77/83/1179417783.db2.gz UXLHXQGZNWHWSV-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001481252491 1180476843 /nfs/dbraw/zinc/47/68/43/1180476843.db2.gz WYUIDQMOMQWZAI-QGZVFWFLSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC=C)cc1 ZINC001267938129 1180791799 /nfs/dbraw/zinc/79/17/99/1180791799.db2.gz LVIOZUVXVHBRRH-IBGZPJMESA-N 2 1 325.456 2.066 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC=C)cc1 ZINC001267938129 1180791806 /nfs/dbraw/zinc/79/18/06/1180791806.db2.gz LVIOZUVXVHBRRH-IBGZPJMESA-N 2 1 325.456 2.066 10 30 EEEEMP C=CCC[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001268023573 1181026217 /nfs/dbraw/zinc/02/62/17/1181026217.db2.gz MPNBEYFAVULGMA-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+]1CCO[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001268023573 1181026223 /nfs/dbraw/zinc/02/62/23/1181026223.db2.gz MPNBEYFAVULGMA-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001268023573 1181026229 /nfs/dbraw/zinc/02/62/29/1181026229.db2.gz MPNBEYFAVULGMA-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001268023573 1181026233 /nfs/dbraw/zinc/02/62/33/1181026233.db2.gz MPNBEYFAVULGMA-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001481342055 1181072852 /nfs/dbraw/zinc/07/28/52/1181072852.db2.gz CKEAQLDYECCSSH-LPHOPBHVSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001268066455 1181659975 /nfs/dbraw/zinc/65/99/75/1181659975.db2.gz AAMHZOLQUTVFPF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001268066455 1181659978 /nfs/dbraw/zinc/65/99/78/1181659978.db2.gz AAMHZOLQUTVFPF-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(Cl)c1 ZINC001268459222 1182729917 /nfs/dbraw/zinc/72/99/17/1182729917.db2.gz QDKCVGBUDZQRBR-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(Cl)c1 ZINC001268459222 1182729925 /nfs/dbraw/zinc/72/99/25/1182729925.db2.gz QDKCVGBUDZQRBR-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811506 1182738991 /nfs/dbraw/zinc/73/89/91/1182738991.db2.gz TUMNFFURNIRUBI-WOJBJXKFSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001268648714 1183576806 /nfs/dbraw/zinc/57/68/06/1183576806.db2.gz SXXXFWJWYIHAFI-LBTNJELSSA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001268648714 1183576809 /nfs/dbraw/zinc/57/68/09/1183576809.db2.gz SXXXFWJWYIHAFI-LBTNJELSSA-N 2 1 349.425 2.218 10 30 EEEEMP CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)C[N@@H+](C)C1CCC1 ZINC001268797749 1183713200 /nfs/dbraw/zinc/71/32/00/1183713200.db2.gz XVBYCLCXRGESKK-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001269427880 1184259545 /nfs/dbraw/zinc/25/95/45/1184259545.db2.gz CJNBFDFFUMCYOM-YJBOKZPZSA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001269427880 1184259551 /nfs/dbraw/zinc/25/95/51/1184259551.db2.gz CJNBFDFFUMCYOM-YJBOKZPZSA-N 2 1 343.446 2.223 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269564864 1184396351 /nfs/dbraw/zinc/39/63/51/1184396351.db2.gz LROSGDMZIMLYIO-DWBSNAHUSA-N 2 1 349.519 2.031 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001691508402 1185363749 /nfs/dbraw/zinc/36/37/49/1185363749.db2.gz NCWIXRSISFVISF-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001271528977 1186293443 /nfs/dbraw/zinc/29/34/43/1186293443.db2.gz DJBNWHXEULCGIZ-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691553893 1188254024 /nfs/dbraw/zinc/25/40/24/1188254024.db2.gz KKAFACFOYJTMLT-RBUKOAKNSA-N 2 1 327.472 2.241 10 30 EEEEMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001691553893 1188254027 /nfs/dbraw/zinc/25/40/27/1188254027.db2.gz KKAFACFOYJTMLT-RBUKOAKNSA-N 2 1 327.472 2.241 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001691553893 1188254032 /nfs/dbraw/zinc/25/40/32/1188254032.db2.gz KKAFACFOYJTMLT-RBUKOAKNSA-N 2 1 327.472 2.241 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001486135864 1193691758 /nfs/dbraw/zinc/69/17/58/1193691758.db2.gz RJCLNMFWFJRHQG-VQIMIIECSA-N 2 1 345.462 2.096 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483943168 1191126026 /nfs/dbraw/zinc/12/60/26/1191126026.db2.gz UQGAJUIVLOZIEJ-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CCF)CC1 ZINC001483992311 1191141262 /nfs/dbraw/zinc/14/12/62/1191141262.db2.gz KGUKJKMWKTZGKF-UHFFFAOYSA-N 2 1 337.483 2.148 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001484323522 1191304884 /nfs/dbraw/zinc/30/48/84/1191304884.db2.gz GPOATSXJJSNYPZ-SLFFLAALSA-N 2 1 341.499 2.359 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC001484693183 1191469085 /nfs/dbraw/zinc/46/90/85/1191469085.db2.gz DEJWUPMLVVTNLI-RBUKOAKNSA-N 2 1 345.487 2.073 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688930 1191481507 /nfs/dbraw/zinc/48/15/07/1191481507.db2.gz UEESUJLUMUTTJD-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001484772537 1191514939 /nfs/dbraw/zinc/51/49/39/1191514939.db2.gz WFJISBPPDBJTJW-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772537 1191514941 /nfs/dbraw/zinc/51/49/41/1191514941.db2.gz WFJISBPPDBJTJW-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772537 1191514942 /nfs/dbraw/zinc/51/49/42/1191514942.db2.gz WFJISBPPDBJTJW-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001485512277 1191815808 /nfs/dbraw/zinc/81/58/08/1191815808.db2.gz MUGMGLXKSFFWOU-ZIAGYGMSSA-N 2 1 334.464 2.141 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001486234963 1193787372 /nfs/dbraw/zinc/78/73/72/1193787372.db2.gz PFZOCKDTVROQJZ-MSOLQXFVSA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001486440423 1193967830 /nfs/dbraw/zinc/96/78/30/1193967830.db2.gz NKEINOMEUCVGQE-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001691695620 1199085410 /nfs/dbraw/zinc/08/54/10/1199085410.db2.gz DSOAVHBAWPUTFW-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001691695620 1199085419 /nfs/dbraw/zinc/08/54/19/1199085419.db2.gz DSOAVHBAWPUTFW-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762248 1199761147 /nfs/dbraw/zinc/76/11/47/1199761147.db2.gz CXZFFRWSPSSOOV-IRXDYDNUSA-N 2 1 335.879 2.437 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609033 1205095493 /nfs/dbraw/zinc/09/54/93/1205095493.db2.gz HUOJNGLHFUXAOX-HMECNJMJSA-N 2 1 340.471 2.195 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275309820 1205305534 /nfs/dbraw/zinc/30/55/34/1205305534.db2.gz NHMNDSAQNAJTDQ-KRWDZBQOSA-N 2 1 329.488 2.110 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691736731 1210719887 /nfs/dbraw/zinc/71/98/87/1210719887.db2.gz BZNNTBCUZSGRBP-ZIFCJYIRSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046277 1233989623 /nfs/dbraw/zinc/98/96/23/1233989623.db2.gz WPMLOYWNUGTZSU-UHFFFAOYSA-N 2 1 340.471 2.100 10 30 EEEEMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948618 1239163653 /nfs/dbraw/zinc/16/36/53/1239163653.db2.gz VAEILXQHFFKFHN-DNVCBOLYSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948618 1239163657 /nfs/dbraw/zinc/16/36/57/1239163657.db2.gz VAEILXQHFFKFHN-DNVCBOLYSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948618 1239163660 /nfs/dbraw/zinc/16/36/60/1239163660.db2.gz VAEILXQHFFKFHN-DNVCBOLYSA-N 2 1 336.439 2.371 10 30 EEEEMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC000931309305 1297130818 /nfs/dbraw/zinc/13/08/18/1297130818.db2.gz YLUNRMGOGLNVNI-RTBURBONSA-N 2 1 326.444 2.160 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001264586538 1322741566 /nfs/dbraw/zinc/74/15/66/1322741566.db2.gz RAHIXCUYNJPNSQ-MISYRCLQSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235979 1323001918 /nfs/dbraw/zinc/00/19/18/1323001918.db2.gz ZTTDTZWTDQHVPY-PKOBYXMFSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265682212 1323318066 /nfs/dbraw/zinc/31/80/66/1323318066.db2.gz NGKBLAQLVDGPOS-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001282310804 1325685779 /nfs/dbraw/zinc/68/57/79/1325685779.db2.gz SZDRXJWVOOSBQQ-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001316651725 1328478738 /nfs/dbraw/zinc/47/87/38/1328478738.db2.gz ASCDHHVGDJNFNJ-KSZLIROESA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001316651725 1328478743 /nfs/dbraw/zinc/47/87/43/1328478743.db2.gz ASCDHHVGDJNFNJ-KSZLIROESA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492177439 1331056414 /nfs/dbraw/zinc/05/64/14/1331056414.db2.gz GRCZKJTXDMTOOH-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC(=C)Cl)C2CC2)CC1 ZINC001316926523 1331993415 /nfs/dbraw/zinc/99/34/15/1331993415.db2.gz CPHLXAWWSVAFBK-UHFFFAOYSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC(=C)Cl)C2CC2)CC1 ZINC001316926523 1331993417 /nfs/dbraw/zinc/99/34/17/1331993417.db2.gz CPHLXAWWSVAFBK-UHFFFAOYSA-N 2 1 337.895 2.055 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317264008 1332157845 /nfs/dbraw/zinc/15/78/45/1332157845.db2.gz KKXKMFYXBMOIKW-INIZCTEOSA-N 2 1 347.478 2.249 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001317396880 1332213432 /nfs/dbraw/zinc/21/34/32/1332213432.db2.gz RMWZEVZAMUFSNO-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001317396880 1332213435 /nfs/dbraw/zinc/21/34/35/1332213435.db2.gz RMWZEVZAMUFSNO-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317624833 1332334405 /nfs/dbraw/zinc/33/44/05/1332334405.db2.gz XDVZBAXQVXXYHJ-CQSZACIVSA-N 2 1 346.313 2.065 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001318976090 1332631466 /nfs/dbraw/zinc/63/14/66/1332631466.db2.gz KJWVRIFCNLJACR-MXVIHJGJSA-N 2 1 341.499 2.201 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324729342 1333747797 /nfs/dbraw/zinc/74/77/97/1333747797.db2.gz XPLYIPCIAWLDDD-VQIMIIECSA-N 2 1 330.476 2.248 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001326747634 1334153706 /nfs/dbraw/zinc/15/37/06/1334153706.db2.gz BIKIDMGIHUMIDV-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001328468278 1334463265 /nfs/dbraw/zinc/46/32/65/1334463265.db2.gz KNRQVXGUIJSUMT-AZUAARDMSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001328468278 1334463266 /nfs/dbraw/zinc/46/32/66/1334463266.db2.gz KNRQVXGUIJSUMT-AZUAARDMSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001328468278 1334463268 /nfs/dbraw/zinc/46/32/68/1334463268.db2.gz KNRQVXGUIJSUMT-AZUAARDMSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001328468278 1334463270 /nfs/dbraw/zinc/46/32/70/1334463270.db2.gz KNRQVXGUIJSUMT-AZUAARDMSA-N 2 1 339.483 2.210 10 30 EEEEMP C=CCCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001328491594 1334467277 /nfs/dbraw/zinc/46/72/77/1334467277.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001328491594 1334467278 /nfs/dbraw/zinc/46/72/78/1334467278.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001328491594 1334467280 /nfs/dbraw/zinc/46/72/80/1334467280.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922113 1334740126 /nfs/dbraw/zinc/74/01/26/1334740126.db2.gz AFYWRENEXNCAQM-SFHVURJKSA-N 2 1 349.519 2.178 10 30 EEEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330056540 1334770507 /nfs/dbraw/zinc/77/05/07/1334770507.db2.gz ZFWYOYVCDAZXLM-ZBFHGGJFSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261912 1334814830 /nfs/dbraw/zinc/81/48/30/1334814830.db2.gz ISARHWFXEPMWEG-SFHVURJKSA-N 2 1 331.504 2.124 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001331215461 1334981205 /nfs/dbraw/zinc/98/12/05/1334981205.db2.gz ZDRYYUQZUKEFLC-HSALFYBXSA-N 2 1 341.499 2.086 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001673242473 1356656901 /nfs/dbraw/zinc/65/69/01/1356656901.db2.gz ZQCMJLUGRMKCSU-UHFFFAOYSA-N 2 1 345.462 2.146 10 30 EEEEMP CCC[NH+](C)CC(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1 ZINC001570215862 1343033223 /nfs/dbraw/zinc/03/32/23/1343033223.db2.gz PCBSQQKKCBFZSA-UHFFFAOYSA-N 2 1 329.488 2.160 10 30 EEEEMP CCC[NH+](C)CC(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1 ZINC001570215862 1343033226 /nfs/dbraw/zinc/03/32/26/1343033226.db2.gz PCBSQQKKCBFZSA-UHFFFAOYSA-N 2 1 329.488 2.160 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001571700499 1343280763 /nfs/dbraw/zinc/28/07/63/1343280763.db2.gz FLNRZZPHDCLKAI-UHFFFAOYSA-N 2 1 339.483 2.127 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001571700499 1343280766 /nfs/dbraw/zinc/28/07/66/1343280766.db2.gz FLNRZZPHDCLKAI-UHFFFAOYSA-N 2 1 339.483 2.127 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001571700499 1343280772 /nfs/dbraw/zinc/28/07/72/1343280772.db2.gz FLNRZZPHDCLKAI-UHFFFAOYSA-N 2 1 339.483 2.127 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001571700499 1343280777 /nfs/dbraw/zinc/28/07/77/1343280777.db2.gz FLNRZZPHDCLKAI-UHFFFAOYSA-N 2 1 339.483 2.127 10 30 EEEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001676243247 1357125673 /nfs/dbraw/zinc/12/56/73/1357125673.db2.gz AYJOIZINNBIBKW-SJLPKXTDSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001676364964 1357141206 /nfs/dbraw/zinc/14/12/06/1357141206.db2.gz PWISVUHIEMCFCL-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001676364964 1357141210 /nfs/dbraw/zinc/14/12/10/1357141210.db2.gz PWISVUHIEMCFCL-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+](C)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C(C)C ZINC001677211189 1357296014 /nfs/dbraw/zinc/29/60/14/1357296014.db2.gz DPYQNKBADLMKPJ-UHFFFAOYSA-N 2 1 329.488 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661067123 1354584593 /nfs/dbraw/zinc/58/45/93/1354584593.db2.gz WKPLTRBNMFHCIO-ROUUACIJSA-N 2 1 349.494 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661067123 1354584596 /nfs/dbraw/zinc/58/45/96/1354584596.db2.gz WKPLTRBNMFHCIO-ROUUACIJSA-N 2 1 349.494 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001662244308 1354768040 /nfs/dbraw/zinc/76/80/40/1354768040.db2.gz IUCXDOBCNZNKRE-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001662244308 1354768046 /nfs/dbraw/zinc/76/80/46/1354768046.db2.gz IUCXDOBCNZNKRE-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663684219 1355016597 /nfs/dbraw/zinc/01/65/97/1355016597.db2.gz SNHFOTGITPMTBE-LJQANCHMSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663684219 1355016600 /nfs/dbraw/zinc/01/66/00/1355016600.db2.gz SNHFOTGITPMTBE-LJQANCHMSA-N 2 1 341.499 2.208 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001663684219 1355016603 /nfs/dbraw/zinc/01/66/03/1355016603.db2.gz SNHFOTGITPMTBE-LJQANCHMSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CC[NH2+]C[C@@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@H]1C ZINC001666054613 1355433988 /nfs/dbraw/zinc/43/39/88/1355433988.db2.gz CINSBGSIKFVMKU-KDOFPFPSSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001666145013 1355466065 /nfs/dbraw/zinc/46/60/65/1355466065.db2.gz BNLMLDKJNPKQQH-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001666501231 1355535270 /nfs/dbraw/zinc/53/52/70/1355535270.db2.gz QVGXQRREYWEHLM-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001666501231 1355535274 /nfs/dbraw/zinc/53/52/74/1355535274.db2.gz QVGXQRREYWEHLM-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668174216 1355892221 /nfs/dbraw/zinc/89/22/21/1355892221.db2.gz WXWODSXAFDEACN-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001671673542 1356390296 /nfs/dbraw/zinc/39/02/96/1356390296.db2.gz JOSKAUNMKFAYGD-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001671673542 1356390301 /nfs/dbraw/zinc/39/03/01/1356390301.db2.gz JOSKAUNMKFAYGD-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001671673542 1356390305 /nfs/dbraw/zinc/39/03/05/1356390305.db2.gz JOSKAUNMKFAYGD-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001671673542 1356390310 /nfs/dbraw/zinc/39/03/10/1356390310.db2.gz JOSKAUNMKFAYGD-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1CC ZINC001672183080 1356475375 /nfs/dbraw/zinc/47/53/75/1356475375.db2.gz MGPUBTBPECWUNE-IBGZPJMESA-N 2 1 329.488 2.359 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001699425521 1405354645 /nfs/dbraw/zinc/35/46/45/1405354645.db2.gz ORSGXMWJAPPFON-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699680975 1405438060 /nfs/dbraw/zinc/43/80/60/1405438060.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699680975 1405438066 /nfs/dbraw/zinc/43/80/66/1405438066.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699680975 1405438071 /nfs/dbraw/zinc/43/80/71/1405438071.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 2 1 349.519 2.127 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445572279 1091351393 /nfs/dbraw/zinc/35/13/93/1091351393.db2.gz OJXXFFNXWVZHBS-LPHOPBHVSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445768022 1091624132 /nfs/dbraw/zinc/62/41/32/1091624132.db2.gz MYCOZYBTFSEWKI-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445768022 1091624134 /nfs/dbraw/zinc/62/41/34/1091624134.db2.gz MYCOZYBTFSEWKI-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445768022 1091624137 /nfs/dbraw/zinc/62/41/37/1091624137.db2.gz MYCOZYBTFSEWKI-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445768022 1091624140 /nfs/dbraw/zinc/62/41/40/1091624140.db2.gz MYCOZYBTFSEWKI-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001439364269 1092086149 /nfs/dbraw/zinc/08/61/49/1092086149.db2.gz MYCOZYBTFSEWKI-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001439364269 1092086157 /nfs/dbraw/zinc/08/61/57/1092086157.db2.gz MYCOZYBTFSEWKI-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439364269 1092086170 /nfs/dbraw/zinc/08/61/70/1092086170.db2.gz MYCOZYBTFSEWKI-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001439364269 1092086178 /nfs/dbraw/zinc/08/61/78/1092086178.db2.gz MYCOZYBTFSEWKI-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001440660907 1093930412 /nfs/dbraw/zinc/93/04/12/1093930412.db2.gz RHAHVEYGZZNFQP-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001479792381 1098999064 /nfs/dbraw/zinc/99/90/64/1098999064.db2.gz SDJXJZBZALDTOY-ICSRJNTNSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001479792381 1098999071 /nfs/dbraw/zinc/99/90/71/1098999071.db2.gz SDJXJZBZALDTOY-ICSRJNTNSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001479792381 1098999081 /nfs/dbraw/zinc/99/90/81/1098999081.db2.gz SDJXJZBZALDTOY-ICSRJNTNSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001444739744 1099615891 /nfs/dbraw/zinc/61/58/91/1099615891.db2.gz BEHZYDPOKSNWLX-YOEHRIQHSA-N 2 1 348.516 2.334 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001480478904 1100286173 /nfs/dbraw/zinc/28/61/73/1100286173.db2.gz BDZTYTAVCKNDRI-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001480478904 1100286175 /nfs/dbraw/zinc/28/61/75/1100286175.db2.gz BDZTYTAVCKNDRI-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001495427696 1101145290 /nfs/dbraw/zinc/14/52/90/1101145290.db2.gz DMGKQOHAWIJLEV-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184514 1102088407 /nfs/dbraw/zinc/08/84/07/1102088407.db2.gz AHZWKIYANHJAPW-ICSRJNTNSA-N 2 1 341.499 2.395 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196579 1102109176 /nfs/dbraw/zinc/10/91/76/1102109176.db2.gz AMFHSNCUXQTDPX-YOEHRIQHSA-N 2 1 348.516 2.479 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccc(C#N)s1 ZINC001447371777 1102546489 /nfs/dbraw/zinc/54/64/89/1102546489.db2.gz GPPLGBAWCCWZQV-UHFFFAOYSA-N 2 1 336.505 2.240 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001447371777 1102546497 /nfs/dbraw/zinc/54/64/97/1102546497.db2.gz GPPLGBAWCCWZQV-UHFFFAOYSA-N 2 1 336.505 2.240 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001447371777 1102546502 /nfs/dbraw/zinc/54/65/02/1102546502.db2.gz GPPLGBAWCCWZQV-UHFFFAOYSA-N 2 1 336.505 2.240 10 30 EEEEMP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001494154961 1103615309 /nfs/dbraw/zinc/61/53/09/1103615309.db2.gz AEFFBVNQHFGIRV-FQEVSTJZSA-N 2 1 341.499 2.160 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC001468760879 1110480000 /nfs/dbraw/zinc/48/00/00/1110480000.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC001468760879 1110480002 /nfs/dbraw/zinc/48/00/02/1110480002.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC001468760879 1110480003 /nfs/dbraw/zinc/48/00/03/1110480003.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 2 1 336.524 2.141 10 30 EEEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500505641 1112897219 /nfs/dbraw/zinc/89/72/19/1112897219.db2.gz USCFMFVUELWUAF-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505641 1112897220 /nfs/dbraw/zinc/89/72/20/1112897220.db2.gz USCFMFVUELWUAF-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500505641 1112897221 /nfs/dbraw/zinc/89/72/21/1112897221.db2.gz USCFMFVUELWUAF-AZUAARDMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001500511789 1112904473 /nfs/dbraw/zinc/90/44/73/1112904473.db2.gz KIJQQVMDGQMWRO-OAQYLSRUSA-N 2 1 341.499 2.256 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCOCC1 ZINC001500582129 1112954809 /nfs/dbraw/zinc/95/48/09/1112954809.db2.gz SMYMEXMNMPOASZ-SFHVURJKSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500616606 1112979025 /nfs/dbraw/zinc/97/90/25/1112979025.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500616606 1112979029 /nfs/dbraw/zinc/97/90/29/1112979029.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500616606 1112979032 /nfs/dbraw/zinc/97/90/32/1112979032.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001501679492 1113430747 /nfs/dbraw/zinc/43/07/47/1113430747.db2.gz QNWSLFZHQWPKOQ-LPHOPBHVSA-N 2 1 327.472 2.461 10 30 EEEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001501679491 1113430885 /nfs/dbraw/zinc/43/08/85/1113430885.db2.gz QNWSLFZHQWPKOQ-APWZRJJASA-N 2 1 327.472 2.461 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001502125687 1113602856 /nfs/dbraw/zinc/60/28/56/1113602856.db2.gz IMEQAQDRPMIYPR-GOSISDBHSA-N 2 1 349.519 2.036 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918363 1114276074 /nfs/dbraw/zinc/27/60/74/1114276074.db2.gz KIQSBVMILLIRSB-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918363 1114276077 /nfs/dbraw/zinc/27/60/77/1114276077.db2.gz KIQSBVMILLIRSB-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001505918363 1114276080 /nfs/dbraw/zinc/27/60/80/1114276080.db2.gz KIQSBVMILLIRSB-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001505918363 1114276084 /nfs/dbraw/zinc/27/60/84/1114276084.db2.gz KIQSBVMILLIRSB-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001506865278 1114934026 /nfs/dbraw/zinc/93/40/26/1114934026.db2.gz NMUKLICKVLLODW-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001506865278 1114934029 /nfs/dbraw/zinc/93/40/29/1114934029.db2.gz NMUKLICKVLLODW-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001506865278 1114934032 /nfs/dbraw/zinc/93/40/32/1114934032.db2.gz NMUKLICKVLLODW-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001506865278 1114934034 /nfs/dbraw/zinc/93/40/34/1114934034.db2.gz NMUKLICKVLLODW-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001506958326 1115005988 /nfs/dbraw/zinc/00/59/88/1115005988.db2.gz DBEXCFFLPWMZNI-LJQANCHMSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001506958326 1115005990 /nfs/dbraw/zinc/00/59/90/1115005990.db2.gz DBEXCFFLPWMZNI-LJQANCHMSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001506958326 1115005992 /nfs/dbraw/zinc/00/59/92/1115005992.db2.gz DBEXCFFLPWMZNI-LJQANCHMSA-N 2 1 331.504 2.340 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001507363532 1115223734 /nfs/dbraw/zinc/22/37/34/1115223734.db2.gz LXTOHTDLCLUUTC-ARFHVFGLSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001508042276 1115398700 /nfs/dbraw/zinc/39/87/00/1115398700.db2.gz ATEZYMCXWHFMIJ-GOSISDBHSA-N 2 1 329.488 2.262 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001508042276 1115398703 /nfs/dbraw/zinc/39/87/03/1115398703.db2.gz ATEZYMCXWHFMIJ-GOSISDBHSA-N 2 1 329.488 2.262 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001520505572 1119171272 /nfs/dbraw/zinc/17/12/72/1119171272.db2.gz WPLBNDVFLWVPOU-ZACQAIPSSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001520505572 1119171275 /nfs/dbraw/zinc/17/12/75/1119171275.db2.gz WPLBNDVFLWVPOU-ZACQAIPSSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001520505572 1119171276 /nfs/dbraw/zinc/17/12/76/1119171276.db2.gz WPLBNDVFLWVPOU-ZACQAIPSSA-N 2 1 346.523 2.397 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001520505572 1119171280 /nfs/dbraw/zinc/17/12/80/1119171280.db2.gz WPLBNDVFLWVPOU-ZACQAIPSSA-N 2 1 346.523 2.397 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568647365 1124659015 /nfs/dbraw/zinc/65/90/15/1124659015.db2.gz YJCXLAYEYUXBJZ-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001569121927 1125112244 /nfs/dbraw/zinc/11/22/44/1125112244.db2.gz RWNMLSAUGZWOBC-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001569121927 1125112248 /nfs/dbraw/zinc/11/22/48/1125112248.db2.gz RWNMLSAUGZWOBC-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCC2(CC2)CC1 ZINC001569121927 1125112251 /nfs/dbraw/zinc/11/22/51/1125112251.db2.gz RWNMLSAUGZWOBC-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCC2(CC2)CC1 ZINC001569121927 1125112254 /nfs/dbraw/zinc/11/22/54/1125112254.db2.gz RWNMLSAUGZWOBC-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2F)CC1 ZINC001569152878 1125131491 /nfs/dbraw/zinc/13/14/91/1125131491.db2.gz KXQVAAFYBFKEBC-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001569152878 1125131493 /nfs/dbraw/zinc/13/14/93/1125131493.db2.gz KXQVAAFYBFKEBC-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000154548327 224269029 /nfs/dbraw/zinc/26/90/29/224269029.db2.gz XBAJXWHUUPRHHI-RTBURBONSA-N 2 1 349.438 2.333 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000154548327 224269030 /nfs/dbraw/zinc/26/90/30/224269030.db2.gz XBAJXWHUUPRHHI-RTBURBONSA-N 2 1 349.438 2.333 10 30 EEEEMP N#CC1(C[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000528485366 467685491 /nfs/dbraw/zinc/68/54/91/467685491.db2.gz MXHLNOUWHJTELV-QGZVFWFLSA-N 2 1 328.460 2.454 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596909911 469405133 /nfs/dbraw/zinc/40/51/33/469405133.db2.gz CRYTZEHQZVEWPN-ZDUSSCGKSA-N 2 1 335.427 2.091 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596909911 469405139 /nfs/dbraw/zinc/40/51/39/469405139.db2.gz CRYTZEHQZVEWPN-ZDUSSCGKSA-N 2 1 335.427 2.091 10 30 EEEEMP C=CCOCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638414458 471084431 /nfs/dbraw/zinc/08/44/31/471084431.db2.gz GFVOIJJFGFZZKX-UHFFFAOYSA-N 2 1 345.487 2.079 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662670288 472196598 /nfs/dbraw/zinc/19/65/98/472196598.db2.gz JMHGNDIDXNGUPX-HXUWFJFHSA-N 2 1 327.472 2.072 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684832 472205873 /nfs/dbraw/zinc/20/58/73/472205873.db2.gz JTVQFSKURVDIPT-KBXCAEBGSA-N 2 1 333.501 2.309 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684832 472205874 /nfs/dbraw/zinc/20/58/74/472205874.db2.gz JTVQFSKURVDIPT-KBXCAEBGSA-N 2 1 333.501 2.309 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001485730485 1191920706 /nfs/dbraw/zinc/92/07/06/1191920706.db2.gz LOYHJMPIFRRCKF-QGZVFWFLSA-N 2 1 338.455 2.118 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497187 1176842586 /nfs/dbraw/zinc/84/25/86/1176842586.db2.gz NPYUAKMFTIXERY-PKOBYXMFSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001691796460 1176865559 /nfs/dbraw/zinc/86/55/59/1176865559.db2.gz IMHFDERNDBRZKP-RTBURBONSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691796460 1176865566 /nfs/dbraw/zinc/86/55/66/1176865566.db2.gz IMHFDERNDBRZKP-RTBURBONSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001692014515 1177678017 /nfs/dbraw/zinc/67/80/17/1177678017.db2.gz YLTQRCZCJXFPNY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001692014515 1177678021 /nfs/dbraw/zinc/67/80/21/1177678021.db2.gz YLTQRCZCJXFPNY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001692014515 1177678026 /nfs/dbraw/zinc/67/80/26/1177678026.db2.gz YLTQRCZCJXFPNY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947513 1178621324 /nfs/dbraw/zinc/62/13/24/1178621324.db2.gz YXLBEMQBGNIHNO-HOTGVXAUSA-N 2 1 327.488 2.459 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001481059783 1179652019 /nfs/dbraw/zinc/65/20/19/1179652019.db2.gz PIKJLEHCIFNRPH-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001481059783 1179652023 /nfs/dbraw/zinc/65/20/23/1179652023.db2.gz PIKJLEHCIFNRPH-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001481059783 1179652029 /nfs/dbraw/zinc/65/20/29/1179652029.db2.gz PIKJLEHCIFNRPH-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001267653041 1180105204 /nfs/dbraw/zinc/10/52/04/1180105204.db2.gz JRSPXDLQRYZSHK-IAGOWNOFSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267653041 1180105208 /nfs/dbraw/zinc/10/52/08/1180105208.db2.gz JRSPXDLQRYZSHK-IAGOWNOFSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267653041 1180105212 /nfs/dbraw/zinc/10/52/12/1180105212.db2.gz JRSPXDLQRYZSHK-IAGOWNOFSA-N 2 1 330.476 2.200 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024573 1181036156 /nfs/dbraw/zinc/03/61/56/1181036156.db2.gz IQJZIDODPAMTSY-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001481863046 1182820089 /nfs/dbraw/zinc/82/00/89/1182820089.db2.gz ZAKCYHWLYJHVAS-MRXNPFEDSA-N 2 1 327.432 2.332 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001482114142 1183344460 /nfs/dbraw/zinc/34/44/60/1183344460.db2.gz ZBKQIHRHSQILBG-KBXCAEBGSA-N 2 1 346.450 2.024 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268629949 1183554183 /nfs/dbraw/zinc/55/41/83/1183554183.db2.gz BDXOPANWKHXBFU-VGOKWCNXSA-N 2 1 346.500 2.256 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001268822334 1183741284 /nfs/dbraw/zinc/74/12/84/1183741284.db2.gz MYTADKHZBOVAJI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001268822334 1183741287 /nfs/dbraw/zinc/74/12/87/1183741287.db2.gz MYTADKHZBOVAJI-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001268944026 1183840830 /nfs/dbraw/zinc/84/08/30/1183840830.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 1 343.475 2.041 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001268944026 1183840832 /nfs/dbraw/zinc/84/08/32/1183840832.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 1 343.475 2.041 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001268944026 1183840834 /nfs/dbraw/zinc/84/08/34/1183840834.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 1 343.475 2.041 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001269632423 1184456753 /nfs/dbraw/zinc/45/67/53/1184456753.db2.gz BSWOFVVZPQVIHY-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001482397762 1185606854 /nfs/dbraw/zinc/60/68/54/1185606854.db2.gz DMZWBTBRBXJVHL-INIZCTEOSA-N 2 1 327.432 2.187 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001270965577 1185776725 /nfs/dbraw/zinc/77/67/25/1185776725.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN(C/C=C/Cl)C1 ZINC001270965577 1185776731 /nfs/dbraw/zinc/77/67/31/1185776731.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 1 337.895 2.055 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483226592 1189469626 /nfs/dbraw/zinc/46/96/26/1189469626.db2.gz BBDBDYBULVRKSK-MAUKXSAKSA-N 2 1 328.460 2.025 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001483817492 1191045706 /nfs/dbraw/zinc/04/57/06/1191045706.db2.gz OHDPDKAODTYSRD-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483989009 1191144289 /nfs/dbraw/zinc/14/42/89/1191144289.db2.gz UBCKXLQVRWJMCI-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001484000694 1191150539 /nfs/dbraw/zinc/15/05/39/1191150539.db2.gz IUZRFYNXSPVZCQ-MOPGFXCFSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484159302 1191248204 /nfs/dbraw/zinc/24/82/04/1191248204.db2.gz RULJFHYCKJOONA-WMZOPIPTSA-N 2 1 339.911 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484159302 1191248206 /nfs/dbraw/zinc/24/82/06/1191248206.db2.gz RULJFHYCKJOONA-WMZOPIPTSA-N 2 1 339.911 2.299 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688932 1191481766 /nfs/dbraw/zinc/48/17/66/1191481766.db2.gz UEESUJLUMUTTJD-YJBOKZPZSA-N 2 1 347.890 2.270 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001484778157 1191516780 /nfs/dbraw/zinc/51/67/80/1191516780.db2.gz IRVZNEQOEMXUSD-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273018789 1194325197 /nfs/dbraw/zinc/32/51/97/1194325197.db2.gz OSBGXQBEWLUUAA-LSDHHAIUSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001273100162 1194384134 /nfs/dbraw/zinc/38/41/34/1194384134.db2.gz PABDYQUSKGHCMI-SFHVURJKSA-N 2 1 329.488 2.213 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001273100162 1194384138 /nfs/dbraw/zinc/38/41/38/1194384138.db2.gz PABDYQUSKGHCMI-SFHVURJKSA-N 2 1 329.488 2.213 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001273261255 1197849355 /nfs/dbraw/zinc/84/93/55/1197849355.db2.gz SKMXOEPAKTWTBR-HKUYNNGSSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273301266 1197994598 /nfs/dbraw/zinc/99/45/98/1197994598.db2.gz ROBNACBVURLZCE-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000876837794 1199791436 /nfs/dbraw/zinc/79/14/36/1199791436.db2.gz FUSZTIYTUBIKNL-UONOGXRCSA-N 2 1 328.243 2.283 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901068 1199812952 /nfs/dbraw/zinc/81/29/52/1199812952.db2.gz XWSFBLHALAMHIP-XIRDDKMYSA-N 2 1 335.879 2.483 10 30 EEEEMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001275190839 1205278081 /nfs/dbraw/zinc/27/80/81/1205278081.db2.gz NSWFAKAQROHGAY-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001275190839 1205278082 /nfs/dbraw/zinc/27/80/82/1205278082.db2.gz NSWFAKAQROHGAY-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001275190839 1205278083 /nfs/dbraw/zinc/27/80/83/1205278083.db2.gz NSWFAKAQROHGAY-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001491048053 1258608040 /nfs/dbraw/zinc/60/80/40/1258608040.db2.gz OQKHFZRYIYWYBG-PQEBFOHHSA-N 2 1 330.476 2.345 10 30 EEEEMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296837 1258913190 /nfs/dbraw/zinc/91/31/90/1258913190.db2.gz GJAAAZICZOLMGN-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273849096 1286761733 /nfs/dbraw/zinc/76/17/33/1286761733.db2.gz PUKWBVPIILXIRO-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001489271697 1290499226 /nfs/dbraw/zinc/49/92/26/1290499226.db2.gz LGLMRCXWTDNHSF-MJGOQNOKSA-N 2 1 339.483 2.101 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001489271697 1290499230 /nfs/dbraw/zinc/49/92/30/1290499230.db2.gz LGLMRCXWTDNHSF-MJGOQNOKSA-N 2 1 339.483 2.101 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490765295 1291699288 /nfs/dbraw/zinc/69/92/88/1291699288.db2.gz MOXXSAPUGQVHTP-SFHVURJKSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388535 1297159201 /nfs/dbraw/zinc/15/92/01/1297159201.db2.gz ISANWCWYPUNTQU-VQIMIIECSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001278079472 1305879186 /nfs/dbraw/zinc/87/91/86/1305879186.db2.gz IUIBGSVKMSMMTH-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001263848328 1322536476 /nfs/dbraw/zinc/53/64/76/1322536476.db2.gz PGUKWVCVSWCADU-UHOSZYNNSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001264740281 1322797583 /nfs/dbraw/zinc/79/75/83/1322797583.db2.gz MAXVXFMWFDAQTG-DLBZAZTESA-N 2 1 325.472 2.003 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082920 1323640388 /nfs/dbraw/zinc/64/03/88/1323640388.db2.gz QIMNLUHOWYRJDT-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082920 1323640394 /nfs/dbraw/zinc/64/03/94/1323640394.db2.gz QIMNLUHOWYRJDT-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280198178 1324110853 /nfs/dbraw/zinc/11/08/53/1324110853.db2.gz OFTDBXXJTXOWML-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP CCCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282783170 1325785576 /nfs/dbraw/zinc/78/55/76/1325785576.db2.gz XSPOFJZUWZKMQH-IBGZPJMESA-N 2 1 339.524 2.212 10 30 EEEEMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001284794685 1326718356 /nfs/dbraw/zinc/71/83/56/1326718356.db2.gz KLVFZTCKPJNMPW-ABHNRTSZSA-N 2 1 337.508 2.031 10 30 EEEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001491951401 1330342954 /nfs/dbraw/zinc/34/29/54/1330342954.db2.gz IBHRXNWEJACPCD-MRXNPFEDSA-N 2 1 346.475 2.383 10 30 EEEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001491951401 1330342958 /nfs/dbraw/zinc/34/29/58/1330342958.db2.gz IBHRXNWEJACPCD-MRXNPFEDSA-N 2 1 346.475 2.383 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC(=C)C ZINC001492158654 1331022155 /nfs/dbraw/zinc/02/21/55/1331022155.db2.gz RUFWYOQHSVNJMI-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(=C)C ZINC001492158654 1331022161 /nfs/dbraw/zinc/02/21/61/1331022161.db2.gz RUFWYOQHSVNJMI-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(=C)C ZINC001492158654 1331022168 /nfs/dbraw/zinc/02/21/68/1331022168.db2.gz RUFWYOQHSVNJMI-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(=C)C ZINC001492158654 1331022170 /nfs/dbraw/zinc/02/21/70/1331022170.db2.gz RUFWYOQHSVNJMI-OALUTQOASA-N 2 1 331.504 2.411 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001317050121 1332060958 /nfs/dbraw/zinc/06/09/58/1332060958.db2.gz QVEBAKLWLVHBSA-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317050121 1332060961 /nfs/dbraw/zinc/06/09/61/1332060961.db2.gz QVEBAKLWLVHBSA-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317050121 1332060963 /nfs/dbraw/zinc/06/09/63/1332060963.db2.gz QVEBAKLWLVHBSA-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001317050121 1332060970 /nfs/dbraw/zinc/06/09/70/1332060970.db2.gz QVEBAKLWLVHBSA-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317424587 1332228417 /nfs/dbraw/zinc/22/84/17/1332228417.db2.gz RJBCLADAEBFODN-SFHVURJKSA-N 2 1 331.504 2.247 10 30 EEEEMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)CCC1 ZINC001317503018 1332269079 /nfs/dbraw/zinc/26/90/79/1332269079.db2.gz VTLGPYCHRVOITJ-LJQANCHMSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)CCC1 ZINC001317503018 1332269080 /nfs/dbraw/zinc/26/90/80/1332269080.db2.gz VTLGPYCHRVOITJ-LJQANCHMSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317676941 1332365767 /nfs/dbraw/zinc/36/57/67/1332365767.db2.gz SBTOEGLBDJCVLP-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001321065494 1333009460 /nfs/dbraw/zinc/00/94/60/1333009460.db2.gz AOAMHJZKQVNQJV-XPQDNOAISA-N 2 1 346.500 2.112 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321532609 1333119710 /nfs/dbraw/zinc/11/97/10/1333119710.db2.gz JKPDLAHOLBOJKL-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001325363916 1333872450 /nfs/dbraw/zinc/87/24/50/1333872450.db2.gz VPGBUJSJYWAVMF-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001326419895 1334090425 /nfs/dbraw/zinc/09/04/25/1334090425.db2.gz UIXQSZUSZZTLKC-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327981743 1334373600 /nfs/dbraw/zinc/37/36/00/1334373600.db2.gz IHIROXFXCNYFRP-QGZVFWFLSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CC[N@@H+](C)CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001332707211 1335887626 /nfs/dbraw/zinc/88/76/26/1335887626.db2.gz JYGKWBMFWCMOTH-QGZVFWFLSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[N@H+](C)CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001332707211 1335887629 /nfs/dbraw/zinc/88/76/29/1335887629.db2.gz JYGKWBMFWCMOTH-QGZVFWFLSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[NH+](C)CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001332707211 1335887632 /nfs/dbraw/zinc/88/76/32/1335887632.db2.gz JYGKWBMFWCMOTH-QGZVFWFLSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[NH+](C)CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001332707211 1335887634 /nfs/dbraw/zinc/88/76/34/1335887634.db2.gz JYGKWBMFWCMOTH-QGZVFWFLSA-N 2 1 333.480 2.145 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC(C)C)CC1 ZINC001566608729 1342578612 /nfs/dbraw/zinc/57/86/12/1342578612.db2.gz CGCINPQQNKRABL-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC(C)C)CC1 ZINC001566608729 1342578616 /nfs/dbraw/zinc/57/86/16/1342578616.db2.gz CGCINPQQNKRABL-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC[NH+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001567453627 1342764244 /nfs/dbraw/zinc/76/42/44/1342764244.db2.gz LWXLNOGGGPAZAI-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001567453627 1342764247 /nfs/dbraw/zinc/76/42/47/1342764247.db2.gz LWXLNOGGGPAZAI-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001567453627 1342764251 /nfs/dbraw/zinc/76/42/51/1342764251.db2.gz LWXLNOGGGPAZAI-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001567453627 1342764253 /nfs/dbraw/zinc/76/42/53/1342764253.db2.gz LWXLNOGGGPAZAI-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676018865 1357090770 /nfs/dbraw/zinc/09/07/70/1357090770.db2.gz VASZGCRGNKFFLU-WMLDXEAASA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001569578048 1342900865 /nfs/dbraw/zinc/90/08/65/1342900865.db2.gz CVTJRWKCFGIEQH-CALCHBBNSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569984051 1342987993 /nfs/dbraw/zinc/98/79/93/1342987993.db2.gz OIWBSOBQYLLGSM-MJGOQNOKSA-N 2 1 345.531 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569984051 1342987996 /nfs/dbraw/zinc/98/79/96/1342987996.db2.gz OIWBSOBQYLLGSM-MJGOQNOKSA-N 2 1 345.531 2.348 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2nccn2C1 ZINC001657067478 1354316291 /nfs/dbraw/zinc/31/62/91/1354316291.db2.gz WSRMHBVLVBYXDP-SJORKVTESA-N 2 1 330.476 2.335 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661554848 1354657466 /nfs/dbraw/zinc/65/74/66/1354657466.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554848 1354657471 /nfs/dbraw/zinc/65/74/71/1354657471.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554848 1354657475 /nfs/dbraw/zinc/65/74/75/1354657475.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001663103465 1354914712 /nfs/dbraw/zinc/91/47/12/1354914712.db2.gz BMYWDNJCIVQQOB-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2ccc(F)cc2)CC1 ZINC001663460741 1354964797 /nfs/dbraw/zinc/96/47/97/1354964797.db2.gz BWWCSRPMLBDOJA-UHFFFAOYSA-N 2 1 345.462 2.109 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C/CC)CC1 ZINC001666291076 1355504154 /nfs/dbraw/zinc/50/41/54/1355504154.db2.gz NZZBJHSMPIFYSY-OISZBXDOSA-N 2 1 331.504 2.457 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C/CC)CC1 ZINC001666291076 1355504157 /nfs/dbraw/zinc/50/41/57/1355504157.db2.gz NZZBJHSMPIFYSY-OISZBXDOSA-N 2 1 331.504 2.457 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001667421988 1355739598 /nfs/dbraw/zinc/73/95/98/1355739598.db2.gz ZWZDZTMHRCGSQN-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001671784732 1356413899 /nfs/dbraw/zinc/41/38/99/1356413899.db2.gz KSCGFMBSIKDEIA-RTBURBONSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691864361 1404951143 /nfs/dbraw/zinc/95/11/43/1404951143.db2.gz KHSVQDCEXGCQFG-QGZVFWFLSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691864361 1404951157 /nfs/dbraw/zinc/95/11/57/1404951157.db2.gz KHSVQDCEXGCQFG-QGZVFWFLSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001691867014 1404954123 /nfs/dbraw/zinc/95/41/23/1404954123.db2.gz KZSJLQULFJVATC-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001698840589 1405102264 /nfs/dbraw/zinc/10/22/64/1405102264.db2.gz MOBFFDXCQBVRTR-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001698840590 1405102301 /nfs/dbraw/zinc/10/23/01/1405102301.db2.gz MOBFFDXCQBVRTR-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000913429095 788868618 /nfs/dbraw/zinc/86/86/18/788868618.db2.gz NBIAJDMCPIYHBE-MJGOQNOKSA-N 2 1 329.488 2.379 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439702 1125602425 /nfs/dbraw/zinc/60/24/25/1125602425.db2.gz IKTVEGJSQLUICL-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001566439702 1125602430 /nfs/dbraw/zinc/60/24/30/1125602430.db2.gz IKTVEGJSQLUICL-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001566439702 1125602437 /nfs/dbraw/zinc/60/24/37/1125602437.db2.gz IKTVEGJSQLUICL-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(C#N)c1 ZINC001566458762 1125619258 /nfs/dbraw/zinc/61/92/58/1125619258.db2.gz JUTWAMINTXZQQT-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001566458762 1125619264 /nfs/dbraw/zinc/61/92/64/1125619264.db2.gz JUTWAMINTXZQQT-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001566458762 1125619268 /nfs/dbraw/zinc/61/92/68/1125619268.db2.gz JUTWAMINTXZQQT-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448511910 1093538631 /nfs/dbraw/zinc/53/86/31/1093538631.db2.gz CYAPUOGUSQVSHN-JCNLHEQBSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001479667634 1098715657 /nfs/dbraw/zinc/71/56/57/1098715657.db2.gz WIURMCARACNJMN-FGTMMUONSA-N 2 1 339.499 2.413 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609363 1099436711 /nfs/dbraw/zinc/43/67/11/1099436711.db2.gz COWLPYGXHSKREA-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305465 1100025208 /nfs/dbraw/zinc/02/52/08/1100025208.db2.gz CVFZHCASZCQNRV-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480368544 1100145115 /nfs/dbraw/zinc/14/51/15/1100145115.db2.gz ZXOBRBGAULGOAI-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110012 1100349379 /nfs/dbraw/zinc/34/93/79/1100349379.db2.gz LSOZUHSQXNDRCH-RTBURBONSA-N 2 1 342.487 2.273 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445109997 1100349548 /nfs/dbraw/zinc/34/95/48/1100349548.db2.gz LSOZUHSQXNDRCH-MOPGFXCFSA-N 2 1 342.487 2.273 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001497382829 1102412159 /nfs/dbraw/zinc/41/21/59/1102412159.db2.gz DMZQBUWOBLRUJF-DLBZAZTESA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1c(C)cccc1C ZINC001497598628 1102726300 /nfs/dbraw/zinc/72/63/00/1102726300.db2.gz CKHHYTCBRAITDV-PRPIBZDOSA-N 2 1 339.483 2.163 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1c(C)cccc1C ZINC001497598628 1102726307 /nfs/dbraw/zinc/72/63/07/1102726307.db2.gz CKHHYTCBRAITDV-PRPIBZDOSA-N 2 1 339.483 2.163 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001494180798 1103658316 /nfs/dbraw/zinc/65/83/16/1103658316.db2.gz BMBSTNRTIZUZOE-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001494180798 1103658322 /nfs/dbraw/zinc/65/83/22/1103658322.db2.gz BMBSTNRTIZUZOE-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807131 1108686983 /nfs/dbraw/zinc/68/69/83/1108686983.db2.gz VZLUGIHDFGPUHY-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054451 1112595011 /nfs/dbraw/zinc/59/50/11/1112595011.db2.gz PFVIHVVKCXAMOC-INIZCTEOSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054451 1112595014 /nfs/dbraw/zinc/59/50/14/1112595014.db2.gz PFVIHVVKCXAMOC-INIZCTEOSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001500511787 1112904313 /nfs/dbraw/zinc/90/43/13/1112904313.db2.gz KHFMCNLMZJVYDJ-HXUWFJFHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500511787 1112904317 /nfs/dbraw/zinc/90/43/17/1112904317.db2.gz KHFMCNLMZJVYDJ-HXUWFJFHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500511787 1112904321 /nfs/dbraw/zinc/90/43/21/1112904321.db2.gz KHFMCNLMZJVYDJ-HXUWFJFHSA-N 2 1 333.520 2.493 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001500519371 1112912671 /nfs/dbraw/zinc/91/26/71/1112912671.db2.gz NKNHUPQOIZHJNH-SFHVURJKSA-N 2 1 348.516 2.290 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001501400196 1113344410 /nfs/dbraw/zinc/34/44/10/1113344410.db2.gz QOTRVSCTTFKGBE-DLBZAZTESA-N 2 1 346.500 2.137 10 30 EEEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001506027154 1114355838 /nfs/dbraw/zinc/35/58/38/1114355838.db2.gz FZIHJQQGSOWEHP-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001506027154 1114355841 /nfs/dbraw/zinc/35/58/41/1114355841.db2.gz FZIHJQQGSOWEHP-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001506961110 1115009900 /nfs/dbraw/zinc/00/99/00/1115009900.db2.gz PFKQNZDXJHCBII-UHFFFAOYSA-N 2 1 346.450 2.072 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001507291255 1115176926 /nfs/dbraw/zinc/17/69/26/1115176926.db2.gz ZIHFMUDBKORYRY-CRAIPNDOSA-N 2 1 339.443 2.426 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454697 1115279562 /nfs/dbraw/zinc/27/95/62/1115279562.db2.gz ZBFCQAYPLYDHAK-SFHVURJKSA-N 2 1 342.487 2.225 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001568176819 1124340753 /nfs/dbraw/zinc/34/07/53/1124340753.db2.gz KWGBTGLBOYNOCA-MJGOQNOKSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001568176819 1124340760 /nfs/dbraw/zinc/34/07/60/1124340760.db2.gz KWGBTGLBOYNOCA-MJGOQNOKSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568329415 1124421922 /nfs/dbraw/zinc/42/19/22/1124421922.db2.gz XPWGXDZDXBEPFE-ZWKOTPCHSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(CC)cc1 ZINC001569211150 1125167002 /nfs/dbraw/zinc/16/70/02/1125167002.db2.gz PPPAEFASUJINAD-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(CC)cc1 ZINC001569211150 1125167007 /nfs/dbraw/zinc/16/70/07/1125167007.db2.gz PPPAEFASUJINAD-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836441 781922778 /nfs/dbraw/zinc/92/27/78/781922778.db2.gz PVXOOWYVTBOFNA-HNNXBMFYSA-N 2 1 340.475 2.260 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000424179386 283128196 /nfs/dbraw/zinc/12/81/96/283128196.db2.gz YVTKKJYIOAAPBZ-JYJNAYRXSA-N 2 1 334.851 2.223 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000424179386 283128197 /nfs/dbraw/zinc/12/81/97/283128197.db2.gz YVTKKJYIOAAPBZ-JYJNAYRXSA-N 2 1 334.851 2.223 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000491632754 246090866 /nfs/dbraw/zinc/09/08/66/246090866.db2.gz QKCYBCSPPNVATB-HNNXBMFYSA-N 2 1 325.250 2.027 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000491632754 246090872 /nfs/dbraw/zinc/09/08/72/246090872.db2.gz QKCYBCSPPNVATB-HNNXBMFYSA-N 2 1 325.250 2.027 10 30 EEEEMP CC(C)CO[C@H]1CCN(CC#CC[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879630 465272676 /nfs/dbraw/zinc/27/26/76/465272676.db2.gz BYNWGCKBNWAFND-PMACEKPBSA-N 2 1 336.520 2.484 10 30 EEEEMP CC(C)CO[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879630 465272682 /nfs/dbraw/zinc/27/26/82/465272682.db2.gz BYNWGCKBNWAFND-PMACEKPBSA-N 2 1 336.520 2.484 10 30 EEEEMP CC(C)CO[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879630 465272687 /nfs/dbraw/zinc/27/26/87/465272687.db2.gz BYNWGCKBNWAFND-PMACEKPBSA-N 2 1 336.520 2.484 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000129110253 462689397 /nfs/dbraw/zinc/68/93/97/462689397.db2.gz YFFYZKGRPRTADA-SJLPKXTDSA-N 2 1 336.524 2.399 10 30 EEEEMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717275 468631903 /nfs/dbraw/zinc/63/19/03/468631903.db2.gz PXHOKWROVUDKLU-QZTJIDSGSA-N 2 1 337.508 2.159 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001372 470354126 /nfs/dbraw/zinc/35/41/26/470354126.db2.gz KDLYQYYPRCLYJT-AZUAARDMSA-N 2 1 327.472 2.384 10 30 EEEEMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000262468542 686198618 /nfs/dbraw/zinc/19/86/18/686198618.db2.gz OEFIMUNCJAYLQJ-FMKPAKJESA-N 2 1 336.505 2.166 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCCCF)C1 ZINC001691964610 1176379565 /nfs/dbraw/zinc/37/95/65/1176379565.db2.gz BEDWHZDWLANNPO-MSOLQXFVSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCCCF)C1 ZINC001691964610 1176379575 /nfs/dbraw/zinc/37/95/75/1176379575.db2.gz BEDWHZDWLANNPO-MSOLQXFVSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCCCF)C1 ZINC001691964610 1176379583 /nfs/dbraw/zinc/37/95/83/1176379583.db2.gz BEDWHZDWLANNPO-MSOLQXFVSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCCCF)C1 ZINC001691964610 1176379593 /nfs/dbraw/zinc/37/95/93/1176379593.db2.gz BEDWHZDWLANNPO-MSOLQXFVSA-N 2 1 337.483 2.004 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001266699840 1177223321 /nfs/dbraw/zinc/22/33/21/1177223321.db2.gz QJEIMVDELBUKCC-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001266699840 1177223327 /nfs/dbraw/zinc/22/33/27/1177223327.db2.gz QJEIMVDELBUKCC-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001267190075 1178460754 /nfs/dbraw/zinc/46/07/54/1178460754.db2.gz BZLTVJZQDAQAMF-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001267190075 1178460760 /nfs/dbraw/zinc/46/07/60/1178460760.db2.gz BZLTVJZQDAQAMF-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001267225229 1178538185 /nfs/dbraw/zinc/53/81/85/1178538185.db2.gz RPRLAWLIXOKTDG-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001267225229 1178538189 /nfs/dbraw/zinc/53/81/89/1178538189.db2.gz RPRLAWLIXOKTDG-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001267225229 1178538194 /nfs/dbraw/zinc/53/81/94/1178538194.db2.gz RPRLAWLIXOKTDG-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001267225229 1178538200 /nfs/dbraw/zinc/53/82/00/1178538200.db2.gz RPRLAWLIXOKTDG-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001267331205 1178768429 /nfs/dbraw/zinc/76/84/29/1178768429.db2.gz AZMWKUCWWNNZDQ-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001267331205 1178768432 /nfs/dbraw/zinc/76/84/32/1178768432.db2.gz AZMWKUCWWNNZDQ-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001481232177 1180365842 /nfs/dbraw/zinc/36/58/42/1180365842.db2.gz WWGRACLYKBJIJH-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268001215 1180953082 /nfs/dbraw/zinc/95/30/82/1180953082.db2.gz XXZPRZKLYGXUSZ-LPHOPBHVSA-N 2 1 345.462 2.003 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024571 1181035058 /nfs/dbraw/zinc/03/50/58/1181035058.db2.gz IQJZIDODPAMTSY-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268111175 1181755655 /nfs/dbraw/zinc/75/56/55/1181755655.db2.gz NFOFDBVAQATFSL-MRXNPFEDSA-N 2 1 346.475 2.028 10 30 EEEEMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481696797 1182223833 /nfs/dbraw/zinc/22/38/33/1182223833.db2.gz ZGWUKAOJVDEMDK-FQEVSTJZSA-N 2 1 339.483 2.105 10 30 EEEEMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481696797 1182223841 /nfs/dbraw/zinc/22/38/41/1182223841.db2.gz ZGWUKAOJVDEMDK-FQEVSTJZSA-N 2 1 339.483 2.105 10 30 EEEEMP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268799165 1183715406 /nfs/dbraw/zinc/71/54/06/1183715406.db2.gz VXVXPVDVUYUVPK-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001269621560 1184446521 /nfs/dbraw/zinc/44/65/21/1184446521.db2.gz GKBCEGVAWPIDAB-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001269621560 1184446523 /nfs/dbraw/zinc/44/65/23/1184446523.db2.gz GKBCEGVAWPIDAB-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001269621560 1184446535 /nfs/dbraw/zinc/44/65/35/1184446535.db2.gz GKBCEGVAWPIDAB-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270437209 1185098413 /nfs/dbraw/zinc/09/84/13/1185098413.db2.gz XXZPRZKLYGXUSZ-VQIMIIECSA-N 2 1 345.462 2.003 10 30 EEEEMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001270807179 1185406595 /nfs/dbraw/zinc/40/65/95/1185406595.db2.gz WGUYCZCLZNVVLC-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)CC(C)C ZINC001482386747 1185584734 /nfs/dbraw/zinc/58/47/34/1185584734.db2.gz JDVXZLMYHCWOGT-CABCVRRESA-N 2 1 347.425 2.157 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)CC(C)C ZINC001482386747 1185584741 /nfs/dbraw/zinc/58/47/41/1185584741.db2.gz JDVXZLMYHCWOGT-CABCVRRESA-N 2 1 347.425 2.157 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271665563 1186364304 /nfs/dbraw/zinc/36/43/04/1186364304.db2.gz LFTDICDFUAVQPN-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001271867585 1186566960 /nfs/dbraw/zinc/56/69/60/1186566960.db2.gz WPHYEWVYWLKLGI-OAGGEKHMSA-N 2 1 346.475 2.095 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001271867585 1186566965 /nfs/dbraw/zinc/56/69/65/1186566965.db2.gz WPHYEWVYWLKLGI-OAGGEKHMSA-N 2 1 346.475 2.095 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570607 1186905672 /nfs/dbraw/zinc/90/56/72/1186905672.db2.gz FPBYBOYOXSILAY-SFHVURJKSA-N 2 1 348.466 2.268 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042890 1187235572 /nfs/dbraw/zinc/23/55/72/1187235572.db2.gz JIOWSKMRIYFCMW-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042890 1187235573 /nfs/dbraw/zinc/23/55/73/1187235573.db2.gz JIOWSKMRIYFCMW-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)C[N@@H+](C)C(C)C ZINC001482970458 1187912043 /nfs/dbraw/zinc/91/20/43/1187912043.db2.gz UMUOTQCEDVEBLB-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691632308 1189309463 /nfs/dbraw/zinc/30/94/63/1189309463.db2.gz IIRIBFKELKEGDE-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001483343898 1190377982 /nfs/dbraw/zinc/37/79/82/1190377982.db2.gz LABXMXQQAYKHMC-IEBWSBKVSA-N 2 1 347.478 2.155 10 30 EEEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001484093220 1191207500 /nfs/dbraw/zinc/20/75/00/1191207500.db2.gz FOHZITPISDQOOD-YLJYHZDGSA-N 2 1 331.504 2.102 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471451 1191801359 /nfs/dbraw/zinc/80/13/59/1191801359.db2.gz HDAVEEVCUDWKFI-RBUKOAKNSA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000876714833 1199735888 /nfs/dbraw/zinc/73/58/88/1199735888.db2.gz COIPTSAZDDHQKQ-INIZCTEOSA-N 2 1 339.842 2.330 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000876714833 1199735893 /nfs/dbraw/zinc/73/58/93/1199735893.db2.gz COIPTSAZDDHQKQ-INIZCTEOSA-N 2 1 339.842 2.330 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260384 1201439586 /nfs/dbraw/zinc/43/95/86/1201439586.db2.gz CAGWCSQPWASKMI-SJORKVTESA-N 2 1 330.476 2.405 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260384 1201439587 /nfs/dbraw/zinc/43/95/87/1201439587.db2.gz CAGWCSQPWASKMI-SJORKVTESA-N 2 1 330.476 2.405 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001274345681 1205006219 /nfs/dbraw/zinc/00/62/19/1205006219.db2.gz XYFJVICUVKPDJK-ROUUACIJSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCc1ccsc1 ZINC001275849946 1205565240 /nfs/dbraw/zinc/56/52/40/1205565240.db2.gz KGMGWWDEOQVIPG-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCc1ccsc1 ZINC001275849946 1205565241 /nfs/dbraw/zinc/56/52/41/1205565241.db2.gz KGMGWWDEOQVIPG-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCc1ccsc1 ZINC001275849946 1205565242 /nfs/dbraw/zinc/56/52/42/1205565242.db2.gz KGMGWWDEOQVIPG-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCc1ccsc1 ZINC001275849946 1205565243 /nfs/dbraw/zinc/56/52/43/1205565243.db2.gz KGMGWWDEOQVIPG-AEFFLSMTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000928654904 1206408230 /nfs/dbraw/zinc/40/82/30/1206408230.db2.gz HNPFYYXQQXUUFF-FQEVSTJZSA-N 2 1 339.483 2.255 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000900311908 1234191987 /nfs/dbraw/zinc/19/19/87/1234191987.db2.gz BNLVYXYZARPOQN-UHFFFAOYSA-N 2 1 331.460 2.008 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266786548 1276619909 /nfs/dbraw/zinc/61/99/09/1276619909.db2.gz KKHNLNLDBPRCEE-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266786548 1276619916 /nfs/dbraw/zinc/61/99/16/1276619916.db2.gz KKHNLNLDBPRCEE-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001273624130 1281585305 /nfs/dbraw/zinc/58/53/05/1281585305.db2.gz PTRMQVQORRFICI-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001273624130 1281585310 /nfs/dbraw/zinc/58/53/10/1281585310.db2.gz PTRMQVQORRFICI-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001489200042 1290441369 /nfs/dbraw/zinc/44/13/69/1290441369.db2.gz PQTSHZDXGJRNCF-MOPGFXCFSA-N 2 1 345.531 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244932 1295777673 /nfs/dbraw/zinc/77/76/73/1295777673.db2.gz MZRRQBQYEUCEKO-MOPGFXCFSA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244932 1295777681 /nfs/dbraw/zinc/77/76/81/1295777681.db2.gz MZRRQBQYEUCEKO-MOPGFXCFSA-N 2 1 348.535 2.140 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001277786034 1304483623 /nfs/dbraw/zinc/48/36/23/1304483623.db2.gz SBJIXMYLRCWHSU-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001277786034 1304483628 /nfs/dbraw/zinc/48/36/28/1304483628.db2.gz SBJIXMYLRCWHSU-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001278519987 1317127031 /nfs/dbraw/zinc/12/70/31/1317127031.db2.gz BCLFHVZXUREFEU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC#Cc1ccccc1 ZINC001278519987 1317127039 /nfs/dbraw/zinc/12/70/39/1317127039.db2.gz BCLFHVZXUREFEU-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278678403 1317674990 /nfs/dbraw/zinc/67/49/90/1317674990.db2.gz QQZWIEIWCMCNSE-OAQYLSRUSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278678403 1317674994 /nfs/dbraw/zinc/67/49/94/1317674994.db2.gz QQZWIEIWCMCNSE-OAQYLSRUSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278678403 1317675004 /nfs/dbraw/zinc/67/50/04/1317675004.db2.gz QQZWIEIWCMCNSE-OAQYLSRUSA-N 2 1 341.499 2.012 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001264102296 1322620326 /nfs/dbraw/zinc/62/03/26/1322620326.db2.gz PWLSFDPARBQLTC-MOPGFXCFSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001264102296 1322620330 /nfs/dbraw/zinc/62/03/30/1322620330.db2.gz PWLSFDPARBQLTC-MOPGFXCFSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001264102296 1322620333 /nfs/dbraw/zinc/62/03/33/1322620333.db2.gz PWLSFDPARBQLTC-MOPGFXCFSA-N 2 1 327.472 2.085 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001264102296 1322620337 /nfs/dbraw/zinc/62/03/37/1322620337.db2.gz PWLSFDPARBQLTC-MOPGFXCFSA-N 2 1 327.472 2.085 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755125 1322810011 /nfs/dbraw/zinc/81/00/11/1322810011.db2.gz ISAKQCPUGLIXQC-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755124 1322810484 /nfs/dbraw/zinc/81/04/84/1322810484.db2.gz ISAKQCPUGLIXQC-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790678 1323383101 /nfs/dbraw/zinc/38/31/01/1323383101.db2.gz QHXYYRJXBLUGTK-YJBOKZPZSA-N 2 1 347.890 2.270 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001279329347 1323876217 /nfs/dbraw/zinc/87/62/17/1323876217.db2.gz SYPKSGCBLXPJLB-UHFFFAOYSA-N 2 1 345.462 2.096 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001282858491 1325808948 /nfs/dbraw/zinc/80/89/48/1325808948.db2.gz KMXFPWQFAGIQER-LUKYLMHMSA-N 2 1 330.476 2.267 10 30 EEEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001282858491 1325808951 /nfs/dbraw/zinc/80/89/51/1325808951.db2.gz KMXFPWQFAGIQER-LUKYLMHMSA-N 2 1 330.476 2.267 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229371 1326467345 /nfs/dbraw/zinc/46/73/45/1326467345.db2.gz YIXADKHJWUCNNK-PMACEKPBSA-N 2 1 341.499 2.254 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491896887 1330294566 /nfs/dbraw/zinc/29/45/66/1330294566.db2.gz QKBMGKUYHKVIMP-RTBURBONSA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491896887 1330294567 /nfs/dbraw/zinc/29/45/67/1330294567.db2.gz QKBMGKUYHKVIMP-RTBURBONSA-N 2 1 327.472 2.159 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001492026792 1330452185 /nfs/dbraw/zinc/45/21/85/1330452185.db2.gz AHAMQQDOZUXJCY-AYOQOUSVSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492177433 1331056425 /nfs/dbraw/zinc/05/64/25/1331056425.db2.gz GRCZKJTXDMTOOH-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001316741178 1331477815 /nfs/dbraw/zinc/47/78/15/1331477815.db2.gz IHKHXZGNEDGJLP-RBUKOAKNSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001316741178 1331477818 /nfs/dbraw/zinc/47/78/18/1331477818.db2.gz IHKHXZGNEDGJLP-RBUKOAKNSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1CC ZINC001316741178 1331477820 /nfs/dbraw/zinc/47/78/20/1331477820.db2.gz IHKHXZGNEDGJLP-RBUKOAKNSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1CC ZINC001316741178 1331477823 /nfs/dbraw/zinc/47/78/23/1331477823.db2.gz IHKHXZGNEDGJLP-RBUKOAKNSA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873969 1331943597 /nfs/dbraw/zinc/94/35/97/1331943597.db2.gz IVGRJHYCWTXKQH-PBHICJAKSA-N 2 1 334.464 2.285 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317087642 1332074239 /nfs/dbraw/zinc/07/42/39/1332074239.db2.gz OBPUHHXOZCFNFQ-XLNGHYISSA-N 2 1 330.476 2.345 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317676940 1332365902 /nfs/dbraw/zinc/36/59/02/1332365902.db2.gz SBTOEGLBDJCVLP-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769856 1332403122 /nfs/dbraw/zinc/40/31/22/1332403122.db2.gz LVPDXVNRJKRHCB-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800153 1332413538 /nfs/dbraw/zinc/41/35/38/1332413538.db2.gz GGMDQTCFRUHJRF-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800153 1332413539 /nfs/dbraw/zinc/41/35/39/1332413539.db2.gz GGMDQTCFRUHJRF-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001318712730 1332582235 /nfs/dbraw/zinc/58/22/35/1332582235.db2.gz IUWQPVPTABAUCR-ZWKOTPCHSA-N 2 1 325.472 2.259 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414967 1332878437 /nfs/dbraw/zinc/87/84/37/1332878437.db2.gz NMSQTJYHQFQLGW-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)c1ccc2ccccc2c1 ZINC001324452797 1333687213 /nfs/dbraw/zinc/68/72/13/1333687213.db2.gz XQSXUUQURVOANL-HXUWFJFHSA-N 2 1 346.434 2.425 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001326525450 1334109911 /nfs/dbraw/zinc/10/99/11/1334109911.db2.gz NVTJAYQYYWDQDL-FHWLQOOXSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328082411 1334392372 /nfs/dbraw/zinc/39/23/72/1334392372.db2.gz OYWMUGVQIPBTQW-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328082411 1334392374 /nfs/dbraw/zinc/39/23/74/1334392374.db2.gz OYWMUGVQIPBTQW-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328082411 1334392375 /nfs/dbraw/zinc/39/23/75/1334392375.db2.gz OYWMUGVQIPBTQW-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001332031677 1335710573 /nfs/dbraw/zinc/71/05/73/1335710573.db2.gz YPHOYRUFCABICE-GJZGRUSLSA-N 2 1 332.448 2.039 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001351862214 1337857695 /nfs/dbraw/zinc/85/76/95/1337857695.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001351862214 1337857697 /nfs/dbraw/zinc/85/76/97/1337857697.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001351862214 1337857700 /nfs/dbraw/zinc/85/77/00/1337857700.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 2 1 346.523 2.192 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176901 1343024070 /nfs/dbraw/zinc/02/40/70/1343024070.db2.gz ARINHFLNOSHXAR-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176901 1343024076 /nfs/dbraw/zinc/02/40/76/1343024076.db2.gz ARINHFLNOSHXAR-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157037 /nfs/dbraw/zinc/15/70/37/1343157037.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 2 1 333.520 2.158 10 30 EEEEMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157044 /nfs/dbraw/zinc/15/70/44/1343157044.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 2 1 333.520 2.158 10 30 EEEEMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157047 /nfs/dbraw/zinc/15/70/47/1343157047.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 2 1 333.520 2.158 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661679030 1354671310 /nfs/dbraw/zinc/67/13/10/1354671310.db2.gz ZMVBXTGGKVAPQG-HDICACEKSA-N 2 1 347.890 2.270 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001664392138 1355152894 /nfs/dbraw/zinc/15/28/94/1355152894.db2.gz YLMSVRSDDNXHAO-GASCZTMLSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001664457974 1355169390 /nfs/dbraw/zinc/16/93/90/1355169390.db2.gz XQBZQFAXEPGXAK-SFHVURJKSA-N 2 1 341.499 2.011 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831157 1355238255 /nfs/dbraw/zinc/23/82/55/1355238255.db2.gz ZSTDBYDEWCRULF-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831157 1355238258 /nfs/dbraw/zinc/23/82/58/1355238258.db2.gz ZSTDBYDEWCRULF-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)C(C)C ZINC001665702007 1355364125 /nfs/dbraw/zinc/36/41/25/1355364125.db2.gz ULYOFMJEHLLNNZ-QZTJIDSGSA-N 2 1 336.524 2.421 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897609 1355611615 /nfs/dbraw/zinc/61/16/15/1355611615.db2.gz HBUHPIYIRYIPQO-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001667751233 1355806638 /nfs/dbraw/zinc/80/66/38/1355806638.db2.gz IMNOWBIRPJIVAK-DOTOQJQBSA-N 2 1 346.475 2.335 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001673483164 1356694887 /nfs/dbraw/zinc/69/48/87/1356694887.db2.gz MBMLZUIAGWYUDI-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CCC[NH+](C)CC(=O)N(C)CCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001673483164 1356694890 /nfs/dbraw/zinc/69/48/90/1356694890.db2.gz MBMLZUIAGWYUDI-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CCC[NH+](C)CC(=O)N(C)CCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001673483164 1356694893 /nfs/dbraw/zinc/69/48/93/1356694893.db2.gz MBMLZUIAGWYUDI-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674499972 1356848957 /nfs/dbraw/zinc/84/89/57/1356848957.db2.gz TZWQYBBAGYFQIV-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674499972 1356848961 /nfs/dbraw/zinc/84/89/61/1356848961.db2.gz TZWQYBBAGYFQIV-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674944342 1356914961 /nfs/dbraw/zinc/91/49/61/1356914961.db2.gz WCQYNLFQFSPJPX-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674944342 1356914962 /nfs/dbraw/zinc/91/49/62/1356914962.db2.gz WCQYNLFQFSPJPX-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674944342 1356914966 /nfs/dbraw/zinc/91/49/66/1356914966.db2.gz WCQYNLFQFSPJPX-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674944342 1356914970 /nfs/dbraw/zinc/91/49/70/1356914970.db2.gz WCQYNLFQFSPJPX-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1C ZINC001675915747 1357068931 /nfs/dbraw/zinc/06/89/31/1357068931.db2.gz PHZJZBKUARGIEW-QUCCMNQESA-N 2 1 341.499 2.467 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1C ZINC001675915747 1357068936 /nfs/dbraw/zinc/06/89/36/1357068936.db2.gz PHZJZBKUARGIEW-QUCCMNQESA-N 2 1 341.499 2.467 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCCn1cc[nH+]c1C ZINC001690913705 1404942081 /nfs/dbraw/zinc/94/20/81/1404942081.db2.gz SHVZJXBIWQAOQB-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCCn1cc[nH+]c1C ZINC001690913705 1404942087 /nfs/dbraw/zinc/94/20/87/1404942087.db2.gz SHVZJXBIWQAOQB-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691864360 1404952542 /nfs/dbraw/zinc/95/25/42/1404952542.db2.gz KHSVQDCEXGCQFG-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691864360 1404952547 /nfs/dbraw/zinc/95/25/47/1404952547.db2.gz KHSVQDCEXGCQFG-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621852 1405012974 /nfs/dbraw/zinc/01/29/74/1405012974.db2.gz ZGGFRDFSSFSEOF-HKUYNNGSSA-N 2 1 345.462 2.003 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797018 1405489180 /nfs/dbraw/zinc/48/91/80/1405489180.db2.gz SASHRBWYBZJILB-LPHOPBHVSA-N 2 1 337.483 2.097 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001437310224 1089467686 /nfs/dbraw/zinc/46/76/86/1089467686.db2.gz JKPGPROMNOQAHN-PBHICJAKSA-N 2 1 345.890 2.390 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445558560 1091333581 /nfs/dbraw/zinc/33/35/81/1091333581.db2.gz GHHPNQZKVXGWMC-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688801 1093751493 /nfs/dbraw/zinc/75/14/93/1093751493.db2.gz ZYDDXMQPCZDISM-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001441505558 1095190987 /nfs/dbraw/zinc/19/09/87/1095190987.db2.gz CIEHBMCRUNEPAT-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001479979824 1099433790 /nfs/dbraw/zinc/43/37/90/1099433790.db2.gz AXZBYIWMGNTYMR-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458393 1100262566 /nfs/dbraw/zinc/26/25/66/1100262566.db2.gz DDRUYBCSUBSFFN-KSSFIOAISA-N 2 1 346.450 2.164 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCC1 ZINC001496326173 1100921204 /nfs/dbraw/zinc/92/12/04/1100921204.db2.gz LSDSIEOLZGRPNB-ICSRJNTNSA-N 2 1 331.504 2.150 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001496504172 1101101370 /nfs/dbraw/zinc/10/13/70/1101101370.db2.gz CHHMUGMHZAOIKK-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001496504172 1101101376 /nfs/dbraw/zinc/10/13/76/1101101376.db2.gz CHHMUGMHZAOIKK-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001496504172 1101101382 /nfs/dbraw/zinc/10/13/82/1101101382.db2.gz CHHMUGMHZAOIKK-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1C#N ZINC001495732957 1101499476 /nfs/dbraw/zinc/49/94/76/1101499476.db2.gz ZVEMGRMWGDOGGN-ULQDDVLXSA-N 2 1 342.487 2.130 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001497681969 1102893652 /nfs/dbraw/zinc/89/36/52/1102893652.db2.gz XHPURNHXNJKSAU-RWGIFROESA-N 2 1 330.476 2.371 10 30 EEEEMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001494792085 1104374860 /nfs/dbraw/zinc/37/48/60/1104374860.db2.gz AOIUQJTYYVVDDK-HXUWFJFHSA-N 2 1 339.483 2.105 10 30 EEEEMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001494792085 1104374871 /nfs/dbraw/zinc/37/48/71/1104374871.db2.gz AOIUQJTYYVVDDK-HXUWFJFHSA-N 2 1 339.483 2.105 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368698 1107401882 /nfs/dbraw/zinc/40/18/82/1107401882.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368698 1107401887 /nfs/dbraw/zinc/40/18/87/1107401887.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368698 1107401896 /nfs/dbraw/zinc/40/18/96/1107401896.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 2 1 342.487 2.225 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498561037 1107723468 /nfs/dbraw/zinc/72/34/68/1107723468.db2.gz XWPJZCHJEDXZQR-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001479453972 1110697349 /nfs/dbraw/zinc/69/73/49/1110697349.db2.gz JMVKLERMDVTFCQ-CMZLPQLFSA-N 2 1 331.504 2.315 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001479453972 1110697351 /nfs/dbraw/zinc/69/73/51/1110697351.db2.gz JMVKLERMDVTFCQ-CMZLPQLFSA-N 2 1 331.504 2.315 10 30 EEEEMP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001506544299 1114687656 /nfs/dbraw/zinc/68/76/56/1114687656.db2.gz TXDDZCDVGFUKGN-YOEHRIQHSA-N 2 1 348.516 2.479 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001508241146 1115458078 /nfs/dbraw/zinc/45/80/78/1115458078.db2.gz FMSUYKXQDUGKJT-INIZCTEOSA-N 2 1 333.451 2.449 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568998194 1125031130 /nfs/dbraw/zinc/03/11/30/1125031130.db2.gz WORBVPVPPKXGKD-QAPCUYQASA-N 2 1 347.890 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568998194 1125031137 /nfs/dbraw/zinc/03/11/37/1125031137.db2.gz WORBVPVPPKXGKD-QAPCUYQASA-N 2 1 347.890 2.074 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001565876666 1125448364 /nfs/dbraw/zinc/44/83/64/1125448364.db2.gz MNPFTEHZYXESHD-MXVIHJGJSA-N 2 1 341.499 2.254 10 30 EEEEMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131479012 529866980 /nfs/dbraw/zinc/86/69/80/529866980.db2.gz DIQBOPJCJQQSDJ-GOSISDBHSA-N 2 1 334.508 2.337 10 30 EEEEMP C=CCNC(N[C@H](C)c1ccccc1)=[NH+]C[C@@H]1CC[N@H+](CCOC)C1 ZINC000075583134 462734386 /nfs/dbraw/zinc/73/43/86/462734386.db2.gz IGCZZKBJBISPNJ-MSOLQXFVSA-N 2 1 344.503 2.437 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000174769913 464449530 /nfs/dbraw/zinc/44/95/30/464449530.db2.gz MWVJKBCSQYGNOA-ZWKOTPCHSA-N 2 1 334.508 2.295 10 30 EEEEMP C[NH+](C)CCNC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000345190821 465841052 /nfs/dbraw/zinc/84/10/52/465841052.db2.gz RHCPSFOSAXRPQR-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366795204 465938663 /nfs/dbraw/zinc/93/86/63/465938663.db2.gz NBDZIBBFRFRBAE-MOPGFXCFSA-N 2 1 343.446 2.032 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366795204 465938672 /nfs/dbraw/zinc/93/86/72/465938672.db2.gz NBDZIBBFRFRBAE-MOPGFXCFSA-N 2 1 343.446 2.032 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H]2CCC[C@H]21 ZINC000586789964 469067445 /nfs/dbraw/zinc/06/74/45/469067445.db2.gz VBUVVALOJFZADZ-CEXWTWQISA-N 2 1 339.487 2.384 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C#N)nnc2ccccc21 ZINC000596361052 469250501 /nfs/dbraw/zinc/25/05/01/469250501.db2.gz OVBKPAZFRQJHBQ-AWEZNQCLSA-N 2 1 326.448 2.185 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C#N)nnc2ccccc21 ZINC000596361052 469250503 /nfs/dbraw/zinc/25/05/03/469250503.db2.gz OVBKPAZFRQJHBQ-AWEZNQCLSA-N 2 1 326.448 2.185 10 30 EEEEMP C=C(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000664898997 471891669 /nfs/dbraw/zinc/89/16/69/471891669.db2.gz MQUXOECOSKSCFQ-KRWDZBQOSA-N 2 1 332.492 2.271 10 30 EEEEMP C=C(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000664898997 471891672 /nfs/dbraw/zinc/89/16/72/471891672.db2.gz MQUXOECOSKSCFQ-KRWDZBQOSA-N 2 1 332.492 2.271 10 30 EEEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304649865 687011095 /nfs/dbraw/zinc/01/10/95/687011095.db2.gz GHWHQMRTTGQBCT-INIZCTEOSA-N 2 1 330.476 2.403 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891386 1177725232 /nfs/dbraw/zinc/72/52/32/1177725232.db2.gz OWWUOUWPVYHQOV-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001267132113 1178302577 /nfs/dbraw/zinc/30/25/77/1178302577.db2.gz LGNGKYWNNHYPMQ-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001267132113 1178302585 /nfs/dbraw/zinc/30/25/85/1178302585.db2.gz LGNGKYWNNHYPMQ-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CCC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001267284324 1178678987 /nfs/dbraw/zinc/67/89/87/1178678987.db2.gz CXEYSAIGENIYEU-UHFFFAOYSA-N 2 1 326.444 2.496 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)(C)C)CC1 ZINC001267716598 1180264059 /nfs/dbraw/zinc/26/40/59/1180264059.db2.gz MPQJGPSFBOCQPM-OALUTQOASA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCCC1 ZINC001481240926 1180406233 /nfs/dbraw/zinc/40/62/33/1180406233.db2.gz DDGJBECDRNOMGA-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCCC1 ZINC001481240926 1180406235 /nfs/dbraw/zinc/40/62/35/1180406235.db2.gz DDGJBECDRNOMGA-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267777888 1180512706 /nfs/dbraw/zinc/51/27/06/1180512706.db2.gz UVZFQQBQNLJBRM-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001267777888 1180512711 /nfs/dbraw/zinc/51/27/11/1180512711.db2.gz UVZFQQBQNLJBRM-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267777888 1180512719 /nfs/dbraw/zinc/51/27/19/1180512719.db2.gz UVZFQQBQNLJBRM-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267777888 1180512724 /nfs/dbraw/zinc/51/27/24/1180512724.db2.gz UVZFQQBQNLJBRM-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481335187 1181059069 /nfs/dbraw/zinc/05/90/69/1181059069.db2.gz RVAVEKCZBJCHRL-SQWLQELKSA-N 2 1 327.900 2.296 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC/C=C/CC)C2)CC1 ZINC001268044533 1181502130 /nfs/dbraw/zinc/50/21/30/1181502130.db2.gz FSUNDTJSWAQBLF-UEKDZROGSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC/C=C/CC)C2)CC1 ZINC001268044533 1181502135 /nfs/dbraw/zinc/50/21/35/1181502135.db2.gz FSUNDTJSWAQBLF-UEKDZROGSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001481510346 1181599536 /nfs/dbraw/zinc/59/95/36/1181599536.db2.gz UUWIXTUEUVQMPS-QZTJIDSGSA-N 2 1 333.520 2.158 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC2CCCC2)CC1 ZINC001268260653 1182092148 /nfs/dbraw/zinc/09/21/48/1182092148.db2.gz XIWKCYHMCQYAKD-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824206 1182745185 /nfs/dbraw/zinc/74/51/85/1182745185.db2.gz QMBXVUVFDJLEGV-RTBURBONSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981593 1183075765 /nfs/dbraw/zinc/07/57/65/1183075765.db2.gz SZJXWYNZFXVGBF-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001481979261 1183080658 /nfs/dbraw/zinc/08/06/58/1183080658.db2.gz ZLKIOTUFUDUJJG-IAGOWNOFSA-N 2 1 330.476 2.248 10 30 EEEEMP C[C@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268736164 1183657583 /nfs/dbraw/zinc/65/75/83/1183657583.db2.gz QNRBXWWNHIXGDO-VQIMIIECSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759839 1183674998 /nfs/dbraw/zinc/67/49/98/1183674998.db2.gz OZVURCWZXVHWAU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759839 1183675003 /nfs/dbraw/zinc/67/50/03/1183675003.db2.gz OZVURCWZXVHWAU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001268759839 1183675006 /nfs/dbraw/zinc/67/50/06/1183675006.db2.gz OZVURCWZXVHWAU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001268759839 1183675011 /nfs/dbraw/zinc/67/50/11/1183675011.db2.gz OZVURCWZXVHWAU-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001269570232 1184399566 /nfs/dbraw/zinc/39/95/66/1184399566.db2.gz GADKOILGMYRHGP-XVLXNVKGSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270642668 1185260687 /nfs/dbraw/zinc/26/06/87/1185260687.db2.gz NYTOCVCFUGGZSD-FQEVSTJZSA-N 2 1 345.487 2.145 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001691805203 1188298563 /nfs/dbraw/zinc/29/85/63/1188298563.db2.gz PMAIOBJYTNTAMV-UHFFFAOYSA-N 2 1 348.516 2.178 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]21 ZINC001272223728 1188379652 /nfs/dbraw/zinc/37/96/52/1188379652.db2.gz JABQHNZVDNCTOG-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001483137071 1188692120 /nfs/dbraw/zinc/69/21/20/1188692120.db2.gz JZZAHYGRNGUGLC-RKVPGOIHSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001483137071 1188692124 /nfs/dbraw/zinc/69/21/24/1188692124.db2.gz JZZAHYGRNGUGLC-RKVPGOIHSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884895 1193629617 /nfs/dbraw/zinc/62/96/17/1193629617.db2.gz DQLLGUIPQSZDSJ-QUCCMNQESA-N 2 1 341.499 2.072 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884895 1193629619 /nfs/dbraw/zinc/62/96/19/1193629619.db2.gz DQLLGUIPQSZDSJ-QUCCMNQESA-N 2 1 341.499 2.072 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001483841959 1191093319 /nfs/dbraw/zinc/09/33/19/1191093319.db2.gz LEQGTRGZAXRYED-ICSRJNTNSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001483841959 1191093323 /nfs/dbraw/zinc/09/33/23/1191093323.db2.gz LEQGTRGZAXRYED-ICSRJNTNSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCCF)C2)C1 ZINC001483841959 1191093326 /nfs/dbraw/zinc/09/33/26/1191093326.db2.gz LEQGTRGZAXRYED-ICSRJNTNSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCCF)C2)C1 ZINC001483841959 1191093330 /nfs/dbraw/zinc/09/33/30/1191093330.db2.gz LEQGTRGZAXRYED-ICSRJNTNSA-N 2 1 349.494 2.148 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002995 1191151905 /nfs/dbraw/zinc/15/19/05/1191151905.db2.gz ZNIQENFJVKJZLR-FVQBIDKESA-N 2 1 327.900 2.344 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385414 1191326036 /nfs/dbraw/zinc/32/60/36/1191326036.db2.gz ZGIJWKZNZZNNIN-QFBILLFUSA-N 2 1 342.487 2.083 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001484923321 1191576490 /nfs/dbraw/zinc/57/64/90/1191576490.db2.gz MHTFIUDJFGDUKV-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCCCC)CC1 ZINC001485080971 1191650210 /nfs/dbraw/zinc/65/02/10/1191650210.db2.gz YUVXNRKPLLXUBI-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485155648 1191668338 /nfs/dbraw/zinc/66/83/38/1191668338.db2.gz CLRKBDSSFXOYLV-KGLIPLIRSA-N 2 1 346.450 2.164 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246887 1193773330 /nfs/dbraw/zinc/77/33/30/1193773330.db2.gz ULZHRCNNDUIVRV-MRXNPFEDSA-N 2 1 348.516 2.288 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001273286758 1197958410 /nfs/dbraw/zinc/95/84/10/1197958410.db2.gz WYEHEVXPQMDGRL-QGZVFWFLSA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001273308548 1198014536 /nfs/dbraw/zinc/01/45/36/1198014536.db2.gz LTCNKIFTCCRANX-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021487 1201349983 /nfs/dbraw/zinc/34/99/83/1201349983.db2.gz BWHKZAUCEHQXSI-QKNQBKEWSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021487 1201349985 /nfs/dbraw/zinc/34/99/85/1201349985.db2.gz BWHKZAUCEHQXSI-QKNQBKEWSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021487 1201349988 /nfs/dbraw/zinc/34/99/88/1201349988.db2.gz BWHKZAUCEHQXSI-QKNQBKEWSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021487 1201349992 /nfs/dbraw/zinc/34/99/92/1201349992.db2.gz BWHKZAUCEHQXSI-QKNQBKEWSA-N 2 1 339.483 2.227 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185461 1205277641 /nfs/dbraw/zinc/27/76/41/1205277641.db2.gz YJSXFLSZWURLLW-UXHICEINSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccsc2)CC1 ZINC001275729012 1205501389 /nfs/dbraw/zinc/50/13/89/1205501389.db2.gz JBNLIWGXDJNJOS-OAHLLOKOSA-N 2 1 333.501 2.030 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(=C)Cl)C(C)C ZINC001276122617 1205785256 /nfs/dbraw/zinc/78/52/56/1205785256.db2.gz HJZXYRNCOOZLOE-IRXDYDNUSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(=C)Cl)C(C)C ZINC001276122617 1205785257 /nfs/dbraw/zinc/78/52/57/1205785257.db2.gz HJZXYRNCOOZLOE-IRXDYDNUSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001265340400 1323086322 /nfs/dbraw/zinc/08/63/22/1323086322.db2.gz QDYMRYDGDVINTI-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852221 1323427374 /nfs/dbraw/zinc/42/73/74/1323427374.db2.gz XVFHXWCQOYTMMT-JKSUJKDBSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266009119 1323561810 /nfs/dbraw/zinc/56/18/10/1323561810.db2.gz NOJYLVLXABTXFZ-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107652 1323673329 /nfs/dbraw/zinc/67/33/29/1323673329.db2.gz HCRFFTCHQLOJIX-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107652 1323673333 /nfs/dbraw/zinc/67/33/33/1323673333.db2.gz HCRFFTCHQLOJIX-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001279273881 1323861753 /nfs/dbraw/zinc/86/17/53/1323861753.db2.gz WHEDZVAVPQEQGQ-FHWLQOOXSA-N 2 1 333.520 2.254 10 30 EEEEMP CC#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001283433741 1326067928 /nfs/dbraw/zinc/06/79/28/1326067928.db2.gz IKBHYWRVGXGMOW-RBUKOAKNSA-N 2 1 327.472 2.331 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001284323308 1326504218 /nfs/dbraw/zinc/50/42/18/1326504218.db2.gz MBLABOAREBCBOK-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492164675 1331029633 /nfs/dbraw/zinc/02/96/33/1331029633.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164675 1331029636 /nfs/dbraw/zinc/02/96/36/1331029636.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164675 1331029639 /nfs/dbraw/zinc/02/96/39/1331029639.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317066290 1332067363 /nfs/dbraw/zinc/06/73/63/1332067363.db2.gz LFFMWVVDTSDUGW-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099291 1332078501 /nfs/dbraw/zinc/07/85/01/1332078501.db2.gz AGZNWSCESWJHQF-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001317556398 1332296779 /nfs/dbraw/zinc/29/67/79/1332296779.db2.gz DRNSVCXIOMBZQE-IBGZPJMESA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001317556398 1332296781 /nfs/dbraw/zinc/29/67/81/1332296781.db2.gz DRNSVCXIOMBZQE-IBGZPJMESA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(CC)CC)C1 ZINC001317841028 1332427927 /nfs/dbraw/zinc/42/79/27/1332427927.db2.gz ZKVJALGLSYYLKS-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(CC)CC)C1 ZINC001317841028 1332427928 /nfs/dbraw/zinc/42/79/28/1332427928.db2.gz ZKVJALGLSYYLKS-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(CC)CC)C1 ZINC001317841028 1332427929 /nfs/dbraw/zinc/42/79/29/1332427929.db2.gz ZKVJALGLSYYLKS-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(CC)CC)C1 ZINC001317841028 1332427931 /nfs/dbraw/zinc/42/79/31/1332427931.db2.gz ZKVJALGLSYYLKS-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001319020684 1332638304 /nfs/dbraw/zinc/63/83/04/1332638304.db2.gz IEPXAOLMRTZIAH-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001319020684 1332638309 /nfs/dbraw/zinc/63/83/09/1332638309.db2.gz IEPXAOLMRTZIAH-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320826173 1332960763 /nfs/dbraw/zinc/96/07/63/1332960763.db2.gz BVZRVXQJVMQJPL-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001321098462 1333019852 /nfs/dbraw/zinc/01/98/52/1333019852.db2.gz WQBZULVYIZIUIV-FAAWYNLUSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816355 1333546508 /nfs/dbraw/zinc/54/65/08/1333546508.db2.gz OYIZHNPNUZLGBC-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001324160570 1333620979 /nfs/dbraw/zinc/62/09/79/1333620979.db2.gz AQMSWECUBQJLQM-QAPCUYQASA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001324160570 1333620985 /nfs/dbraw/zinc/62/09/85/1333620985.db2.gz AQMSWECUBQJLQM-QAPCUYQASA-N 2 1 345.491 2.337 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001324377365 1333669612 /nfs/dbraw/zinc/66/96/12/1333669612.db2.gz OPQLRCRJYZVEIS-SFHVURJKSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001324742028 1333750664 /nfs/dbraw/zinc/75/06/64/1333750664.db2.gz PPZCLLXNZXYVJS-DDRDIHNTSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001324742028 1333750666 /nfs/dbraw/zinc/75/06/66/1333750666.db2.gz PPZCLLXNZXYVJS-DDRDIHNTSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960927 1333797601 /nfs/dbraw/zinc/79/76/01/1333797601.db2.gz LBIHNAQDKSFRMK-QUCCMNQESA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324960927 1333797602 /nfs/dbraw/zinc/79/76/02/1333797602.db2.gz LBIHNAQDKSFRMK-QUCCMNQESA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001324960927 1333797607 /nfs/dbraw/zinc/79/76/07/1333797607.db2.gz LBIHNAQDKSFRMK-QUCCMNQESA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325054767 1333820094 /nfs/dbraw/zinc/82/00/94/1333820094.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325054767 1333820098 /nfs/dbraw/zinc/82/00/98/1333820098.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325054767 1333820101 /nfs/dbraw/zinc/82/01/01/1333820101.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001325703047 1333943840 /nfs/dbraw/zinc/94/38/40/1333943840.db2.gz VRBZXSFYTQWTOW-VQTJNVASSA-N 2 1 339.483 2.255 10 30 EEEEMP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328129796 1334402370 /nfs/dbraw/zinc/40/23/70/1334402370.db2.gz YDTAXLWVYNLVDZ-LJQANCHMSA-N 2 1 341.499 2.417 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021433 1335949213 /nfs/dbraw/zinc/94/92/13/1335949213.db2.gz OWCFVDLFKBRMKI-LSDHHAIUSA-N 2 1 347.425 2.416 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849352 1337652713 /nfs/dbraw/zinc/65/27/13/1337652713.db2.gz LSQHDCIMMYDQSC-SFHVURJKSA-N 2 1 346.519 2.134 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849352 1337652715 /nfs/dbraw/zinc/65/27/15/1337652715.db2.gz LSQHDCIMMYDQSC-SFHVURJKSA-N 2 1 346.519 2.134 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566623226 1342582963 /nfs/dbraw/zinc/58/29/63/1342582963.db2.gz KEACEDRZXRNAKN-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566877895 1342645826 /nfs/dbraw/zinc/64/58/26/1342645826.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877895 1342645831 /nfs/dbraw/zinc/64/58/31/1342645831.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877895 1342645835 /nfs/dbraw/zinc/64/58/35/1342645835.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198447 1342710008 /nfs/dbraw/zinc/71/00/08/1342710008.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567198447 1342710010 /nfs/dbraw/zinc/71/00/10/1342710010.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567198447 1342710012 /nfs/dbraw/zinc/71/00/12/1342710012.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365135 1357141050 /nfs/dbraw/zinc/14/10/50/1357141050.db2.gz SQOVWZJIFGZXKF-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001656346180 1354224577 /nfs/dbraw/zinc/22/45/77/1354224577.db2.gz OIGHOFIGBVRPIA-JKSUJKDBSA-N 2 1 346.475 2.335 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235063 1354614279 /nfs/dbraw/zinc/61/42/79/1354614279.db2.gz DBXUFRCFSDFSSP-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001663537320 1354982663 /nfs/dbraw/zinc/98/26/63/1354982663.db2.gz MEVONVHWUTZGQY-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001663537320 1354982665 /nfs/dbraw/zinc/98/26/65/1354982665.db2.gz MEVONVHWUTZGQY-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001663537320 1354982667 /nfs/dbraw/zinc/98/26/67/1354982667.db2.gz MEVONVHWUTZGQY-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001665686318 1355358994 /nfs/dbraw/zinc/35/89/94/1355358994.db2.gz HRYAIBOBMVOAAE-LJQANCHMSA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001665686318 1355358996 /nfs/dbraw/zinc/35/89/96/1355358996.db2.gz HRYAIBOBMVOAAE-LJQANCHMSA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665686318 1355358999 /nfs/dbraw/zinc/35/89/99/1355358999.db2.gz HRYAIBOBMVOAAE-LJQANCHMSA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665686318 1355359005 /nfs/dbraw/zinc/35/90/05/1355359005.db2.gz HRYAIBOBMVOAAE-LJQANCHMSA-N 2 1 345.462 2.050 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726227 1355578289 /nfs/dbraw/zinc/57/82/89/1355578289.db2.gz ZUBVSBGLOXZUSC-IAGOWNOFSA-N 2 1 348.491 2.178 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726227 1355578293 /nfs/dbraw/zinc/57/82/93/1355578293.db2.gz ZUBVSBGLOXZUSC-IAGOWNOFSA-N 2 1 348.491 2.178 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001666767439 1355587276 /nfs/dbraw/zinc/58/72/76/1355587276.db2.gz GISDBKIJTKKSCY-IBGZPJMESA-N 2 1 339.483 2.303 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001666767439 1355587281 /nfs/dbraw/zinc/58/72/81/1355587281.db2.gz GISDBKIJTKKSCY-IBGZPJMESA-N 2 1 339.483 2.303 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001667257346 1355690463 /nfs/dbraw/zinc/69/04/63/1355690463.db2.gz GTHRLYVXVAUCCI-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001668426371 1355939019 /nfs/dbraw/zinc/93/90/19/1355939019.db2.gz HYKRYYJUMWSQSD-AWEZNQCLSA-N 2 1 346.313 2.206 10 30 EEEEMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001672538399 1356550449 /nfs/dbraw/zinc/55/04/49/1356550449.db2.gz QAROVMOWFPYVEK-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001672538399 1356550451 /nfs/dbraw/zinc/55/04/51/1356550451.db2.gz QAROVMOWFPYVEK-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538399 1356550453 /nfs/dbraw/zinc/55/04/53/1356550453.db2.gz QAROVMOWFPYVEK-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538399 1356550455 /nfs/dbraw/zinc/55/04/55/1356550455.db2.gz QAROVMOWFPYVEK-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943309 1356913829 /nfs/dbraw/zinc/91/38/29/1356913829.db2.gz KDJXOXYSZUTQGR-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943309 1356913831 /nfs/dbraw/zinc/91/38/31/1356913831.db2.gz KDJXOXYSZUTQGR-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001674943309 1356913835 /nfs/dbraw/zinc/91/38/35/1356913835.db2.gz KDJXOXYSZUTQGR-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674943309 1356913836 /nfs/dbraw/zinc/91/38/36/1356913836.db2.gz KDJXOXYSZUTQGR-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001675421892 1356976709 /nfs/dbraw/zinc/97/67/09/1356976709.db2.gz COMCOFZUMZAKAY-ICSRJNTNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421892 1356976712 /nfs/dbraw/zinc/97/67/12/1356976712.db2.gz COMCOFZUMZAKAY-ICSRJNTNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421892 1356976715 /nfs/dbraw/zinc/97/67/15/1356976715.db2.gz COMCOFZUMZAKAY-ICSRJNTNSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017455 1405232490 /nfs/dbraw/zinc/23/24/90/1405232490.db2.gz BNTUGMHFPVZOEU-HOCLYGCPSA-N 2 1 334.464 2.191 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699943374 1405592647 /nfs/dbraw/zinc/59/26/47/1405592647.db2.gz HNCUFOQBIOMGNY-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237519 780225867 /nfs/dbraw/zinc/22/58/67/780225867.db2.gz OEJWYSPURKOFME-LJQANCHMSA-N 2 1 345.531 2.348 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923429863 789530376 /nfs/dbraw/zinc/53/03/76/789530376.db2.gz BLFMMUZDTOZHDP-KBAYOESNSA-N 2 1 348.487 2.080 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001565974600 1125479763 /nfs/dbraw/zinc/47/97/63/1125479763.db2.gz OPHPAHFBGSLNBV-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001566126941 1125576340 /nfs/dbraw/zinc/57/63/40/1125576340.db2.gz GDEUPCVMEGYFRS-CQSZACIVSA-N 2 1 348.516 2.035 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001437311880 1089470763 /nfs/dbraw/zinc/47/07/63/1089470763.db2.gz NEMMUTVRXTZLBJ-HOTGVXAUSA-N 2 1 327.900 2.440 10 30 EEEEMP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001438729083 1091266671 /nfs/dbraw/zinc/26/66/71/1091266671.db2.gz VCAKENSMTGUWCM-MOPGFXCFSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439121708 1091764773 /nfs/dbraw/zinc/76/47/73/1091764773.db2.gz KTWFMLZGVRCMNW-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441571197 1095340629 /nfs/dbraw/zinc/34/06/29/1095340629.db2.gz SEFGJTGUEJNYTO-IHRRRGAJSA-N 2 1 346.313 2.062 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001479724123 1098818609 /nfs/dbraw/zinc/81/86/09/1098818609.db2.gz GRQLHQMBIVZCJN-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001479724123 1098818624 /nfs/dbraw/zinc/81/86/24/1098818624.db2.gz GRQLHQMBIVZCJN-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001479724123 1098818637 /nfs/dbraw/zinc/81/86/37/1098818637.db2.gz GRQLHQMBIVZCJN-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001479724123 1098818657 /nfs/dbraw/zinc/81/86/57/1098818657.db2.gz GRQLHQMBIVZCJN-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001495470125 1101180900 /nfs/dbraw/zinc/18/09/00/1101180900.db2.gz KLLUZUQUMWWINV-ULQDDVLXSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861408 1101626607 /nfs/dbraw/zinc/62/66/07/1101626607.db2.gz STBDIHOCRWHRGP-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861408 1101626610 /nfs/dbraw/zinc/62/66/10/1101626610.db2.gz STBDIHOCRWHRGP-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861408 1101626616 /nfs/dbraw/zinc/62/66/16/1101626616.db2.gz STBDIHOCRWHRGP-HKUYNNGSSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001494082029 1103493202 /nfs/dbraw/zinc/49/32/02/1103493202.db2.gz CIKHFDFLDAEIKO-GOSISDBHSA-N 2 1 331.504 2.126 10 30 EEEEMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095960 1104735177 /nfs/dbraw/zinc/73/51/77/1104735177.db2.gz ZWVJLFMWEWEAQQ-NVXWUHKLSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001480666829 1106849676 /nfs/dbraw/zinc/84/96/76/1106849676.db2.gz YZPNAESTBRXFTR-INIZCTEOSA-N 2 1 346.475 2.288 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300715 1107247012 /nfs/dbraw/zinc/24/70/12/1107247012.db2.gz QZVIICQFVAYBFR-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300715 1107247019 /nfs/dbraw/zinc/24/70/19/1107247019.db2.gz QZVIICQFVAYBFR-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498300715 1107247025 /nfs/dbraw/zinc/24/70/25/1107247025.db2.gz QZVIICQFVAYBFR-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498300715 1107247031 /nfs/dbraw/zinc/24/70/31/1107247031.db2.gz QZVIICQFVAYBFR-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCN1CC#Cc1ccccc1 ZINC001498998707 1108435304 /nfs/dbraw/zinc/43/53/04/1108435304.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001500131890 1112631664 /nfs/dbraw/zinc/63/16/64/1112631664.db2.gz UWRUCMUIWYQOFE-RBUKOAKNSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001501699022 1113440367 /nfs/dbraw/zinc/44/03/67/1113440367.db2.gz XECLOJMDMOMIRT-LNLFQRSKSA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406772 1113671342 /nfs/dbraw/zinc/67/13/42/1113671342.db2.gz SDYRJVAGMCFMMW-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001503692504 1113899709 /nfs/dbraw/zinc/89/97/09/1113899709.db2.gz VTTDZGPIPROMOZ-IBGZPJMESA-N 2 1 327.472 2.374 10 30 EEEEMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001506720383 1114829243 /nfs/dbraw/zinc/82/92/43/1114829243.db2.gz HXQYLPSMUVWZTK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001506720383 1114829244 /nfs/dbraw/zinc/82/92/44/1114829244.db2.gz HXQYLPSMUVWZTK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001506720383 1114829249 /nfs/dbraw/zinc/82/92/49/1114829249.db2.gz HXQYLPSMUVWZTK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870756 1114941765 /nfs/dbraw/zinc/94/17/65/1114941765.db2.gz XKILTICKISOHSH-BGYRXZFFSA-N 2 1 331.504 2.056 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507027746 1115065564 /nfs/dbraw/zinc/06/55/64/1115065564.db2.gz LFCJLYSBWNXAOF-LPHOPBHVSA-N 2 1 337.483 2.049 10 30 EEEEMP C=CCC[NH+]1CCC(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001568128163 1124318594 /nfs/dbraw/zinc/31/85/94/1124318594.db2.gz ZDLIFFVECQTBIS-UHFFFAOYSA-N 2 1 334.464 2.144 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ccc1F ZINC001569211231 1125167846 /nfs/dbraw/zinc/16/78/46/1125167846.db2.gz SUXPSDNAVZACIH-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ccc1F ZINC001569211231 1125167848 /nfs/dbraw/zinc/16/78/48/1125167848.db2.gz SUXPSDNAVZACIH-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](C)[C@H]1CCCO1 ZINC000241287439 258001003 /nfs/dbraw/zinc/00/10/03/258001003.db2.gz LLFGCWIAQKMOAO-BZUAXINKSA-N 2 1 334.464 2.149 10 30 EEEEMP C[C@@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025384 463309982 /nfs/dbraw/zinc/30/99/82/463309982.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 1 328.460 2.348 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662391585 472094897 /nfs/dbraw/zinc/09/48/97/472094897.db2.gz CKXAUQOZGSABRQ-FQEVSTJZSA-N 2 1 327.472 2.419 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876313 527626160 /nfs/dbraw/zinc/62/61/60/527626160.db2.gz FUJKQEHEOUQDKO-MRXNPFEDSA-N 2 1 330.476 2.264 10 30 EEEEMP C#CCN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357200 683530064 /nfs/dbraw/zinc/53/00/64/683530064.db2.gz CAVOXIZUIGDPPR-FGTMMUONSA-N 2 1 348.535 2.092 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485722821 1191909834 /nfs/dbraw/zinc/90/98/34/1191909834.db2.gz QZUUAUHQYOGWKE-QWFCFKBJSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548081 /nfs/dbraw/zinc/54/80/81/1176548081.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548087 /nfs/dbraw/zinc/54/80/87/1176548087.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548099 /nfs/dbraw/zinc/54/80/99/1176548099.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548106 /nfs/dbraw/zinc/54/81/06/1176548106.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548120 /nfs/dbraw/zinc/54/81/20/1176548120.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266494579 1176635425 /nfs/dbraw/zinc/63/54/25/1176635425.db2.gz SPRCZXJHDBCKBJ-QRQLOZEOSA-N 2 1 342.487 2.395 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266494579 1176635432 /nfs/dbraw/zinc/63/54/32/1176635432.db2.gz SPRCZXJHDBCKBJ-QRQLOZEOSA-N 2 1 342.487 2.395 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001670523520 1176865006 /nfs/dbraw/zinc/86/50/06/1176865006.db2.gz ZTSQXBNNFSBFBV-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001268034898 1181367055 /nfs/dbraw/zinc/36/70/55/1181367055.db2.gz RFJAAXPDITWOFN-ABHNRTSZSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001268034898 1181367061 /nfs/dbraw/zinc/36/70/61/1181367061.db2.gz RFJAAXPDITWOFN-ABHNRTSZSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481583831 1181790435 /nfs/dbraw/zinc/79/04/35/1181790435.db2.gz LNVNJJXBGWMXCM-DBVUQKKJSA-N 2 1 341.499 2.487 10 30 EEEEMP C=C(C)C[NH2+][C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001268222444 1182032946 /nfs/dbraw/zinc/03/29/46/1182032946.db2.gz POLSEDMXPAKCFY-QGZVFWFLSA-N 2 1 327.432 2.187 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1csc(C)c1 ZINC001269417249 1184252506 /nfs/dbraw/zinc/25/25/06/1184252506.db2.gz FEBPNALDCKQAEA-SJORKVTESA-N 2 1 333.501 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1csc(C)c1 ZINC001269417249 1184252512 /nfs/dbraw/zinc/25/25/12/1184252512.db2.gz FEBPNALDCKQAEA-SJORKVTESA-N 2 1 333.501 2.139 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269935852 1184728653 /nfs/dbraw/zinc/72/86/53/1184728653.db2.gz YYIQJXPBUQJKCN-INIZCTEOSA-N 2 1 327.900 2.299 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001271445933 1186232376 /nfs/dbraw/zinc/23/23/76/1186232376.db2.gz IVNTVFCEBADNQF-FXAWDEMLSA-N 2 1 341.499 2.361 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001670854624 1187507862 /nfs/dbraw/zinc/50/78/62/1187507862.db2.gz GWPJZWJJPNPZLM-SFHVURJKSA-N 2 1 325.472 2.404 10 30 EEEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001670947537 1193531118 /nfs/dbraw/zinc/53/11/18/1193531118.db2.gz WXUKUFLGVHFEHW-XVLXNVKGSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001670947537 1193531121 /nfs/dbraw/zinc/53/11/21/1193531121.db2.gz WXUKUFLGVHFEHW-XVLXNVKGSA-N 2 1 349.519 2.175 10 30 EEEEMP N#Cc1ccccc1C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001483096499 1188470974 /nfs/dbraw/zinc/47/09/74/1188470974.db2.gz BZMRREAXIYHEEW-PLNGDYQASA-N 2 1 340.471 2.196 10 30 EEEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2Cl)C1 ZINC000783986292 1189026004 /nfs/dbraw/zinc/02/60/04/1189026004.db2.gz NBNUGJGJQHXNFF-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2Cl)C1 ZINC000783986292 1189026008 /nfs/dbraw/zinc/02/60/08/1189026008.db2.gz NBNUGJGJQHXNFF-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483849606 1191085995 /nfs/dbraw/zinc/08/59/95/1191085995.db2.gz YNYAJRFBKIFDIX-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483849606 1191085997 /nfs/dbraw/zinc/08/59/97/1191085997.db2.gz YNYAJRFBKIFDIX-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325402 /nfs/dbraw/zinc/32/54/02/1191325402.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 2 1 331.504 2.242 10 30 EEEEMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325404 /nfs/dbraw/zinc/32/54/04/1191325404.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 2 1 331.504 2.242 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325406 /nfs/dbraw/zinc/32/54/06/1191325406.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 2 1 331.504 2.242 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484554472 1191412792 /nfs/dbraw/zinc/41/27/92/1191412792.db2.gz WUSDFJNXEQFQAT-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001484554472 1191412795 /nfs/dbraw/zinc/41/27/95/1191412795.db2.gz WUSDFJNXEQFQAT-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001484554472 1191412798 /nfs/dbraw/zinc/41/27/98/1191412798.db2.gz WUSDFJNXEQFQAT-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485032858 1191625462 /nfs/dbraw/zinc/62/54/62/1191625462.db2.gz MCCSDMHKZNCJEF-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001486250340 1193776817 /nfs/dbraw/zinc/77/68/17/1193776817.db2.gz PRGLPKGJENFXIU-ROUUACIJSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1F ZINC001273428641 1198812391 /nfs/dbraw/zinc/81/23/91/1198812391.db2.gz WVILGEDGZFKCIM-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1F ZINC001273428641 1198812395 /nfs/dbraw/zinc/81/23/95/1198812395.db2.gz WVILGEDGZFKCIM-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565846 1201144942 /nfs/dbraw/zinc/14/49/42/1201144942.db2.gz QWIDZIWXPZWQPP-BDXSIMOUSA-N 2 1 336.570 2.360 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275054265 1205245642 /nfs/dbraw/zinc/24/56/42/1205245642.db2.gz LFFFKUXYXUJFLQ-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001275054265 1205245646 /nfs/dbraw/zinc/24/56/46/1205245646.db2.gz LFFFKUXYXUJFLQ-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001275849666 1205565051 /nfs/dbraw/zinc/56/50/51/1205565051.db2.gz HPURQRQWYVZQFF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001275849666 1205565053 /nfs/dbraw/zinc/56/50/53/1205565053.db2.gz HPURQRQWYVZQFF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001275849666 1205565054 /nfs/dbraw/zinc/56/50/54/1205565054.db2.gz HPURQRQWYVZQFF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001275849666 1205565055 /nfs/dbraw/zinc/56/50/55/1205565055.db2.gz HPURQRQWYVZQFF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628735 /nfs/dbraw/zinc/62/87/35/1205628735.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628736 /nfs/dbraw/zinc/62/87/36/1205628736.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628737 /nfs/dbraw/zinc/62/87/37/1205628737.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628738 /nfs/dbraw/zinc/62/87/38/1205628738.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628739 /nfs/dbraw/zinc/62/87/39/1205628739.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266786549 1276619856 /nfs/dbraw/zinc/61/98/56/1276619856.db2.gz KKHNLNLDBPRCEE-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266786549 1276619866 /nfs/dbraw/zinc/61/98/66/1276619866.db2.gz KKHNLNLDBPRCEE-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001489347677 1290532887 /nfs/dbraw/zinc/53/28/87/1290532887.db2.gz PGUSVEDNOUUVIE-QGZVFWFLSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001489347677 1290532894 /nfs/dbraw/zinc/53/28/94/1290532894.db2.gz PGUSVEDNOUUVIE-QGZVFWFLSA-N 2 1 330.476 2.212 10 30 EEEEMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931309303 1297131919 /nfs/dbraw/zinc/13/19/19/1297131919.db2.gz YLUNRMGOGLNVNI-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931309303 1297131923 /nfs/dbraw/zinc/13/19/23/1297131923.db2.gz YLUNRMGOGLNVNI-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931309303 1297131929 /nfs/dbraw/zinc/13/19/29/1297131929.db2.gz YLUNRMGOGLNVNI-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931309303 1297131935 /nfs/dbraw/zinc/13/19/35/1297131935.db2.gz YLUNRMGOGLNVNI-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000931309255 1297132077 /nfs/dbraw/zinc/13/20/77/1297132077.db2.gz XOFVJYDWDKOMPT-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000931309255 1297132081 /nfs/dbraw/zinc/13/20/81/1297132081.db2.gz XOFVJYDWDKOMPT-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000931309255 1297132086 /nfs/dbraw/zinc/13/20/86/1297132086.db2.gz XOFVJYDWDKOMPT-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000931309255 1297132090 /nfs/dbraw/zinc/13/20/90/1297132090.db2.gz XOFVJYDWDKOMPT-KDURUIRLSA-N 2 1 326.444 2.160 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC001277402941 1302889833 /nfs/dbraw/zinc/88/98/33/1302889833.db2.gz COFHLNRDBMRSMR-SFHVURJKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001277402941 1302889851 /nfs/dbraw/zinc/88/98/51/1302889851.db2.gz COFHLNRDBMRSMR-SFHVURJKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001277402941 1302889862 /nfs/dbraw/zinc/88/98/62/1302889862.db2.gz COFHLNRDBMRSMR-SFHVURJKSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001277402941 1302889873 /nfs/dbraw/zinc/88/98/73/1302889873.db2.gz COFHLNRDBMRSMR-SFHVURJKSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001277516937 1303812184 /nfs/dbraw/zinc/81/21/84/1303812184.db2.gz RFDLDQDHVRPZCA-FUHWJXTLSA-N 2 1 325.472 2.167 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001264125256 1322634988 /nfs/dbraw/zinc/63/49/88/1322634988.db2.gz GFICGELGJVTOJE-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308570 1323058425 /nfs/dbraw/zinc/05/84/25/1323058425.db2.gz VKLPIYSIMZGJQN-NVXWUHKLSA-N 2 1 339.443 2.426 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308570 1323058433 /nfs/dbraw/zinc/05/84/33/1323058433.db2.gz VKLPIYSIMZGJQN-NVXWUHKLSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265396966 1323126839 /nfs/dbraw/zinc/12/68/39/1323126839.db2.gz PATLAGAAZMVAQM-KRWDZBQOSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265396966 1323126843 /nfs/dbraw/zinc/12/68/43/1323126843.db2.gz PATLAGAAZMVAQM-KRWDZBQOSA-N 2 1 330.476 2.200 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786013 1323379885 /nfs/dbraw/zinc/37/98/85/1323379885.db2.gz KKBOQEWZJIYBCV-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813481 1323395181 /nfs/dbraw/zinc/39/51/81/1323395181.db2.gz RURPHAATCXKYEP-QUCCMNQESA-N 2 1 341.499 2.254 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231671 1323811045 /nfs/dbraw/zinc/81/10/45/1323811045.db2.gz NKTAITPEJXLVRL-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231671 1323811051 /nfs/dbraw/zinc/81/10/51/1323811051.db2.gz NKTAITPEJXLVRL-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)C(C)(C)C1 ZINC001284291510 1326490558 /nfs/dbraw/zinc/49/05/58/1326490558.db2.gz GYLUZPPQSZFGHE-MZIIKBMYSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)C(C)(C)C1 ZINC001284291510 1326490560 /nfs/dbraw/zinc/49/05/60/1326490560.db2.gz GYLUZPPQSZFGHE-MZIIKBMYSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001492155822 1331018991 /nfs/dbraw/zinc/01/89/91/1331018991.db2.gz DDBTWWRQUMCEMH-SJORKVTESA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001492155822 1331019002 /nfs/dbraw/zinc/01/90/02/1331019002.db2.gz DDBTWWRQUMCEMH-SJORKVTESA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=C)Cl ZINC001492155822 1331019005 /nfs/dbraw/zinc/01/90/05/1331019005.db2.gz DDBTWWRQUMCEMH-SJORKVTESA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=C)Cl ZINC001492155822 1331019010 /nfs/dbraw/zinc/01/90/10/1331019010.db2.gz DDBTWWRQUMCEMH-SJORKVTESA-N 2 1 337.895 2.197 10 30 EEEEMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316721858 1331861837 /nfs/dbraw/zinc/86/18/37/1331861837.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316721858 1331861842 /nfs/dbraw/zinc/86/18/42/1331861842.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316721858 1331861847 /nfs/dbraw/zinc/86/18/47/1331861847.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433853 1332238260 /nfs/dbraw/zinc/23/82/60/1332238260.db2.gz FUCUVFZHTHALCM-INIZCTEOSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318428610 1332532601 /nfs/dbraw/zinc/53/26/01/1332532601.db2.gz KWGIEFUSDZZGAD-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318428610 1332532604 /nfs/dbraw/zinc/53/26/04/1332532604.db2.gz KWGIEFUSDZZGAD-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318428610 1332532606 /nfs/dbraw/zinc/53/26/06/1332532606.db2.gz KWGIEFUSDZZGAD-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318428610 1332532609 /nfs/dbraw/zinc/53/26/09/1332532609.db2.gz KWGIEFUSDZZGAD-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320110083 1332828842 /nfs/dbraw/zinc/82/88/42/1332828842.db2.gz FEPSAJJMYXZCQC-HOTGVXAUSA-N 2 1 327.900 2.394 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323443313 1333465300 /nfs/dbraw/zinc/46/53/00/1333465300.db2.gz QQVTUXRFVHYMPU-LJQANCHMSA-N 2 1 339.483 2.149 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001326273600 1334057704 /nfs/dbraw/zinc/05/77/04/1334057704.db2.gz VNKQFGORLULEPB-ZWKOTPCHSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327981741 1334373615 /nfs/dbraw/zinc/37/36/15/1334373615.db2.gz IHIROXFXCNYFRP-KRWDZBQOSA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805918 1334525483 /nfs/dbraw/zinc/52/54/83/1334525483.db2.gz GUICNHOCTHESAN-ZWKOTPCHSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1csc(C)c1 ZINC001329470572 1334656608 /nfs/dbraw/zinc/65/66/08/1334656608.db2.gz IYSCPLIIWJXDTA-PBHICJAKSA-N 2 1 333.501 2.091 10 30 EEEEMP 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ZINC001333457757 1336051267 /nfs/dbraw/zinc/05/12/67/1336051267.db2.gz MNLXJFPLYZFYQU-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001333457757 1336051270 /nfs/dbraw/zinc/05/12/70/1336051270.db2.gz MNLXJFPLYZFYQU-UHFFFAOYSA-N 2 1 340.471 2.147 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566877896 1342646028 /nfs/dbraw/zinc/64/60/28/1342646028.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877896 1342646030 /nfs/dbraw/zinc/64/60/30/1342646030.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877896 1342646033 /nfs/dbraw/zinc/64/60/33/1342646033.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954637 1342659703 /nfs/dbraw/zinc/65/97/03/1342659703.db2.gz ALMSQOAFRUSEMM-RBUKOAKNSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001566954637 1342659706 /nfs/dbraw/zinc/65/97/06/1342659706.db2.gz ALMSQOAFRUSEMM-RBUKOAKNSA-N 2 1 342.487 2.450 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001570781504 1343115136 /nfs/dbraw/zinc/11/51/36/1343115136.db2.gz RKXJJYDLOZFTKP-OALUTQOASA-N 2 1 329.488 2.385 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC2CCCC2)C2CC2)CC1 ZINC001660752718 1354531668 /nfs/dbraw/zinc/53/16/68/1354531668.db2.gz HCEHCANGYICSEP-UHFFFAOYSA-N 2 1 345.531 2.493 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192680 1354603211 /nfs/dbraw/zinc/60/32/11/1354603211.db2.gz IJADVRVLZYOCBZ-IBGZPJMESA-N 2 1 345.462 2.002 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001662533365 1354804609 /nfs/dbraw/zinc/80/46/09/1354804609.db2.gz FYHYNVIIVGXYFO-PKOBYXMFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662676142 1354824604 /nfs/dbraw/zinc/82/46/04/1354824604.db2.gz YQSRFNJQBONLTN-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662878773 1354872450 /nfs/dbraw/zinc/87/24/50/1354872450.db2.gz VWSGAVDWDGFRIF-LJQANCHMSA-N 2 1 327.472 2.308 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccccc21 ZINC001663389196 1354956279 /nfs/dbraw/zinc/95/62/79/1354956279.db2.gz PIALTGUDPIZATN-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H]1CCc2ccccc21 ZINC001663389196 1354956283 /nfs/dbraw/zinc/95/62/83/1354956283.db2.gz PIALTGUDPIZATN-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H]1CCc2ccccc21 ZINC001663389196 1354956284 /nfs/dbraw/zinc/95/62/84/1354956284.db2.gz PIALTGUDPIZATN-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H]1CCc2ccccc21 ZINC001663389196 1354956286 /nfs/dbraw/zinc/95/62/86/1354956286.db2.gz PIALTGUDPIZATN-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC/C=C/CCC)C1 ZINC001663593290 1354995569 /nfs/dbraw/zinc/99/55/69/1354995569.db2.gz RRKQDAMGRRWPRB-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001663593290 1354995570 /nfs/dbraw/zinc/99/55/70/1354995570.db2.gz RRKQDAMGRRWPRB-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C/CCC)C1 ZINC001663593290 1354995574 /nfs/dbraw/zinc/99/55/74/1354995574.db2.gz RRKQDAMGRRWPRB-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C/CCC)C1 ZINC001663593290 1354995575 /nfs/dbraw/zinc/99/55/75/1354995575.db2.gz RRKQDAMGRRWPRB-FNYRVFDFSA-N 2 1 331.504 2.269 10 30 EEEEMP C=C(C)C[N@H+](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC001663756594 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2.445 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001667751234 1355806437 /nfs/dbraw/zinc/80/64/37/1355806437.db2.gz IMNOWBIRPJIVAK-NVXWUHKLSA-N 2 1 346.475 2.335 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001669377674 1356152559 /nfs/dbraw/zinc/15/25/59/1356152559.db2.gz YUAQLQXVNGUUTH-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492245 1356349455 /nfs/dbraw/zinc/34/94/55/1356349455.db2.gz ULAHDENYOCHVPF-SFHVURJKSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCF)CC1 ZINC001671504357 1356352257 /nfs/dbraw/zinc/35/22/57/1356352257.db2.gz YPYSGKWYUPZAIR-FUHWJXTLSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCC(F)(F)F)CC1 ZINC001673491978 1356696292 /nfs/dbraw/zinc/69/62/92/1356696292.db2.gz UXVQNZINNIFZFN-UHFFFAOYSA-N 2 1 347.425 2.064 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 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C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001568056593 1124261712 /nfs/dbraw/zinc/26/17/12/1124261712.db2.gz GVBPPRLGJSMIFX-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001568069412 1124275312 /nfs/dbraw/zinc/27/53/12/1124275312.db2.gz FICMSYPBLSQKIG-GOSISDBHSA-N 2 1 330.476 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001568176817 1124340626 /nfs/dbraw/zinc/34/06/26/1124340626.db2.gz KWGBTGLBOYNOCA-HKUYNNGSSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001568176817 1124340631 /nfs/dbraw/zinc/34/06/31/1124340631.db2.gz KWGBTGLBOYNOCA-HKUYNNGSSA-N 2 1 331.504 2.316 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001569087963 1125088884 /nfs/dbraw/zinc/08/88/84/1125088884.db2.gz HTMXMKKJZDNVBN-GJZGRUSLSA-N 2 1 327.432 2.330 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000109753637 463648508 /nfs/dbraw/zinc/64/85/08/463648508.db2.gz OSPYLONTCBNOFG-GOSISDBHSA-N 2 1 330.451 2.299 10 30 EEEEMP CC[NH+](CC)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360291087 465554464 /nfs/dbraw/zinc/55/44/64/465554464.db2.gz INXWPTBZCJSTRG-SFHVURJKSA-N 2 1 328.460 2.138 10 30 EEEEMP COC[C@@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000366959277 466041817 /nfs/dbraw/zinc/04/18/17/466041817.db2.gz DGQLZFSVNOWGHS-WOJBJXKFSA-N 2 1 336.520 2.487 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000594439390 468587559 /nfs/dbraw/zinc/58/75/59/468587559.db2.gz VHRNLWZLZSXSEK-ZWKOTPCHSA-N 2 1 328.460 2.178 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000594441578 468588736 /nfs/dbraw/zinc/58/87/36/468588736.db2.gz SUYHTMGRVUXFCL-HIFRSBDPSA-N 2 1 334.489 2.022 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000594441578 468588741 /nfs/dbraw/zinc/58/87/41/468588741.db2.gz SUYHTMGRVUXFCL-HIFRSBDPSA-N 2 1 334.489 2.022 10 30 EEEEMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000594936031 468725562 /nfs/dbraw/zinc/72/55/62/468725562.db2.gz GTVVOVLVWLMIOG-UHFFFAOYSA-N 2 1 326.488 2.357 10 30 EEEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215482 /nfs/dbraw/zinc/21/54/82/469215482.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215485 /nfs/dbraw/zinc/21/54/85/469215485.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215489 /nfs/dbraw/zinc/21/54/89/469215489.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 2 1 347.503 2.006 10 30 EEEEMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001373 470353377 /nfs/dbraw/zinc/35/33/77/470353377.db2.gz KDLYQYYPRCLYJT-ICSRJNTNSA-N 2 1 327.472 2.384 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054565 577675024 /nfs/dbraw/zinc/67/50/24/577675024.db2.gz HFWUWLCXUYGXJV-BZSNNMDCSA-N 2 1 345.874 2.299 10 30 EEEEMP C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000934460199 678373794 /nfs/dbraw/zinc/37/37/94/678373794.db2.gz GYJSWOUVCPOXHN-GOSISDBHSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000934460199 678373797 /nfs/dbraw/zinc/37/37/97/678373797.db2.gz GYJSWOUVCPOXHN-GOSISDBHSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871334 /nfs/dbraw/zinc/87/13/34/1191871334.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871335 /nfs/dbraw/zinc/87/13/35/1191871335.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871336 /nfs/dbraw/zinc/87/13/36/1191871336.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001772517163 1176585337 /nfs/dbraw/zinc/58/53/37/1176585337.db2.gz KIPIUNQEUPYMOT-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001772517163 1176585341 /nfs/dbraw/zinc/58/53/41/1176585341.db2.gz KIPIUNQEUPYMOT-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001267132678 1178304110 /nfs/dbraw/zinc/30/41/10/1178304110.db2.gz RCKQTZZZEZEBMO-KSSFIOAISA-N 2 1 347.528 2.447 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001267132678 1178304119 /nfs/dbraw/zinc/30/41/19/1178304119.db2.gz RCKQTZZZEZEBMO-KSSFIOAISA-N 2 1 347.528 2.447 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001267186302 1178452077 /nfs/dbraw/zinc/45/20/77/1178452077.db2.gz ZLQNQAJVEUBCPF-CVEARBPZSA-N 2 1 330.476 2.247 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001267372172 1178874423 /nfs/dbraw/zinc/87/44/23/1178874423.db2.gz IEQIECZMCVEHCF-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691790712 1180956849 /nfs/dbraw/zinc/95/68/49/1180956849.db2.gz VQAPMTHPSGAVIS-FHWLQOOXSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691790712 1180956859 /nfs/dbraw/zinc/95/68/59/1180956859.db2.gz VQAPMTHPSGAVIS-FHWLQOOXSA-N 2 1 331.504 2.149 10 30 EEEEMP CC#CC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001481519269 1181630710 /nfs/dbraw/zinc/63/07/10/1181630710.db2.gz ZHRJOZXMLIBXDL-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001481519269 1181630712 /nfs/dbraw/zinc/63/07/12/1181630712.db2.gz ZHRJOZXMLIBXDL-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268166069 1181902802 /nfs/dbraw/zinc/90/28/02/1181902802.db2.gz JFKOKZGDSYTFLY-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268492929 1182991435 /nfs/dbraw/zinc/99/14/35/1182991435.db2.gz FHDMVSCSJOXBQE-SFHVURJKSA-N 2 1 348.466 2.222 10 30 EEEEMP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001268499310 1183029195 /nfs/dbraw/zinc/02/91/95/1183029195.db2.gz JKHCJPIDRNMKBK-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001481984433 1183087180 /nfs/dbraw/zinc/08/71/80/1183087180.db2.gz MDRYJYYDSUSJSO-RBUKOAKNSA-N 2 1 333.520 2.350 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268544040 1183217050 /nfs/dbraw/zinc/21/70/50/1183217050.db2.gz YRJCEIPGWJATNC-ZMBJWTFHSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268544040 1183217053 /nfs/dbraw/zinc/21/70/53/1183217053.db2.gz YRJCEIPGWJATNC-ZMBJWTFHSA-N 2 1 340.471 2.193 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769993 1183688658 /nfs/dbraw/zinc/68/86/58/1183688658.db2.gz FBUKJJIZKLCLJH-IRXDYDNUSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269621943 1184447450 /nfs/dbraw/zinc/44/74/50/1184447450.db2.gz VHYSFIXEZPMEIT-LJQANCHMSA-N 2 1 331.504 2.195 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001269621943 1184447453 /nfs/dbraw/zinc/44/74/53/1184447453.db2.gz VHYSFIXEZPMEIT-LJQANCHMSA-N 2 1 331.504 2.195 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001269621943 1184447454 /nfs/dbraw/zinc/44/74/54/1184447454.db2.gz VHYSFIXEZPMEIT-LJQANCHMSA-N 2 1 331.504 2.195 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001270075144 1184829886 /nfs/dbraw/zinc/82/98/86/1184829886.db2.gz AQHQPFXUOCNXRB-UHFFFAOYSA-N 2 1 329.488 2.394 10 30 EEEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270623029 1185223684 /nfs/dbraw/zinc/22/36/84/1185223684.db2.gz DHZHTNFEAFZDEX-IBGZPJMESA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270623029 1185223687 /nfs/dbraw/zinc/22/36/87/1185223687.db2.gz DHZHTNFEAFZDEX-IBGZPJMESA-N 2 1 346.475 2.431 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001270996838 1185796433 /nfs/dbraw/zinc/79/64/33/1185796433.db2.gz XBQUFEICNOIKDV-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001270996838 1185796438 /nfs/dbraw/zinc/79/64/38/1185796438.db2.gz XBQUFEICNOIKDV-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001482665312 1187543749 /nfs/dbraw/zinc/54/37/49/1187543749.db2.gz JGHPPFQPIREMIM-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110743 1187912918 /nfs/dbraw/zinc/91/29/18/1187912918.db2.gz DUJGUPCZVKRFRK-WBVHZDCISA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110743 1187912922 /nfs/dbraw/zinc/91/29/22/1187912922.db2.gz DUJGUPCZVKRFRK-WBVHZDCISA-N 2 1 332.492 2.499 10 30 EEEEMP CN(CCC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001483475914 1190497390 /nfs/dbraw/zinc/49/73/90/1190497390.db2.gz ZHXJVOOVPCHQKU-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001409835925 1190667193 /nfs/dbraw/zinc/66/71/93/1190667193.db2.gz VZJIFIWUEBTXMR-KBPBESRZSA-N 2 1 346.313 2.254 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001483741869 1190891444 /nfs/dbraw/zinc/89/14/44/1190891444.db2.gz DALGOCUHTYHVSZ-LJQANCHMSA-N 2 1 339.483 2.151 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001483809570 1191054641 /nfs/dbraw/zinc/05/46/41/1191054641.db2.gz PCKZBCJCRSHZEY-IKGGRYGDSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483948452 1191127601 /nfs/dbraw/zinc/12/76/01/1191127601.db2.gz VUCWYBHWDZQUHG-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217474 1191689507 /nfs/dbraw/zinc/68/95/07/1191689507.db2.gz SCPAIUALYOQSTN-KGLIPLIRSA-N 2 1 334.439 2.022 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001486161627 1193707099 /nfs/dbraw/zinc/70/70/99/1193707099.db2.gz PAOPRMQRVIHYAG-DJIMGWMZSA-N 2 1 346.475 2.143 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001486180242 1193717565 /nfs/dbraw/zinc/71/75/65/1193717565.db2.gz LECSDWKEZUOBID-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001486180242 1193717567 /nfs/dbraw/zinc/71/75/67/1193717567.db2.gz LECSDWKEZUOBID-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412399 1193921689 /nfs/dbraw/zinc/92/16/89/1193921689.db2.gz WFLHMIIRGXYHHT-DNVCBOLYSA-N 2 1 339.499 2.343 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486453408 1193975132 /nfs/dbraw/zinc/97/51/32/1193975132.db2.gz ZKUHWHAMVKBJLF-LSDHHAIUSA-N 2 1 347.425 2.111 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001273180606 1197370095 /nfs/dbraw/zinc/37/00/95/1197370095.db2.gz UBLDJWILEJQGNW-UHFFFAOYSA-N 2 1 327.472 2.008 10 30 EEEEMP C#C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000874862096 1199044766 /nfs/dbraw/zinc/04/47/66/1199044766.db2.gz UOIMXUSHRQLENK-UAPYVXQJSA-N 2 1 345.531 2.491 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000876718187 1199736599 /nfs/dbraw/zinc/73/65/99/1199736599.db2.gz NBIZNEHNEADEGX-KRWDZBQOSA-N 2 1 335.879 2.499 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(C)C ZINC001691727638 1204233488 /nfs/dbraw/zinc/23/34/88/1204233488.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 1 333.480 2.193 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274855105 1205188489 /nfs/dbraw/zinc/18/84/89/1205188489.db2.gz CGZHODSDKKQHAO-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001274855105 1205188491 /nfs/dbraw/zinc/18/84/91/1205188491.db2.gz CGZHODSDKKQHAO-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001274855105 1205188493 /nfs/dbraw/zinc/18/84/93/1205188493.db2.gz CGZHODSDKKQHAO-YLJYHZDGSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491171155 1299650873 /nfs/dbraw/zinc/65/08/73/1299650873.db2.gz YZHACBGYHLVONH-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001278438643 1310266871 /nfs/dbraw/zinc/26/68/71/1310266871.db2.gz VNKXWYIOVAYCMC-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001278438643 1310266874 /nfs/dbraw/zinc/26/68/74/1310266874.db2.gz VNKXWYIOVAYCMC-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001278438643 1310266880 /nfs/dbraw/zinc/26/68/80/1310266880.db2.gz VNKXWYIOVAYCMC-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001278438643 1310266883 /nfs/dbraw/zinc/26/68/83/1310266883.db2.gz VNKXWYIOVAYCMC-OAQYLSRUSA-N 2 1 341.499 2.351 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001265184199 1322974196 /nfs/dbraw/zinc/97/41/96/1322974196.db2.gz UHBMUDKVNZTRRW-UHFFFAOYSA-N 2 1 327.472 2.356 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663059 1323306029 /nfs/dbraw/zinc/30/60/29/1323306029.db2.gz CUOGQWYMSJYGGB-WOJBJXKFSA-N 2 1 339.483 2.103 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682679 1325398956 /nfs/dbraw/zinc/39/89/56/1325398956.db2.gz LMCRWHVWYGOZCS-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682679 1325398965 /nfs/dbraw/zinc/39/89/65/1325398965.db2.gz LMCRWHVWYGOZCS-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682679 1325398974 /nfs/dbraw/zinc/39/89/74/1325398974.db2.gz LMCRWHVWYGOZCS-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283260182 1325976378 /nfs/dbraw/zinc/97/63/78/1325976378.db2.gz MEYMWEVHWXBREZ-APWZRJJASA-N 2 1 342.487 2.275 10 30 EEEEMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001284794686 1326718293 /nfs/dbraw/zinc/71/82/93/1326718293.db2.gz KLVFZTCKPJNMPW-DAWZGUTISA-N 2 1 337.508 2.031 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001316805065 1331901870 /nfs/dbraw/zinc/90/18/70/1331901870.db2.gz MCDJUNWFUFSJTB-IBGZPJMESA-N 2 1 336.439 2.432 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001317197985 1332126292 /nfs/dbraw/zinc/12/62/92/1332126292.db2.gz GOXZUMLCTXCGMW-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317197985 1332126296 /nfs/dbraw/zinc/12/62/96/1332126296.db2.gz GOXZUMLCTXCGMW-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001319374307 1332691929 /nfs/dbraw/zinc/69/19/29/1332691929.db2.gz GGFFNJLADLWZFU-LJQANCHMSA-N 2 1 337.483 2.241 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001319472612 1332707942 /nfs/dbraw/zinc/70/79/42/1332707942.db2.gz JWSTUAOLYMHRBI-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001319472612 1332707944 /nfs/dbraw/zinc/70/79/44/1332707944.db2.gz JWSTUAOLYMHRBI-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001322516130 1333274974 /nfs/dbraw/zinc/27/49/74/1333274974.db2.gz BBLMJOQVGVRZEV-QGZVFWFLSA-N 2 1 333.480 2.194 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001322516130 1333274977 /nfs/dbraw/zinc/27/49/77/1333274977.db2.gz BBLMJOQVGVRZEV-QGZVFWFLSA-N 2 1 333.480 2.194 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453968 1333889292 /nfs/dbraw/zinc/88/92/92/1333889292.db2.gz COHCAYHCEPQPRG-UYAOXDASSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001330171247 1334794075 /nfs/dbraw/zinc/79/40/75/1334794075.db2.gz QYSANWSJQGBZMC-FQEVSTJZSA-N 2 1 349.519 2.132 10 30 EEEEMP C#CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001331177437 1334976332 /nfs/dbraw/zinc/97/63/32/1334976332.db2.gz UQQGCELGCFQMMH-OALUTQOASA-N 2 1 327.472 2.189 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001667458613 1355745131 /nfs/dbraw/zinc/74/51/31/1355745131.db2.gz MRPIFJJRHYYOAH-RLLQIKCJSA-N 2 1 341.499 2.109 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668214030 1355901082 /nfs/dbraw/zinc/90/10/82/1355901082.db2.gz HOKMSDPXIZKMHY-SJORKVTESA-N 2 1 345.462 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC)CC1 ZINC001502496310 1342198068 /nfs/dbraw/zinc/19/80/68/1342198068.db2.gz ONRPEYUOMYFAAF-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC)CC1 ZINC001502496310 1342198075 /nfs/dbraw/zinc/19/80/75/1342198075.db2.gz ONRPEYUOMYFAAF-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001676082940 1357102682 /nfs/dbraw/zinc/10/26/82/1357102682.db2.gz YLZLQKPLTHXQFN-UHFFFAOYSA-N 2 1 327.472 2.308 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC001570227051 1343037059 /nfs/dbraw/zinc/03/70/59/1343037059.db2.gz JOHYOAWSIIDIRG-GOSISDBHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC001570227051 1343037061 /nfs/dbraw/zinc/03/70/61/1343037061.db2.gz JOHYOAWSIIDIRG-GOSISDBHSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553417 1343084277 /nfs/dbraw/zinc/08/42/77/1343084277.db2.gz OJOYXPFXWOANGA-LJQANCHMSA-N 2 1 345.531 2.302 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001571284135 1343174583 /nfs/dbraw/zinc/17/45/83/1343174583.db2.gz LRPGTWSRBAVDJH-ZDUSSCGKSA-N 2 1 345.472 2.199 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001661930371 1354725145 /nfs/dbraw/zinc/72/51/45/1354725145.db2.gz SJFNUIYRKDGLAK-OAHLLOKOSA-N 2 1 334.464 2.287 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001664836730 1355239595 /nfs/dbraw/zinc/23/95/95/1355239595.db2.gz YJTJFDMIGYUKOX-MRXNPFEDSA-N 2 1 346.475 2.240 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001664836730 1355239599 /nfs/dbraw/zinc/23/95/99/1355239599.db2.gz YJTJFDMIGYUKOX-MRXNPFEDSA-N 2 1 346.475 2.240 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC=C)C3)CC1 ZINC001672170477 1356473106 /nfs/dbraw/zinc/47/31/06/1356473106.db2.gz HDRCIYJPBWWIOS-SXLOBPIMSA-N 2 1 343.515 2.267 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001672929697 1356617246 /nfs/dbraw/zinc/61/72/46/1356617246.db2.gz PUKNBEMJUIXPIB-VQTJNVASSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001672929697 1356617251 /nfs/dbraw/zinc/61/72/51/1356617251.db2.gz PUKNBEMJUIXPIB-VQTJNVASSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001672929697 1356617253 /nfs/dbraw/zinc/61/72/53/1356617253.db2.gz PUKNBEMJUIXPIB-VQTJNVASSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001674352678 1356823331 /nfs/dbraw/zinc/82/33/31/1356823331.db2.gz GRPBGASYNYJXPM-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001699688577 1405441286 /nfs/dbraw/zinc/44/12/86/1405441286.db2.gz GGCAJTOTFVGDNU-LJQANCHMSA-N 2 1 333.520 2.299 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000907739344 784819275 /nfs/dbraw/zinc/81/92/75/784819275.db2.gz SOBVIWHZVRQQRP-GOSISDBHSA-N 2 1 347.528 2.228 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169998 1089192013 /nfs/dbraw/zinc/19/20/13/1089192013.db2.gz WGMVWULKVWAKQN-YOEHRIQHSA-N 2 1 346.450 2.166 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310193 1090787931 /nfs/dbraw/zinc/78/79/31/1090787931.db2.gz JELNBVGICPDOEA-LSDHHAIUSA-N 2 1 348.516 2.479 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445381559 1091123731 /nfs/dbraw/zinc/12/37/31/1091123731.db2.gz WKJOPQNSYUAQBR-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001439641043 1092563436 /nfs/dbraw/zinc/56/34/36/1092563436.db2.gz UNFLKMRWQNOZQL-YJBOKZPZSA-N 2 1 340.471 2.027 10 30 EEEEMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)CCC[NH+](C)C ZINC001449035030 1094047701 /nfs/dbraw/zinc/04/77/01/1094047701.db2.gz USDLMXPGWQMJIP-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058673 1099580116 /nfs/dbraw/zinc/58/01/16/1099580116.db2.gz RQYCRMKCMLPOGB-LJQANCHMSA-N 2 1 345.462 2.003 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001480362018 1100134957 /nfs/dbraw/zinc/13/49/57/1100134957.db2.gz YIUXPPCWNAMQSO-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001480403237 1100216254 /nfs/dbraw/zinc/21/62/54/1100216254.db2.gz QEZAUGPIRDGZEG-KLAILNCOSA-N 2 1 330.476 2.437 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480576086 1100421611 /nfs/dbraw/zinc/42/16/11/1100421611.db2.gz ZRGPNSMPFNDPHX-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496297259 1100884150 /nfs/dbraw/zinc/88/41/50/1100884150.db2.gz UATFXEHACXJFGL-RTBURBONSA-N 2 1 342.487 2.130 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184509 1102088951 /nfs/dbraw/zinc/08/89/51/1102088951.db2.gz AHZWKIYANHJAPW-AZUAARDMSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCCCC)C2)CC1 ZINC001494179873 1103655694 /nfs/dbraw/zinc/65/56/94/1103655694.db2.gz VZZWYARIPLUVNS-GOSISDBHSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455736 1107562280 /nfs/dbraw/zinc/56/22/80/1107562280.db2.gz JRVKEOKUFNDFKA-SFHVURJKSA-N 2 1 341.499 2.277 10 30 EEEEMP CC#CC[N@H+](CCCNC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001493869530 1108762997 /nfs/dbraw/zinc/76/29/97/1108762997.db2.gz CHQXNBDSPVIOGS-UHFFFAOYSA-N 2 1 346.475 2.124 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001493869530 1108763001 /nfs/dbraw/zinc/76/30/01/1108763001.db2.gz CHQXNBDSPVIOGS-UHFFFAOYSA-N 2 1 346.475 2.124 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001501617893 1113401295 /nfs/dbraw/zinc/40/12/95/1113401295.db2.gz GJELXLAVMJKWKH-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141037 1113613709 /nfs/dbraw/zinc/61/37/09/1113613709.db2.gz SRKXYDSAPABQAA-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141037 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OJEIPSDPACWCLG-UEKDZROGSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC/C=C/CC)CC1 ZINC001508206671 1115444341 /nfs/dbraw/zinc/44/43/41/1115444341.db2.gz OJEIPSDPACWCLG-UEKDZROGSA-N 2 1 329.488 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC/C=C/CC)CC1 ZINC001508206671 1115444343 /nfs/dbraw/zinc/44/43/43/1115444343.db2.gz OJEIPSDPACWCLG-UEKDZROGSA-N 2 1 329.488 2.189 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001568094844 1124299014 /nfs/dbraw/zinc/29/90/14/1124299014.db2.gz QKHHRZOCEJGKKU-RTBURBONSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001569302733 1125219079 /nfs/dbraw/zinc/21/90/79/1125219079.db2.gz AZSIPQMSYUSNEL-MJGOQNOKSA-N 2 1 331.504 2.149 10 30 EEEEMP N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000595894628 469067786 /nfs/dbraw/zinc/06/77/86/469067786.db2.gz XVJAZTDWYDNZTH-OAHLLOKOSA-N 2 1 338.377 2.057 10 30 EEEEMP N#Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000595894628 469067794 /nfs/dbraw/zinc/06/77/94/469067794.db2.gz XVJAZTDWYDNZTH-OAHLLOKOSA-N 2 1 338.377 2.057 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748422 472234011 /nfs/dbraw/zinc/23/40/11/472234011.db2.gz TVORXXXJYANYRX-YVWKXTFCSA-N 2 1 327.472 2.464 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000894638800 683008046 /nfs/dbraw/zinc/00/80/46/683008046.db2.gz GUYPDHODMOSJBY-KFWWJZLASA-N 2 1 348.409 2.441 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000894638800 683008047 /nfs/dbraw/zinc/00/80/47/683008047.db2.gz GUYPDHODMOSJBY-KFWWJZLASA-N 2 1 348.409 2.441 10 30 EEEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccc(F)cc1 ZINC000262784259 688457830 /nfs/dbraw/zinc/45/78/30/688457830.db2.gz MBSNIQMAONVZJB-QGZVFWFLSA-N 2 1 338.496 2.270 10 30 EEEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 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NOLVJIXYVNQMPB-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691159905 1177656080 /nfs/dbraw/zinc/65/60/80/1177656080.db2.gz NOLVJIXYVNQMPB-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691159905 1177656085 /nfs/dbraw/zinc/65/60/85/1177656085.db2.gz NOLVJIXYVNQMPB-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402257 1178010862 /nfs/dbraw/zinc/01/08/62/1178010862.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402257 1178010872 /nfs/dbraw/zinc/01/08/72/1178010872.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402257 1178010876 /nfs/dbraw/zinc/01/08/76/1178010876.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 2 1 325.472 2.308 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001267115500 1178277953 /nfs/dbraw/zinc/27/79/53/1178277953.db2.gz VJCHPLCQEILJLD-OOYWPUHTSA-N 2 1 337.895 2.007 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267476356 1179113073 /nfs/dbraw/zinc/11/30/73/1179113073.db2.gz ZZGAERNBTUNIFF-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267476356 1179113077 /nfs/dbraw/zinc/11/30/77/1179113077.db2.gz ZZGAERNBTUNIFF-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267476356 1179113079 /nfs/dbraw/zinc/11/30/79/1179113079.db2.gz ZZGAERNBTUNIFF-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547492 1179330816 /nfs/dbraw/zinc/33/08/16/1179330816.db2.gz NKAKUMOBKDPHCU-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547492 1179330824 /nfs/dbraw/zinc/33/08/24/1179330824.db2.gz NKAKUMOBKDPHCU-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374741 1181155284 /nfs/dbraw/zinc/15/52/84/1181155284.db2.gz XRKAIKBPFBJMCV-RTBURBONSA-N 2 1 327.472 2.187 10 30 EEEEMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406441 1181238074 /nfs/dbraw/zinc/23/80/74/1181238074.db2.gz SLXJXBQRBZKTCP-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406441 1181238078 /nfs/dbraw/zinc/23/80/78/1181238078.db2.gz SLXJXBQRBZKTCP-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001481462676 1181465327 /nfs/dbraw/zinc/46/53/27/1181465327.db2.gz VARFDKPOFZSZIC-SFHVURJKSA-N 2 1 333.520 2.206 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCC(C)C)C2)CC1 ZINC001481507566 1181592882 /nfs/dbraw/zinc/59/28/82/1181592882.db2.gz BPGWHXQYNSNGTM-GOSISDBHSA-N 2 1 333.520 2.158 10 30 EEEEMP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268191017 1181979398 /nfs/dbraw/zinc/97/93/98/1181979398.db2.gz GMIMOSUTFRFBPH-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP CC[C@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268240821 1182066705 /nfs/dbraw/zinc/06/67/05/1182066705.db2.gz QLHNYRHQGORWEY-GOSISDBHSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268240821 1182066712 /nfs/dbraw/zinc/06/67/12/1182066712.db2.gz QLHNYRHQGORWEY-GOSISDBHSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811505 1182739814 /nfs/dbraw/zinc/73/98/14/1182739814.db2.gz TUMNFFURNIRUBI-VQTJNVASSA-N 2 1 341.499 2.395 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268550553 1183234389 /nfs/dbraw/zinc/23/43/89/1183234389.db2.gz QLNIXIRXYKMBRP-AWFCHZOYSA-N 2 1 325.884 2.408 10 30 EEEEMP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001269552406 1184378952 /nfs/dbraw/zinc/37/89/52/1184378952.db2.gz CGARBXQATXIUBY-RBUKOAKNSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552406 1184378964 /nfs/dbraw/zinc/37/89/64/1184378964.db2.gz CGARBXQATXIUBY-RBUKOAKNSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552406 1184378971 /nfs/dbraw/zinc/37/89/71/1184378971.db2.gz CGARBXQATXIUBY-RBUKOAKNSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691517088 1185620252 /nfs/dbraw/zinc/62/02/52/1185620252.db2.gz BZNNTBCUZSGRBP-LNLFQRSKSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001670923899 1193528166 /nfs/dbraw/zinc/52/81/66/1193528166.db2.gz REWITUBQDIVXRE-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670923899 1193528168 /nfs/dbraw/zinc/52/81/68/1193528168.db2.gz REWITUBQDIVXRE-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670923899 1193528170 /nfs/dbraw/zinc/52/81/70/1193528170.db2.gz REWITUBQDIVXRE-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001670989217 1193539414 /nfs/dbraw/zinc/53/94/14/1193539414.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 1 330.476 2.477 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483137396 1188687061 /nfs/dbraw/zinc/68/70/61/1188687061.db2.gz PLJMFBOZXVKHHO-ZMYBRWDISA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483137396 1188687063 /nfs/dbraw/zinc/68/70/63/1188687063.db2.gz PLJMFBOZXVKHHO-ZMYBRWDISA-N 2 1 343.446 2.005 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001483989440 1191144501 /nfs/dbraw/zinc/14/45/01/1191144501.db2.gz JTRQRMAHSSRAMF-LJQANCHMSA-N 2 1 339.483 2.065 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484110562 1191216733 /nfs/dbraw/zinc/21/67/33/1191216733.db2.gz KRUFFWJPROVSEV-LPHOPBHVSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CCN[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001484325063 1191305550 /nfs/dbraw/zinc/30/55/50/1191305550.db2.gz XOPDXMVQUPATDL-RTBURBONSA-N 2 1 327.472 2.113 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001485005008 1191611730 /nfs/dbraw/zinc/61/17/30/1191611730.db2.gz UZIXWLLNMWPRDU-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485156290 1191668271 /nfs/dbraw/zinc/66/82/71/1191668271.db2.gz GITVHTGCXKKYQF-KGLIPLIRSA-N 2 1 346.450 2.164 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217475 1191689755 /nfs/dbraw/zinc/68/97/55/1191689755.db2.gz SCPAIUALYOQSTN-UONOGXRCSA-N 2 1 334.439 2.022 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001279180496 1198403663 /nfs/dbraw/zinc/40/36/63/1198403663.db2.gz DVILDYUTCMYQRP-ZIAGYGMSSA-N 2 1 335.414 2.273 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC/C=C\CC)CC1 ZINC001273428116 1198809760 /nfs/dbraw/zinc/80/97/60/1198809760.db2.gz MVRPZSKBUXOBPT-DSQZMVHQSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC/C=C\CC)CC1 ZINC001273428116 1198809761 /nfs/dbraw/zinc/80/97/61/1198809761.db2.gz MVRPZSKBUXOBPT-DSQZMVHQSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C\CC)CC1 ZINC001273428116 1198809776 /nfs/dbraw/zinc/80/97/76/1198809776.db2.gz MVRPZSKBUXOBPT-DSQZMVHQSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C\CC)CC1 ZINC001273428116 1198809777 /nfs/dbraw/zinc/80/97/77/1198809777.db2.gz MVRPZSKBUXOBPT-DSQZMVHQSA-N 2 1 331.504 2.411 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261965 1201440260 /nfs/dbraw/zinc/44/02/60/1201440260.db2.gz PKVKCYKVHFTPOQ-IRXDYDNUSA-N 2 1 328.460 2.181 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261965 1201440262 /nfs/dbraw/zinc/44/02/62/1201440262.db2.gz PKVKCYKVHFTPOQ-IRXDYDNUSA-N 2 1 328.460 2.181 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000886579603 1202526817 /nfs/dbraw/zinc/52/68/17/1202526817.db2.gz AIMXPMILBDRKCY-QGZVFWFLSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274096505 1204368538 /nfs/dbraw/zinc/36/85/38/1204368538.db2.gz GAOVPBZOUVPRLE-BSCWQEJHSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274096505 1204368543 /nfs/dbraw/zinc/36/85/43/1204368543.db2.gz GAOVPBZOUVPRLE-BSCWQEJHSA-N 2 1 343.446 2.246 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001274345684 1205006386 /nfs/dbraw/zinc/00/63/86/1205006386.db2.gz XYFJVICUVKPDJK-ZWKOTPCHSA-N 2 1 349.519 2.177 10 30 EEEEMP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2ccccc2C#N)CC1 ZINC001274411997 1205025461 /nfs/dbraw/zinc/02/54/61/1205025461.db2.gz BYZHFBXOHLGWPK-PLNGDYQASA-N 2 1 340.471 2.052 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1 ZINC001273535594 1279430176 /nfs/dbraw/zinc/43/01/76/1279430176.db2.gz ZRAHRFKEIMGPPT-UHFFFAOYSA-N 2 1 338.455 2.024 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1 ZINC001273535594 1279430182 /nfs/dbraw/zinc/43/01/82/1279430182.db2.gz ZRAHRFKEIMGPPT-UHFFFAOYSA-N 2 1 338.455 2.024 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273752938 1284818234 /nfs/dbraw/zinc/81/82/34/1284818234.db2.gz MRSCGNUEYUIAKS-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852865516 1292220676 /nfs/dbraw/zinc/22/06/76/1292220676.db2.gz GBUMYLYOOOATMD-XLIONFOSSA-N 2 1 339.483 2.159 10 30 EEEEMP C[C@H](c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000852866213 1292220975 /nfs/dbraw/zinc/22/09/75/1292220975.db2.gz GPXLKMAKDMSGFF-MRXNPFEDSA-N 2 1 341.455 2.021 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001276921096 1300270001 /nfs/dbraw/zinc/27/00/01/1300270001.db2.gz HJUFVCRLQLIHIC-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001277516939 1303812328 /nfs/dbraw/zinc/81/23/28/1303812328.db2.gz RFDLDQDHVRPZCA-WMZOPIPTSA-N 2 1 325.472 2.167 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001278169999 1306149982 /nfs/dbraw/zinc/14/99/82/1306149982.db2.gz VNCJERCHWWKWIS-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)C[NH+](C)C1CCC1 ZINC001280820956 1322469390 /nfs/dbraw/zinc/46/93/90/1322469390.db2.gz CVVLTDKPMPRBOY-UHFFFAOYSA-N 2 1 341.499 2.303 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001280820956 1322469391 /nfs/dbraw/zinc/46/93/91/1322469391.db2.gz CVVLTDKPMPRBOY-UHFFFAOYSA-N 2 1 341.499 2.303 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001280820956 1322469396 /nfs/dbraw/zinc/46/93/96/1322469396.db2.gz CVVLTDKPMPRBOY-UHFFFAOYSA-N 2 1 341.499 2.303 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372592 1322679033 /nfs/dbraw/zinc/67/90/33/1322679033.db2.gz IEKQPQQNNBLRLA-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372592 1322679039 /nfs/dbraw/zinc/67/90/39/1322679039.db2.gz IEKQPQQNNBLRLA-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001264372592 1322679042 /nfs/dbraw/zinc/67/90/42/1322679042.db2.gz IEKQPQQNNBLRLA-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264372592 1322679046 /nfs/dbraw/zinc/67/90/46/1322679046.db2.gz IEKQPQQNNBLRLA-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001264677593 1322779057 /nfs/dbraw/zinc/77/90/57/1322779057.db2.gz DLISSGZOPHMIEB-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001265648800 1323294915 /nfs/dbraw/zinc/29/49/15/1323294915.db2.gz GXDFJBGDPRMCFS-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266009118 1323561956 /nfs/dbraw/zinc/56/19/56/1323561956.db2.gz NOJYLVLXABTXFZ-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231424 1323811307 /nfs/dbraw/zinc/81/13/07/1323811307.db2.gz HYNTVYHPLISFIY-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231424 1323811311 /nfs/dbraw/zinc/81/13/11/1323811311.db2.gz HYNTVYHPLISFIY-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001266240901 1323828837 /nfs/dbraw/zinc/82/88/37/1323828837.db2.gz FTUHEOOOCHRYNW-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281776333 1325448319 /nfs/dbraw/zinc/44/83/19/1325448319.db2.gz LZLVEUHFYFFOSJ-VQIMIIECSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001281776333 1325448322 /nfs/dbraw/zinc/44/83/22/1325448322.db2.gz LZLVEUHFYFFOSJ-VQIMIIECSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281776333 1325448326 /nfs/dbraw/zinc/44/83/26/1325448326.db2.gz LZLVEUHFYFFOSJ-VQIMIIECSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281776333 1325448331 /nfs/dbraw/zinc/44/83/31/1325448331.db2.gz LZLVEUHFYFFOSJ-VQIMIIECSA-N 2 1 327.472 2.230 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001282294771 1325680390 /nfs/dbraw/zinc/68/03/90/1325680390.db2.gz FXQSBSMLNHGTJV-QGZVFWFLSA-N 2 1 347.507 2.440 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001282294771 1325680393 /nfs/dbraw/zinc/68/03/93/1325680393.db2.gz FXQSBSMLNHGTJV-QGZVFWFLSA-N 2 1 347.507 2.440 10 30 EEEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001282678328 1325763843 /nfs/dbraw/zinc/76/38/43/1325763843.db2.gz QPNTZCIUZGTSKA-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001282678328 1325763844 /nfs/dbraw/zinc/76/38/44/1325763844.db2.gz QPNTZCIUZGTSKA-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001284977389 1326806742 /nfs/dbraw/zinc/80/67/42/1326806742.db2.gz HBUVHVKJIWDVPE-LJQANCHMSA-N 2 1 325.456 2.061 10 30 EEEEMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001284977389 1326806745 /nfs/dbraw/zinc/80/67/45/1326806745.db2.gz HBUVHVKJIWDVPE-LJQANCHMSA-N 2 1 325.456 2.061 10 30 EEEEMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001284977389 1326806748 /nfs/dbraw/zinc/80/67/48/1326806748.db2.gz HBUVHVKJIWDVPE-LJQANCHMSA-N 2 1 325.456 2.061 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001316805659 1331902861 /nfs/dbraw/zinc/90/28/61/1331902861.db2.gz HCMRHMPBBCXDNB-KBPBESRZSA-N 2 1 348.516 2.034 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001316805659 1331902864 /nfs/dbraw/zinc/90/28/64/1331902864.db2.gz HCMRHMPBBCXDNB-KBPBESRZSA-N 2 1 348.516 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(CC)CC ZINC001317189812 1332123029 /nfs/dbraw/zinc/12/30/29/1332123029.db2.gz KTCQOANNKQCMKP-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(CC)CC ZINC001317189812 1332123031 /nfs/dbraw/zinc/12/30/31/1332123031.db2.gz KTCQOANNKQCMKP-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)C[N@@H+](C)C1CCC1 ZINC001317595426 1332316504 /nfs/dbraw/zinc/31/65/04/1332316504.db2.gz BGMFRRAVEKZGMN-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317642728 1332344471 /nfs/dbraw/zinc/34/44/71/1332344471.db2.gz KZDKRSRBXRPILA-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001319045535 1332641003 /nfs/dbraw/zinc/64/10/03/1332641003.db2.gz UFPSPZPCUFHUPN-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001319045535 1332641010 /nfs/dbraw/zinc/64/10/10/1332641010.db2.gz UFPSPZPCUFHUPN-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001319889635 1332792959 /nfs/dbraw/zinc/79/29/59/1332792959.db2.gz HGRGJOXLRKATEV-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320450976 1332887331 /nfs/dbraw/zinc/88/73/31/1332887331.db2.gz SMSVHADUDRSQLE-ZIAGYGMSSA-N 2 1 346.313 2.254 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001324318602 1333657059 /nfs/dbraw/zinc/65/70/59/1333657059.db2.gz NMGGCUVGBDVBQL-INIZCTEOSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324397565 1333674610 /nfs/dbraw/zinc/67/46/10/1333674610.db2.gz QENFBYPNRQTRAD-ONLMNPRXSA-N 2 1 337.895 2.005 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470221 1334099765 /nfs/dbraw/zinc/09/97/65/1334099765.db2.gz ZAUUISKNUNEAED-APWZRJJASA-N 2 1 327.472 2.459 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001327079523 1334216711 /nfs/dbraw/zinc/21/67/11/1334216711.db2.gz IKQRZKZNOJGSSX-MOPGFXCFSA-N 2 1 345.487 2.073 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001327359344 1334275947 /nfs/dbraw/zinc/27/59/47/1334275947.db2.gz NGULTGAGCWHWIQ-FUHWJXTLSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001328018836 1334379551 /nfs/dbraw/zinc/37/95/51/1334379551.db2.gz ZWZDRNYLXIIXHM-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001328343608 1334447708 /nfs/dbraw/zinc/44/77/08/1334447708.db2.gz HWENJXITRRFJAF-YSIASYRMSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746537 1342622583 /nfs/dbraw/zinc/62/25/83/1342622583.db2.gz KJOZMACBZZJIKV-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746537 1342622586 /nfs/dbraw/zinc/62/25/86/1342622586.db2.gz KJOZMACBZZJIKV-QUCCMNQESA-N 2 1 341.499 2.483 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC001675964491 1357078389 /nfs/dbraw/zinc/07/83/89/1357078389.db2.gz QBUMPRNEMIFAOU-ROUUACIJSA-N 2 1 336.524 2.421 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC[C@H](C)F)CC1 ZINC001570256911 1343043591 /nfs/dbraw/zinc/04/35/91/1343043591.db2.gz YILPJTUHTYXPAX-IRXDYDNUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC[C@H](C)F)CC1 ZINC001570256911 1343043596 /nfs/dbraw/zinc/04/35/96/1343043596.db2.gz YILPJTUHTYXPAX-IRXDYDNUSA-N 2 1 337.483 2.193 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001570660858 1343098128 /nfs/dbraw/zinc/09/81/28/1343098128.db2.gz ANCNPQXMJTUOKA-ACBHZAAOSA-N 2 1 333.520 2.489 10 30 EEEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001571370411 1343200065 /nfs/dbraw/zinc/20/00/65/1343200065.db2.gz VJXNUORXUULKOI-GOSISDBHSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001627614451 1352503885 /nfs/dbraw/zinc/50/38/85/1352503885.db2.gz QOLSAGHBFYRAHJ-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001627614451 1352503886 /nfs/dbraw/zinc/50/38/86/1352503886.db2.gz QOLSAGHBFYRAHJ-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664008636 1355072733 /nfs/dbraw/zinc/07/27/33/1355072733.db2.gz KSMVRRHFIGGBIN-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831107 1355238645 /nfs/dbraw/zinc/23/86/45/1355238645.db2.gz ZSTDBYDEWCRULF-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831107 1355238650 /nfs/dbraw/zinc/23/86/50/1355238650.db2.gz ZSTDBYDEWCRULF-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001674271736 1356810005 /nfs/dbraw/zinc/81/00/05/1356810005.db2.gz MGXNEXHBTFAVSU-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001674271736 1356810006 /nfs/dbraw/zinc/81/00/06/1356810006.db2.gz MGXNEXHBTFAVSU-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001674271736 1356810008 /nfs/dbraw/zinc/81/00/08/1356810008.db2.gz MGXNEXHBTFAVSU-XLIONFOSSA-N 2 1 339.483 2.067 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001698893608 1405136472 /nfs/dbraw/zinc/13/64/72/1405136472.db2.gz ONVVTLHKABJVNQ-QAPCUYQASA-N 2 1 339.443 2.284 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699260965 1405304532 /nfs/dbraw/zinc/30/45/32/1405304532.db2.gz NWAYXIVYFONKMG-WWAPKCSDSA-N 2 1 340.471 2.051 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C(C)C)CC1 ZINC001699788755 1405485917 /nfs/dbraw/zinc/48/59/17/1405485917.db2.gz GCUYGPUSARQQPH-UHFFFAOYSA-N 2 1 341.499 2.453 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C(C)C)CC1 ZINC001699788755 1405485920 /nfs/dbraw/zinc/48/59/20/1405485920.db2.gz GCUYGPUSARQQPH-UHFFFAOYSA-N 2 1 341.499 2.453 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853095 779436734 /nfs/dbraw/zinc/43/67/34/779436734.db2.gz LERMYWAPALDFSS-INIZCTEOSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853095 779436738 /nfs/dbraw/zinc/43/67/38/779436738.db2.gz LERMYWAPALDFSS-INIZCTEOSA-N 2 1 334.464 2.143 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001437311889 1089470458 /nfs/dbraw/zinc/47/04/58/1089470458.db2.gz NEMMUTVRXTZLBJ-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437987590 1090581953 /nfs/dbraw/zinc/58/19/53/1090581953.db2.gz YVNPFNZBUDQLQH-HZPDHXFCSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001437987590 1090581959 /nfs/dbraw/zinc/58/19/59/1090581959.db2.gz YVNPFNZBUDQLQH-HZPDHXFCSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001437987590 1090581962 /nfs/dbraw/zinc/58/19/62/1090581962.db2.gz YVNPFNZBUDQLQH-HZPDHXFCSA-N 2 1 327.900 2.392 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001449053554 1094069021 /nfs/dbraw/zinc/06/90/21/1094069021.db2.gz YCTJAOHVZNGMLE-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001449053554 1094069026 /nfs/dbraw/zinc/06/90/26/1094069026.db2.gz YCTJAOHVZNGMLE-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC001441938020 1096132300 /nfs/dbraw/zinc/13/23/00/1096132300.db2.gz REKITJPYCFNNSD-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001480362019 1100134686 /nfs/dbraw/zinc/13/46/86/1100134686.db2.gz YIUXPPCWNAMQSO-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001495200679 1100881152 /nfs/dbraw/zinc/88/11/52/1100881152.db2.gz RYBLCZBQGXOAMK-UHFFFAOYSA-N 2 1 325.416 2.086 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001497200221 1102113843 /nfs/dbraw/zinc/11/38/43/1102113843.db2.gz ZCLKIGLEUFANEN-KBPBESRZSA-N 2 1 346.313 2.254 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496136027 1102120734 /nfs/dbraw/zinc/12/07/34/1102120734.db2.gz CKOHWOSVVNVRJH-LPHOPBHVSA-N 2 1 345.462 2.098 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017161 /nfs/dbraw/zinc/01/71/61/1103017161.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017176 /nfs/dbraw/zinc/01/71/76/1103017176.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017192 /nfs/dbraw/zinc/01/71/92/1103017192.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001494136724 1103584886 /nfs/dbraw/zinc/58/48/86/1103584886.db2.gz GPNPGNSWWNYNPY-HNNXBMFYSA-N 2 1 333.501 2.227 10 30 EEEEMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001495083804 1104722563 /nfs/dbraw/zinc/72/25/63/1104722563.db2.gz JHRAUPPVPIUEOR-GOSISDBHSA-N 2 1 333.451 2.003 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480701700 1106914319 /nfs/dbraw/zinc/91/43/19/1106914319.db2.gz MPHXFSACMJEDFB-WOJBJXKFSA-N 2 1 341.499 2.201 10 30 EEEEMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001480706533 1106924549 /nfs/dbraw/zinc/92/45/49/1106924549.db2.gz FMLSLKBVOXVXJX-DLBZAZTESA-N 2 1 339.443 2.474 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500054357 1112595090 /nfs/dbraw/zinc/59/50/90/1112595090.db2.gz NGIMRIUJLVZZMP-SJORKVTESA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001501235855 1113255957 /nfs/dbraw/zinc/25/59/57/1113255957.db2.gz QKROAAYSLMMUEB-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001501235855 1113255960 /nfs/dbraw/zinc/25/59/60/1113255960.db2.gz QKROAAYSLMMUEB-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001505416494 1113950099 /nfs/dbraw/zinc/95/00/99/1113950099.db2.gz LNYPUOLUQWWXOV-SBHAEUEKSA-N 2 1 339.483 2.420 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001506522763 1114671885 /nfs/dbraw/zinc/67/18/85/1114671885.db2.gz XRZBIGGGDYKNLN-QZTJIDSGSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001507346611 1115209792 /nfs/dbraw/zinc/20/97/92/1115209792.db2.gz UXKZDKOHSOLEHX-SOLBZPMBSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001508236766 1115457256 /nfs/dbraw/zinc/45/72/56/1115457256.db2.gz VGHAOHICZUGDSQ-IBGZPJMESA-N 2 1 345.462 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001508236766 1115457258 /nfs/dbraw/zinc/45/72/58/1115457258.db2.gz VGHAOHICZUGDSQ-IBGZPJMESA-N 2 1 345.462 2.285 10 30 EEEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001567861920 1124145418 /nfs/dbraw/zinc/14/54/18/1124145418.db2.gz AWDNOAOKUQJTLQ-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001567861920 1124145421 /nfs/dbraw/zinc/14/54/21/1124145421.db2.gz AWDNOAOKUQJTLQ-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001567861920 1124145424 /nfs/dbraw/zinc/14/54/24/1124145424.db2.gz AWDNOAOKUQJTLQ-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001567861920 1124145426 /nfs/dbraw/zinc/14/54/26/1124145426.db2.gz AWDNOAOKUQJTLQ-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001568224670 1124368190 /nfs/dbraw/zinc/36/81/90/1124368190.db2.gz ICKZPMCLPMCPDQ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108057 1125101668 /nfs/dbraw/zinc/10/16/68/1125101668.db2.gz BLXPTQPTVSYBOH-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108057 1125101671 /nfs/dbraw/zinc/10/16/71/1125101671.db2.gz BLXPTQPTVSYBOH-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001569108057 1125101674 /nfs/dbraw/zinc/10/16/74/1125101674.db2.gz BLXPTQPTVSYBOH-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001569108057 1125101676 /nfs/dbraw/zinc/10/16/76/1125101676.db2.gz BLXPTQPTVSYBOH-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000186225084 463956395 /nfs/dbraw/zinc/95/63/95/463956395.db2.gz HXSIUKJMVBTDMQ-FQEVSTJZSA-N 2 1 326.488 2.469 10 30 EEEEMP Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000186225084 463956400 /nfs/dbraw/zinc/95/64/00/463956400.db2.gz HXSIUKJMVBTDMQ-FQEVSTJZSA-N 2 1 326.488 2.469 10 30 EEEEMP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000590315041 468233893 /nfs/dbraw/zinc/23/38/93/468233893.db2.gz HMTYITXRHMOMDC-QZTJIDSGSA-N 2 1 346.519 2.476 10 30 EEEEMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444096 468590856 /nfs/dbraw/zinc/59/08/56/468590856.db2.gz XPJHWPXCNZVXSM-UHOSZYNNSA-N 2 1 342.487 2.424 10 30 EEEEMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599284696 469192041 /nfs/dbraw/zinc/19/20/41/469192041.db2.gz XYEYNTXDEPQKMV-SFHVURJKSA-N 2 1 337.508 2.110 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261983858 676891707 /nfs/dbraw/zinc/89/17/07/676891707.db2.gz JGWJONHAURGLLP-CQSZACIVSA-N 2 1 332.448 2.449 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc2c(C(=O)OC)cccc12 ZINC000894863628 683229381 /nfs/dbraw/zinc/22/93/81/683229381.db2.gz OGLRLSSMTPSMLC-UHFFFAOYSA-N 2 1 325.412 2.066 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc2c(C(=O)OC)cccc12 ZINC000894863628 683229385 /nfs/dbraw/zinc/22/93/85/683229385.db2.gz OGLRLSSMTPSMLC-UHFFFAOYSA-N 2 1 325.412 2.066 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCC[NH2+]CC)c1ccccc1 ZINC001485778502 1191934959 /nfs/dbraw/zinc/93/49/59/1191934959.db2.gz GZCXDCCNAMECFJ-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCC[NH2+]CC)c1ccccc1 ZINC001485778502 1191934961 /nfs/dbraw/zinc/93/49/61/1191934961.db2.gz GZCXDCCNAMECFJ-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266550855 1176818157 /nfs/dbraw/zinc/81/81/57/1176818157.db2.gz FKEIAEYERMMSLL-OOFWQKGWSA-N 2 1 331.504 2.126 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322615 /nfs/dbraw/zinc/32/26/15/1178322615.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322624 /nfs/dbraw/zinc/32/26/24/1178322624.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322633 /nfs/dbraw/zinc/32/26/33/1178322633.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001267201443 1178486720 /nfs/dbraw/zinc/48/67/20/1178486720.db2.gz OLCPJMSDYFUROX-PBHICJAKSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001267208887 1178501224 /nfs/dbraw/zinc/50/12/24/1178501224.db2.gz ZUDCBLQCBHHHHX-MRXNPFEDSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001267628048 1180023844 /nfs/dbraw/zinc/02/38/44/1180023844.db2.gz MODLWGTZKPOKLZ-FHWLQOOXSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001267936975 1180789187 /nfs/dbraw/zinc/78/91/87/1180789187.db2.gz WAASLBNZXQSRBC-VQIMIIECSA-N 2 1 345.487 2.078 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001267936975 1180789193 /nfs/dbraw/zinc/78/91/93/1180789193.db2.gz WAASLBNZXQSRBC-VQIMIIECSA-N 2 1 345.487 2.078 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369371 1181144840 /nfs/dbraw/zinc/14/48/40/1181144840.db2.gz OWQCGWDRNWUDHC-WDSOQIARSA-N 2 1 327.472 2.187 10 30 EEEEMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776933 1182674049 /nfs/dbraw/zinc/67/40/49/1182674049.db2.gz CCKRESDZEOSDOP-PMACEKPBSA-N 2 1 341.499 2.301 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268543553 1183215367 /nfs/dbraw/zinc/21/53/67/1183215367.db2.gz WLBZANQXEWJARH-GNAXCBTBSA-N 2 1 340.471 2.193 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268547130 1183230143 /nfs/dbraw/zinc/23/01/43/1183230143.db2.gz FHIDIFNICULYMM-ZMBJWTFHSA-N 2 1 340.471 2.195 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268547130 1183230146 /nfs/dbraw/zinc/23/01/46/1183230146.db2.gz FHIDIFNICULYMM-ZMBJWTFHSA-N 2 1 340.471 2.195 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001482199514 1183877576 /nfs/dbraw/zinc/87/75/76/1183877576.db2.gz GKZXLEXCQRBENJ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001270737462 1185355935 /nfs/dbraw/zinc/35/59/35/1185355935.db2.gz NBARCGZQBKYKSK-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001270737462 1185355939 /nfs/dbraw/zinc/35/59/39/1185355939.db2.gz NBARCGZQBKYKSK-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984271 1185788384 /nfs/dbraw/zinc/78/83/84/1185788384.db2.gz ZEEHDRZKIGHJIC-QFBILLFUSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984271 1185788390 /nfs/dbraw/zinc/78/83/90/1185788390.db2.gz ZEEHDRZKIGHJIC-QFBILLFUSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001483019467 1188007038 /nfs/dbraw/zinc/00/70/38/1188007038.db2.gz KBNKDZKTYCBTGJ-GHOSXJJBSA-N 2 1 331.504 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001483019467 1188007044 /nfs/dbraw/zinc/00/70/44/1188007044.db2.gz KBNKDZKTYCBTGJ-GHOSXJJBSA-N 2 1 331.504 2.316 10 30 EEEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001484561308 1191416660 /nfs/dbraw/zinc/41/66/60/1191416660.db2.gz AFKZDFBKQVRSNG-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001484561308 1191416661 /nfs/dbraw/zinc/41/66/61/1191416661.db2.gz AFKZDFBKQVRSNG-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001273018882 1194325067 /nfs/dbraw/zinc/32/50/67/1194325067.db2.gz PSRSKLSKAZDVNB-ZDUSSCGKSA-N 2 1 348.329 2.357 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789330 1205527792 /nfs/dbraw/zinc/52/77/92/1205527792.db2.gz BJBHBDHCXVWUMX-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789330 1205527794 /nfs/dbraw/zinc/52/77/94/1205527794.db2.gz BJBHBDHCXVWUMX-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789330 1205527795 /nfs/dbraw/zinc/52/77/95/1205527795.db2.gz BJBHBDHCXVWUMX-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789330 1205527797 /nfs/dbraw/zinc/52/77/97/1205527797.db2.gz BJBHBDHCXVWUMX-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC#Cc1ccccc1 ZINC001275944926 1205599135 /nfs/dbraw/zinc/59/91/35/1205599135.db2.gz JRAMCAWGMDIXAF-GOSISDBHSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC#Cc1ccccc1 ZINC001275944926 1205599136 /nfs/dbraw/zinc/59/91/36/1205599136.db2.gz JRAMCAWGMDIXAF-GOSISDBHSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691743051 1215080599 /nfs/dbraw/zinc/08/05/99/1215080599.db2.gz UMDFXSVITGMZOX-RVKKMQEKSA-N 2 1 325.472 2.259 10 30 EEEEMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303258550 1215786096 /nfs/dbraw/zinc/78/60/96/1215786096.db2.gz KXSFCSQUUOYOCK-HUUCEWRRSA-N 2 1 336.505 2.043 10 30 EEEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726696 1241733373 /nfs/dbraw/zinc/73/33/73/1241733373.db2.gz NEOXBPMHCOOYHC-QZTJIDSGSA-N 2 1 331.416 2.351 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001490902332 1254256195 /nfs/dbraw/zinc/25/61/95/1254256195.db2.gz MXWGWOFWYMOUGI-VAMGGRTRSA-N 2 1 339.483 2.149 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001491172775 1258742975 /nfs/dbraw/zinc/74/29/75/1258742975.db2.gz JVMMDTUEINXOEK-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281484942 1303555518 /nfs/dbraw/zinc/55/55/18/1303555518.db2.gz IVPJMXFKMLQGRB-KRWDZBQOSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281484942 1303555521 /nfs/dbraw/zinc/55/55/21/1303555521.db2.gz IVPJMXFKMLQGRB-KRWDZBQOSA-N 2 1 339.524 2.258 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001278532649 1317161593 /nfs/dbraw/zinc/16/15/93/1317161593.db2.gz HBLVYWBGUKYWAQ-MISYRCLQSA-N 2 1 341.499 2.057 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001278667641 1317608306 /nfs/dbraw/zinc/60/83/06/1317608306.db2.gz HFOWHVJVZRCVPH-LPHOPBHVSA-N 2 1 330.476 2.240 10 30 EEEEMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001278685157 1317707453 /nfs/dbraw/zinc/70/74/53/1317707453.db2.gz SXPXJTLLPRSUKI-MSOLQXFVSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001264017712 1322585889 /nfs/dbraw/zinc/58/58/89/1322585889.db2.gz LBLSHOCYATZJLV-GUDVDZBRSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001264996236 1322844514 /nfs/dbraw/zinc/84/45/14/1322844514.db2.gz FLJFEHHNJVXNGS-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001264996236 1322844520 /nfs/dbraw/zinc/84/45/20/1322844520.db2.gz FLJFEHHNJVXNGS-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001264996236 1322844522 /nfs/dbraw/zinc/84/45/22/1322844522.db2.gz FLJFEHHNJVXNGS-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001264996236 1322844527 /nfs/dbraw/zinc/84/45/27/1322844527.db2.gz FLJFEHHNJVXNGS-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265503438 1323186539 /nfs/dbraw/zinc/18/65/39/1323186539.db2.gz VCSGWCDTFCOOHO-WGSAOQKQSA-N 2 1 327.472 2.007 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957200 1325534558 /nfs/dbraw/zinc/53/45/58/1325534558.db2.gz PMTNMNIJKJCFNX-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957200 1325534565 /nfs/dbraw/zinc/53/45/65/1325534565.db2.gz PMTNMNIJKJCFNX-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283260189 1325976184 /nfs/dbraw/zinc/97/61/84/1325976184.db2.gz MEYMWEVHWXBREZ-VQIMIIECSA-N 2 1 342.487 2.275 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491896885 1330294353 /nfs/dbraw/zinc/29/43/53/1330294353.db2.gz QKBMGKUYHKVIMP-OALUTQOASA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491896885 1330294355 /nfs/dbraw/zinc/29/43/55/1330294355.db2.gz QKBMGKUYHKVIMP-OALUTQOASA-N 2 1 327.472 2.159 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CCC(F)(F)F)C(C)C ZINC001317689151 1332375370 /nfs/dbraw/zinc/37/53/70/1332375370.db2.gz WZWFDSXTHJWREF-HNNXBMFYSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CCC(F)(F)F)C(C)C ZINC001317689151 1332375373 /nfs/dbraw/zinc/37/53/73/1332375373.db2.gz WZWFDSXTHJWREF-HNNXBMFYSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(F)(F)F)C(C)C ZINC001317689151 1332375377 /nfs/dbraw/zinc/37/53/77/1332375377.db2.gz WZWFDSXTHJWREF-HNNXBMFYSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(F)(F)F)C(C)C ZINC001317689151 1332375379 /nfs/dbraw/zinc/37/53/79/1332375379.db2.gz WZWFDSXTHJWREF-HNNXBMFYSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319197614 1332664115 /nfs/dbraw/zinc/66/41/15/1332664115.db2.gz QBIFTIKEMBPBTO-PJKWBFRZSA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319197614 1332664117 /nfs/dbraw/zinc/66/41/17/1332664117.db2.gz QBIFTIKEMBPBTO-PJKWBFRZSA-N 2 1 339.483 2.139 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001323159352 1333400086 /nfs/dbraw/zinc/40/00/86/1333400086.db2.gz LBYRFSBIXZFJLP-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCC(F)(F)F)CC1 ZINC001323459901 1333468035 /nfs/dbraw/zinc/46/80/35/1333468035.db2.gz NKHFFQNIIAPCTO-AWEZNQCLSA-N 2 1 345.409 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCC(F)(F)F)CC1 ZINC001323459901 1333468036 /nfs/dbraw/zinc/46/80/36/1333468036.db2.gz NKHFFQNIIAPCTO-AWEZNQCLSA-N 2 1 345.409 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001324481694 1333691741 /nfs/dbraw/zinc/69/17/41/1333691741.db2.gz HPZFJIANJYKLIE-OGNIYVCYSA-N 2 1 337.895 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001324481694 1333691744 /nfs/dbraw/zinc/69/17/44/1333691744.db2.gz HPZFJIANJYKLIE-OGNIYVCYSA-N 2 1 337.895 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C/C=C/Cl)CC1 ZINC001324867263 1333776880 /nfs/dbraw/zinc/77/68/80/1333776880.db2.gz AFMWSKCCQGARFU-RDTXFTJFSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C/C=C/Cl)CC1 ZINC001324867263 1333776885 /nfs/dbraw/zinc/77/68/85/1333776885.db2.gz AFMWSKCCQGARFU-RDTXFTJFSA-N 2 1 337.895 2.055 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001326419894 1334090280 /nfs/dbraw/zinc/09/02/80/1334090280.db2.gz UIXQSZUSZZTLKC-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676018864 1357090437 /nfs/dbraw/zinc/09/04/37/1357090437.db2.gz VASZGCRGNKFFLU-RHSMWYFYSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553416 1343084071 /nfs/dbraw/zinc/08/40/71/1343084071.db2.gz OJOYXPFXWOANGA-IBGZPJMESA-N 2 1 345.531 2.302 10 30 EEEEMP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC001571502098 1343220522 /nfs/dbraw/zinc/22/05/22/1343220522.db2.gz ZZIZTDVGQOYHHR-CMKODMSKSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001571502098 1343220523 /nfs/dbraw/zinc/22/05/23/1343220523.db2.gz ZZIZTDVGQOYHHR-CMKODMSKSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001571502098 1343220524 /nfs/dbraw/zinc/22/05/24/1343220524.db2.gz ZZIZTDVGQOYHHR-CMKODMSKSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001677018977 1357263367 /nfs/dbraw/zinc/26/33/67/1357263367.db2.gz NRKIQRVIRJERLM-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001656345994 1354224664 /nfs/dbraw/zinc/22/46/64/1354224664.db2.gz HSPOPVUYGQLBDU-YESZJQIVSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001656976084 1354306204 /nfs/dbraw/zinc/30/62/04/1354306204.db2.gz TWKDKPVHZPUQMY-WBVHZDCISA-N 2 1 339.443 2.426 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001661318019 1354628078 /nfs/dbraw/zinc/62/80/78/1354628078.db2.gz RXGJZBKCTKVMAB-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663317175 1354947072 /nfs/dbraw/zinc/94/70/72/1354947072.db2.gz BLGBNWBHYGZFRJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663317175 1354947076 /nfs/dbraw/zinc/94/70/76/1354947076.db2.gz BLGBNWBHYGZFRJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663317175 1354947078 /nfs/dbraw/zinc/94/70/78/1354947078.db2.gz BLGBNWBHYGZFRJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663317175 1354947082 /nfs/dbraw/zinc/94/70/82/1354947082.db2.gz BLGBNWBHYGZFRJ-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001664894418 1355254554 /nfs/dbraw/zinc/25/45/54/1355254554.db2.gz VBRWMQJNAQURCD-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001664894418 1355254559 /nfs/dbraw/zinc/25/45/59/1355254559.db2.gz VBRWMQJNAQURCD-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001664894418 1355254564 /nfs/dbraw/zinc/25/45/64/1355254564.db2.gz VBRWMQJNAQURCD-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665715377 1355371794 /nfs/dbraw/zinc/37/17/94/1355371794.db2.gz PHYQZWOELAQRSN-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665715377 1355371799 /nfs/dbraw/zinc/37/17/99/1355371799.db2.gz PHYQZWOELAQRSN-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001666382611 1355520354 /nfs/dbraw/zinc/52/03/54/1355520354.db2.gz LSWZKSFCKZFIGM-UHFFFAOYSA-N 2 1 330.476 2.213 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666458812 1355529360 /nfs/dbraw/zinc/52/93/60/1355529360.db2.gz VQRNJXKLYVPCOJ-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001668867798 1356028544 /nfs/dbraw/zinc/02/85/44/1356028544.db2.gz CBZQJAUDKRKBDC-YZKSSJSGSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001668867798 1356028551 /nfs/dbraw/zinc/02/85/51/1356028551.db2.gz CBZQJAUDKRKBDC-YZKSSJSGSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671912507 1356437415 /nfs/dbraw/zinc/43/74/15/1356437415.db2.gz OETGTICUNICFMC-FQEVSTJZSA-N 2 1 327.472 2.213 10 30 EEEEMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001674272212 1356809930 /nfs/dbraw/zinc/80/99/30/1356809930.db2.gz UFWIMFMOPNRZAO-LJQANCHMSA-N 2 1 327.472 2.374 10 30 EEEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001674272212 1356809932 /nfs/dbraw/zinc/80/99/32/1356809932.db2.gz UFWIMFMOPNRZAO-LJQANCHMSA-N 2 1 327.472 2.374 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001675048894 1356929040 /nfs/dbraw/zinc/92/90/40/1356929040.db2.gz HIXBLTUCLOVFND-KRWDZBQOSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268686 1356956227 /nfs/dbraw/zinc/95/62/27/1356956227.db2.gz DTXQMUWIFTVTNO-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268686 1356956228 /nfs/dbraw/zinc/95/62/28/1356956228.db2.gz DTXQMUWIFTVTNO-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445396 /nfs/dbraw/zinc/44/53/96/779445396.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445400 /nfs/dbraw/zinc/44/54/00/779445400.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445406 /nfs/dbraw/zinc/44/54/06/779445406.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795031 1088362856 /nfs/dbraw/zinc/36/28/56/1088362856.db2.gz GZPOYIVQYTYBEM-MOPGFXCFSA-N 2 1 340.471 2.027 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001437005666 1088772626 /nfs/dbraw/zinc/77/26/26/1088772626.db2.gz CEYBIGPPACPLFQ-JYJNAYRXSA-N 2 1 327.900 2.297 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)C1 ZINC001439240713 1091888076 /nfs/dbraw/zinc/88/80/76/1091888076.db2.gz BHZCUZOJUSOWIZ-LPHOPBHVSA-N 2 1 342.487 2.275 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001448711633 1093781544 /nfs/dbraw/zinc/78/15/44/1093781544.db2.gz SHAODEVEWRHJKP-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001441434785 1095039016 /nfs/dbraw/zinc/03/90/16/1095039016.db2.gz NAMLXGXINYKOHQ-IRXDYDNUSA-N 2 1 346.500 2.041 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001441936013 1096127783 /nfs/dbraw/zinc/12/77/83/1096127783.db2.gz FUAGLCHNJJJEGJ-YCPHGPKFSA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442338984 1096661208 /nfs/dbraw/zinc/66/12/08/1096661208.db2.gz OKPRMMIPXNHQFQ-CQSZACIVSA-N 2 1 334.439 2.022 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001443242490 1097713084 /nfs/dbraw/zinc/71/30/84/1097713084.db2.gz JCJLMROGDAKWJJ-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001443242490 1097713090 /nfs/dbraw/zinc/71/30/90/1097713090.db2.gz JCJLMROGDAKWJJ-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001443242490 1097713092 /nfs/dbraw/zinc/71/30/92/1097713092.db2.gz JCJLMROGDAKWJJ-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001479636521 1098664764 /nfs/dbraw/zinc/66/47/64/1098664764.db2.gz BUOYWFVMLHFNNO-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001480187504 1099782161 /nfs/dbraw/zinc/78/21/61/1099782161.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187504 1099782166 /nfs/dbraw/zinc/78/21/66/1099782166.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187504 1099782175 /nfs/dbraw/zinc/78/21/75/1099782175.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC=C(C)C)CC1 ZINC001495414622 1101134709 /nfs/dbraw/zinc/13/47/09/1101134709.db2.gz CKMGWOXAZWCWKB-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC=C(C)C)CC1 ZINC001495414622 1101134714 /nfs/dbraw/zinc/13/47/14/1101134714.db2.gz CKMGWOXAZWCWKB-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603449 1101204382 /nfs/dbraw/zinc/20/43/82/1101204382.db2.gz ROVQIEJUELNTTR-APWZRJJASA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1C#N ZINC001495732952 1101500303 /nfs/dbraw/zinc/50/03/03/1101500303.db2.gz ZVEMGRMWGDOGGN-IKGGRYGDSA-N 2 1 342.487 2.130 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810543 1101625981 /nfs/dbraw/zinc/62/59/81/1101625981.db2.gz BMUWKZUJEVMTSN-MRXNPFEDSA-N 2 1 349.906 2.374 10 30 EEEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969243 1103224638 /nfs/dbraw/zinc/22/46/38/1103224638.db2.gz YKDYNVWSVHHLKH-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969243 1103224648 /nfs/dbraw/zinc/22/46/48/1103224648.db2.gz YKDYNVWSVHHLKH-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493969243 1103224657 /nfs/dbraw/zinc/22/46/57/1103224657.db2.gz YKDYNVWSVHHLKH-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493969243 1103224664 /nfs/dbraw/zinc/22/46/64/1103224664.db2.gz YKDYNVWSVHHLKH-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493977955 1103245118 /nfs/dbraw/zinc/24/51/18/1103245118.db2.gz PTJZHJFJDJHOMZ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493977955 1103245124 /nfs/dbraw/zinc/24/51/24/1103245124.db2.gz PTJZHJFJDJHOMZ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001493977955 1103245134 /nfs/dbraw/zinc/24/51/34/1103245134.db2.gz PTJZHJFJDJHOMZ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001493977955 1103245140 /nfs/dbraw/zinc/24/51/40/1103245140.db2.gz PTJZHJFJDJHOMZ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493977954 1103247079 /nfs/dbraw/zinc/24/70/79/1103247079.db2.gz PTJZHJFJDJHOMZ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493977954 1103247087 /nfs/dbraw/zinc/24/70/87/1103247087.db2.gz PTJZHJFJDJHOMZ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001493977954 1103247092 /nfs/dbraw/zinc/24/70/92/1103247092.db2.gz PTJZHJFJDJHOMZ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001493977954 1103247099 /nfs/dbraw/zinc/24/70/99/1103247099.db2.gz PTJZHJFJDJHOMZ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001495098303 1104738643 /nfs/dbraw/zinc/73/86/43/1104738643.db2.gz NWNZVUZEMMHECC-ICSRJNTNSA-N 2 1 340.471 2.029 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805084 1107148266 /nfs/dbraw/zinc/14/82/66/1107148266.db2.gz DUORSGQMIBCTFY-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300716 1107246383 /nfs/dbraw/zinc/24/63/83/1107246383.db2.gz QZVIICQFVAYBFR-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300716 1107246390 /nfs/dbraw/zinc/24/63/90/1107246390.db2.gz QZVIICQFVAYBFR-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498300716 1107246397 /nfs/dbraw/zinc/24/63/97/1107246397.db2.gz QZVIICQFVAYBFR-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498300716 1107246407 /nfs/dbraw/zinc/24/64/07/1107246407.db2.gz QZVIICQFVAYBFR-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477976 1112308188 /nfs/dbraw/zinc/30/81/88/1112308188.db2.gz KXVZQDBYIIHIRA-ROUUACIJSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001501663070 1113421849 /nfs/dbraw/zinc/42/18/49/1113421849.db2.gz LUHKBJVNSRZKMA-FQEVSTJZSA-N 2 1 339.483 2.100 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001501857028 1113499419 /nfs/dbraw/zinc/49/94/19/1113499419.db2.gz YTJAGRVFKLAQOD-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503689988 1113899331 /nfs/dbraw/zinc/89/93/31/1113899331.db2.gz CPDKZNNTUOZGJG-VQTJNVASSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001506986074 1115032918 /nfs/dbraw/zinc/03/29/18/1115032918.db2.gz YUBKHUXAZSOEOG-IEBWSBKVSA-N 2 1 333.520 2.395 10 30 EEEEMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001567990438 1124219667 /nfs/dbraw/zinc/21/96/67/1124219667.db2.gz HROVOGIXMZGCMP-SFHVURJKSA-N 2 1 333.451 2.002 10 30 EEEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001568026552 1124237176 /nfs/dbraw/zinc/23/71/76/1124237176.db2.gz TYXXHBHJHHSOMQ-DNVCBOLYSA-N 2 1 330.476 2.205 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568279102 1124401256 /nfs/dbraw/zinc/40/12/56/1124401256.db2.gz IWGIIWASYBKMDE-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001565885305 1125449465 /nfs/dbraw/zinc/44/94/65/1125449465.db2.gz WCPAKKRHOOXBSJ-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001565885305 1125449469 /nfs/dbraw/zinc/44/94/69/1125449469.db2.gz WCPAKKRHOOXBSJ-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001565885305 1125449473 /nfs/dbraw/zinc/44/94/73/1125449473.db2.gz WCPAKKRHOOXBSJ-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836425 781922723 /nfs/dbraw/zinc/92/27/23/781922723.db2.gz PVXOOWYVTBOFNA-OAHLLOKOSA-N 2 1 340.475 2.260 10 30 EEEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000156185518 462990511 /nfs/dbraw/zinc/99/05/11/462990511.db2.gz NYQDKXZPZFQPEZ-QGZVFWFLSA-N 2 1 345.487 2.352 10 30 EEEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658768 463296946 /nfs/dbraw/zinc/29/69/46/463296946.db2.gz XCDFVWXVUXSTAC-MRXNPFEDSA-N 2 1 340.471 2.336 10 30 EEEEMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccccn3)CC2)cs1 ZINC000262520830 464031563 /nfs/dbraw/zinc/03/15/63/464031563.db2.gz IFGLBZSSHQJKSU-UHFFFAOYSA-N 2 1 344.488 2.485 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000594424660 468582424 /nfs/dbraw/zinc/58/24/24/468582424.db2.gz HMGQCXLYMMTVKL-SFHVURJKSA-N 2 1 328.460 2.132 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697826 472213221 /nfs/dbraw/zinc/21/32/21/472213221.db2.gz CJYOHCHLUQWBSS-UZLBHIALSA-N 2 1 327.472 2.248 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485754345 1191923734 /nfs/dbraw/zinc/92/37/34/1191923734.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485754345 1191923738 /nfs/dbraw/zinc/92/37/38/1191923738.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485754345 1191923741 /nfs/dbraw/zinc/92/37/41/1191923741.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001266285461 1176104406 /nfs/dbraw/zinc/10/44/06/1176104406.db2.gz ZCXSZDHINLBFQO-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001266285461 1176104411 /nfs/dbraw/zinc/10/44/11/1176104411.db2.gz ZCXSZDHINLBFQO-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001266285461 1176104414 /nfs/dbraw/zinc/10/44/14/1176104414.db2.gz ZCXSZDHINLBFQO-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001266285461 1176104418 /nfs/dbraw/zinc/10/44/18/1176104418.db2.gz ZCXSZDHINLBFQO-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001670523269 1176864524 /nfs/dbraw/zinc/86/45/24/1176864524.db2.gz VWLIBVUDSFWEAC-CEXWTWQISA-N 2 1 327.472 2.002 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266787001 1177428008 /nfs/dbraw/zinc/42/80/08/1177428008.db2.gz RGAOUTTYZPABBA-OALUTQOASA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001691403942 1178014027 /nfs/dbraw/zinc/01/40/27/1178014027.db2.gz DRFNJUGQVLHWHG-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001267327434 1178763002 /nfs/dbraw/zinc/76/30/02/1178763002.db2.gz NDGOZJCQUOZZHU-IBGZPJMESA-N 2 1 343.515 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001267327434 1178763004 /nfs/dbraw/zinc/76/30/04/1178763004.db2.gz NDGOZJCQUOZZHU-IBGZPJMESA-N 2 1 343.515 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001267327434 1178763007 /nfs/dbraw/zinc/76/30/07/1178763007.db2.gz NDGOZJCQUOZZHU-IBGZPJMESA-N 2 1 343.515 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001267327434 1178763012 /nfs/dbraw/zinc/76/30/12/1178763012.db2.gz NDGOZJCQUOZZHU-IBGZPJMESA-N 2 1 343.515 2.245 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001267549367 1179335604 /nfs/dbraw/zinc/33/56/04/1179335604.db2.gz DGHUUDCZPHLMQZ-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001267602630 1179663975 /nfs/dbraw/zinc/66/39/75/1179663975.db2.gz HTCFEZJRBJQYSH-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267602630 1179663978 /nfs/dbraw/zinc/66/39/78/1179663978.db2.gz HTCFEZJRBJQYSH-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001267602630 1179663983 /nfs/dbraw/zinc/66/39/83/1179663983.db2.gz HTCFEZJRBJQYSH-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001481334900 1181059771 /nfs/dbraw/zinc/05/97/71/1181059771.db2.gz BECLEYQNZYVSKU-PKOBYXMFSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481513929 1181612842 /nfs/dbraw/zinc/61/28/42/1181612842.db2.gz LSXUQSDPQYIQDY-LJQANCHMSA-N 2 1 333.520 2.465 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001481871129 1182832089 /nfs/dbraw/zinc/83/20/89/1182832089.db2.gz UZAZRUCVSJDRLQ-GOSISDBHSA-N 2 1 333.451 2.003 10 30 EEEEMP C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001269838665 1184657858 /nfs/dbraw/zinc/65/78/58/1184657858.db2.gz HXZUHBMUSSNXNM-QFBILLFUSA-N 2 1 349.519 2.127 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001271878278 1186572579 /nfs/dbraw/zinc/57/25/79/1186572579.db2.gz RAAZOWNPXITIJF-RTBURBONSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001670924001 1193528463 /nfs/dbraw/zinc/52/84/63/1193528463.db2.gz REWITUBQDIVXRE-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670924001 1193528465 /nfs/dbraw/zinc/52/84/65/1193528465.db2.gz REWITUBQDIVXRE-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001670924001 1193528466 /nfs/dbraw/zinc/52/84/66/1193528466.db2.gz REWITUBQDIVXRE-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001484000696 1191150627 /nfs/dbraw/zinc/15/06/27/1191150627.db2.gz IUZRFYNXSPVZCQ-OALUTQOASA-N 2 1 331.504 2.291 10 30 EEEEMP C=CC[NH+]1CCC(C)(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001484141282 1191236838 /nfs/dbraw/zinc/23/68/38/1191236838.db2.gz BXEYHQAKJJGOMF-UHFFFAOYSA-N 2 1 346.475 2.288 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001484470592 1191374981 /nfs/dbraw/zinc/37/49/81/1191374981.db2.gz KSLDMIOTCQNGDW-GVDBMIGSSA-N 2 1 325.472 2.165 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688929 1191481748 /nfs/dbraw/zinc/48/17/48/1191481748.db2.gz UEESUJLUMUTTJD-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001486180237 1193717432 /nfs/dbraw/zinc/71/74/32/1193717432.db2.gz LECSDWKEZUOBID-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001486180237 1193717434 /nfs/dbraw/zinc/71/74/34/1193717434.db2.gz LECSDWKEZUOBID-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001410380773 1197776453 /nfs/dbraw/zinc/77/64/53/1197776453.db2.gz MGPOAXPMOOZRPA-KBPBESRZSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001691695621 1199084909 /nfs/dbraw/zinc/08/49/09/1199084909.db2.gz DSOAVHBAWPUTFW-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001691695621 1199084913 /nfs/dbraw/zinc/08/49/13/1199084913.db2.gz DSOAVHBAWPUTFW-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[C@H]1CC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000877651065 1200007002 /nfs/dbraw/zinc/00/70/02/1200007002.db2.gz RIDNICTVOWEEDL-SFHVURJKSA-N 2 1 328.456 2.243 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666784 1201574453 /nfs/dbraw/zinc/57/44/53/1201574453.db2.gz WSRXDICIMXBYBZ-QRVBRYPASA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666784 1201574455 /nfs/dbraw/zinc/57/44/55/1201574455.db2.gz WSRXDICIMXBYBZ-QRVBRYPASA-N 2 1 341.455 2.484 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275042984 1205242762 /nfs/dbraw/zinc/24/27/62/1205242762.db2.gz UFNCSKYTPGRYKO-KRWDZBQOSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275081328 1205250887 /nfs/dbraw/zinc/25/08/87/1205250887.db2.gz UQDCNLOAJQBUBH-AQNXPRMDSA-N 2 1 339.483 2.112 10 30 EEEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001275279559 1205297473 /nfs/dbraw/zinc/29/74/73/1205297473.db2.gz XNKCRHHETDQSJV-TVPLGVNVSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001273599456 1280826862 /nfs/dbraw/zinc/82/68/62/1280826862.db2.gz RINLNWALFARJEP-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599456 1280826876 /nfs/dbraw/zinc/82/68/76/1280826876.db2.gz RINLNWALFARJEP-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599456 1280826887 /nfs/dbraw/zinc/82/68/87/1280826887.db2.gz RINLNWALFARJEP-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC001198027029 1284946863 /nfs/dbraw/zinc/94/68/63/1284946863.db2.gz MKBCGQAVBYFJRM-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC001198027029 1284946866 /nfs/dbraw/zinc/94/68/66/1284946866.db2.gz MKBCGQAVBYFJRM-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(C)C ZINC001198027029 1284946869 /nfs/dbraw/zinc/94/68/69/1284946869.db2.gz MKBCGQAVBYFJRM-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(C)C ZINC001198027029 1284946875 /nfs/dbraw/zinc/94/68/75/1284946875.db2.gz MKBCGQAVBYFJRM-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498470 /nfs/dbraw/zinc/49/84/70/1290498470.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498476 /nfs/dbraw/zinc/49/84/76/1290498476.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498478 /nfs/dbraw/zinc/49/84/78/1290498478.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001278607070 1317347436 /nfs/dbraw/zinc/34/74/36/1317347436.db2.gz CLYLXPBLUBEOQC-SFHVURJKSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401208 1323132689 /nfs/dbraw/zinc/13/26/89/1323132689.db2.gz NDJSRCJBOOEMIE-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266083134 1323640672 /nfs/dbraw/zinc/64/06/72/1323640672.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266083134 1323640678 /nfs/dbraw/zinc/64/06/78/1323640678.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266083134 1323640686 /nfs/dbraw/zinc/64/06/86/1323640686.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 2 1 325.472 2.050 10 30 EEEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722917 1323986133 /nfs/dbraw/zinc/98/61/33/1323986133.db2.gz PBXUFFBYCWIJSB-INIZCTEOSA-N 2 1 333.451 2.449 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610796 1324776453 /nfs/dbraw/zinc/77/64/53/1324776453.db2.gz DVYNHGHYPOTCCP-VQTJNVASSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C\CCC)C1 ZINC001491811479 1330278571 /nfs/dbraw/zinc/27/85/71/1330278571.db2.gz FDFYCPBJDXJXEF-MGBKSAOESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C\CCC)C1 ZINC001491811479 1330278574 /nfs/dbraw/zinc/27/85/74/1330278574.db2.gz FDFYCPBJDXJXEF-MGBKSAOESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316955109 1332015056 /nfs/dbraw/zinc/01/50/56/1332015056.db2.gz PPMRNEGMGBQADL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316955109 1332015058 /nfs/dbraw/zinc/01/50/58/1332015058.db2.gz PPMRNEGMGBQADL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955109 1332015062 /nfs/dbraw/zinc/01/50/62/1332015062.db2.gz PPMRNEGMGBQADL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955109 1332015065 /nfs/dbraw/zinc/01/50/65/1332015065.db2.gz PPMRNEGMGBQADL-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854610 1332432658 /nfs/dbraw/zinc/43/26/58/1332432658.db2.gz QMEDFUSTGBLYGF-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854610 1332432659 /nfs/dbraw/zinc/43/26/59/1332432659.db2.gz QMEDFUSTGBLYGF-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570706 1332562396 /nfs/dbraw/zinc/56/23/96/1332562396.db2.gz PUAHOZDHHHCNMF-APWZRJJASA-N 2 1 345.462 2.003 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686299 1332577170 /nfs/dbraw/zinc/57/71/70/1332577170.db2.gz JRHSCRZPNNEYDF-PZJWPPBQSA-N 2 1 339.483 2.007 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686297 1332577195 /nfs/dbraw/zinc/57/71/95/1332577195.db2.gz JRHSCRZPNNEYDF-FPOVZHCZSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001325679502 1333939336 /nfs/dbraw/zinc/93/93/36/1333939336.db2.gz KMSCOHREPFKQAR-BJLQDIEVSA-N 2 1 341.499 2.435 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001328467850 1334463299 /nfs/dbraw/zinc/46/32/99/1334463299.db2.gz HEMCQSUKLWKGIY-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001328812419 1334528214 /nfs/dbraw/zinc/52/82/14/1334528214.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328812419 1334528216 /nfs/dbraw/zinc/52/82/16/1334528216.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328812419 1334528218 /nfs/dbraw/zinc/52/82/18/1334528218.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+](CC[C@@H]1CCOC1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001330719885 1334890712 /nfs/dbraw/zinc/89/07/12/1334890712.db2.gz FXSQKVFLUKBWCQ-RTBURBONSA-N 2 1 334.504 2.239 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001330926083 1334928038 /nfs/dbraw/zinc/92/80/38/1334928038.db2.gz HIWNAXQXCPWBAG-RLLQIKCJSA-N 2 1 341.499 2.230 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C/C=C/Cl)C2CC2)CC1 ZINC001566604364 1342576835 /nfs/dbraw/zinc/57/68/35/1342576835.db2.gz WXNTVUPCEYNYPQ-YCRREMRBSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001676365393 1357141156 /nfs/dbraw/zinc/14/11/56/1357141156.db2.gz WYZOKVRWLFCZDX-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001676365393 1357141160 /nfs/dbraw/zinc/14/11/60/1357141160.db2.gz WYZOKVRWLFCZDX-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001666347542 1355514602 /nfs/dbraw/zinc/51/46/02/1355514602.db2.gz NETWIWRNJKQMNA-FQEVSTJZSA-N 2 1 327.472 2.454 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001667197191 1355670105 /nfs/dbraw/zinc/67/01/05/1355670105.db2.gz GXKPCRAIFQVMFN-IRXDYDNUSA-N 2 1 348.491 2.036 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001671784730 1356413940 /nfs/dbraw/zinc/41/39/40/1356413940.db2.gz KSCGFMBSIKDEIA-OALUTQOASA-N 2 1 337.483 2.050 10 30 EEEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001673439274 1356690977 /nfs/dbraw/zinc/69/09/77/1356690977.db2.gz NECCVCIJQZFEFR-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1 ZINC001673444816 1356690937 /nfs/dbraw/zinc/69/09/37/1356690937.db2.gz AIHCGUPLXMZZNQ-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC001673444816 1356690940 /nfs/dbraw/zinc/69/09/40/1356690940.db2.gz AIHCGUPLXMZZNQ-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(F)c1 ZINC001673444816 1356690942 /nfs/dbraw/zinc/69/09/42/1356690942.db2.gz AIHCGUPLXMZZNQ-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(F)c1 ZINC001673444816 1356690945 /nfs/dbraw/zinc/69/09/45/1356690945.db2.gz AIHCGUPLXMZZNQ-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001673439274 1356690972 /nfs/dbraw/zinc/69/09/72/1356690972.db2.gz NECCVCIJQZFEFR-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001673439274 1356690974 /nfs/dbraw/zinc/69/09/74/1356690974.db2.gz NECCVCIJQZFEFR-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001673439274 1356690980 /nfs/dbraw/zinc/69/09/80/1356690980.db2.gz NECCVCIJQZFEFR-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001699976095 1405615285 /nfs/dbraw/zinc/61/52/85/1405615285.db2.gz NOHRIXOSTNHLCX-ZJPYXAASSA-N 2 1 342.487 2.389 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001699976095 1405615292 /nfs/dbraw/zinc/61/52/92/1405615292.db2.gz NOHRIXOSTNHLCX-ZJPYXAASSA-N 2 1 342.487 2.389 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743525 779230641 /nfs/dbraw/zinc/23/06/41/779230641.db2.gz CCPHQIVFQIRMCZ-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743525 779230649 /nfs/dbraw/zinc/23/06/49/779230649.db2.gz CCPHQIVFQIRMCZ-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743525 779230655 /nfs/dbraw/zinc/23/06/55/779230655.db2.gz CCPHQIVFQIRMCZ-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000906451247 783923660 /nfs/dbraw/zinc/92/36/60/783923660.db2.gz CDJLWUSGQHJPGC-SFHVURJKSA-N 2 1 347.890 2.499 10 30 EEEEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906677408 784073705 /nfs/dbraw/zinc/07/37/05/784073705.db2.gz LBCZZCHPAKKEPU-LBXVMSDZSA-N 2 1 346.519 2.191 10 30 EEEEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906677408 784073707 /nfs/dbraw/zinc/07/37/07/784073707.db2.gz LBCZZCHPAKKEPU-LBXVMSDZSA-N 2 1 346.519 2.191 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001566537242 1125706986 /nfs/dbraw/zinc/70/69/86/1125706986.db2.gz LEUKJIZFTDMTMF-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001566537242 1125706995 /nfs/dbraw/zinc/70/69/95/1125706995.db2.gz LEUKJIZFTDMTMF-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001437002012 1088762124 /nfs/dbraw/zinc/76/21/24/1088762124.db2.gz KJDMQYXCACJBEA-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001437002012 1088762136 /nfs/dbraw/zinc/76/21/36/1088762136.db2.gz KJDMQYXCACJBEA-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001437002012 1088762151 /nfs/dbraw/zinc/76/21/51/1088762151.db2.gz KJDMQYXCACJBEA-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310934 1090788694 /nfs/dbraw/zinc/78/86/94/1090788694.db2.gz NCTSQWADWLEMBX-OALUTQOASA-N 2 1 342.487 2.417 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC001440189229 1093252622 /nfs/dbraw/zinc/25/26/22/1093252622.db2.gz IOFZZNRWUOAICJ-RBUKOAKNSA-N 2 1 340.471 2.075 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001442262391 1096565909 /nfs/dbraw/zinc/56/59/09/1096565909.db2.gz VJDLACYPVOTSPJ-UHFFFAOYSA-N 2 1 346.450 2.117 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001495211600 1100895147 /nfs/dbraw/zinc/89/51/47/1100895147.db2.gz OWDGDRIYIOVCIW-UHFFFAOYSA-N 2 1 327.472 2.160 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001495211600 1100895154 /nfs/dbraw/zinc/89/51/54/1100895154.db2.gz OWDGDRIYIOVCIW-UHFFFAOYSA-N 2 1 327.472 2.160 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001497200225 1102113745 /nfs/dbraw/zinc/11/37/45/1102113745.db2.gz ZCLKIGLEUFANEN-ZIAGYGMSSA-N 2 1 346.313 2.254 10 30 EEEEMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001497500298 1102588595 /nfs/dbraw/zinc/58/85/95/1102588595.db2.gz FEOKJAYJTWKGQI-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1F ZINC001497600622 1102730081 /nfs/dbraw/zinc/73/00/81/1102730081.db2.gz KWDNABSLHAPTLY-WENXUGBFSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1F ZINC001497600622 1102730090 /nfs/dbraw/zinc/73/00/90/1102730090.db2.gz KWDNABSLHAPTLY-WENXUGBFSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180162 1103655514 /nfs/dbraw/zinc/65/55/14/1103655514.db2.gz XXZGXTLJXYMLMT-IEBWSBKVSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180162 1103655519 /nfs/dbraw/zinc/65/55/19/1103655519.db2.gz XXZGXTLJXYMLMT-IEBWSBKVSA-N 2 1 327.472 2.093 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494864811 1104472009 /nfs/dbraw/zinc/47/20/09/1104472009.db2.gz YYZWYJMSXSSEJJ-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494864811 1104472011 /nfs/dbraw/zinc/47/20/11/1104472011.db2.gz YYZWYJMSXSSEJJ-SFHVURJKSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001480715490 1106945849 /nfs/dbraw/zinc/94/58/49/1106945849.db2.gz ZKHNQSWDBBDTMG-UXHICEINSA-N 2 1 339.483 2.085 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001479439932 1110696365 /nfs/dbraw/zinc/69/63/65/1110696365.db2.gz XDMFSLGNVHCLEG-XUVXKRRUSA-N 2 1 339.483 2.007 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001499330682 1112236807 /nfs/dbraw/zinc/23/68/07/1112236807.db2.gz URHIOEBONYAEBC-ZBFHGGJFSA-N 2 1 330.476 2.347 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001502125688 1113602615 /nfs/dbraw/zinc/60/26/15/1113602615.db2.gz IMEQAQDRPMIYPR-SFHVURJKSA-N 2 1 349.519 2.036 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001502342479 1113636801 /nfs/dbraw/zinc/63/68/01/1113636801.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001502342479 1113636803 /nfs/dbraw/zinc/63/68/03/1113636803.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001502342479 1113636806 /nfs/dbraw/zinc/63/68/06/1113636806.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001502342479 1113636810 /nfs/dbraw/zinc/63/68/10/1113636810.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001502342479 1113636811 /nfs/dbraw/zinc/63/68/11/1113636811.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC[C@@H](C)F)CC1 ZINC001505465490 1114000375 /nfs/dbraw/zinc/00/03/75/1114000375.db2.gz IPZLGBJYACXMMO-AEFFLSMTSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001505789826 1114193804 /nfs/dbraw/zinc/19/38/04/1114193804.db2.gz CYGPVDFZQDQWKO-QLOJAFMTSA-N 2 1 349.519 2.034 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001506934321 1114984980 /nfs/dbraw/zinc/98/49/80/1114984980.db2.gz UIVJEXXFHOAQGW-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1 ZINC001568748842 1124763275 /nfs/dbraw/zinc/76/32/75/1124763275.db2.gz MBMYQGVZXZSQDS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1 ZINC001568748842 1124763281 /nfs/dbraw/zinc/76/32/81/1124763281.db2.gz MBMYQGVZXZSQDS-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569058707 1125071029 /nfs/dbraw/zinc/07/10/29/1125071029.db2.gz QOUKYRDEWNBOQH-HDMKZQKVSA-N 2 1 347.890 2.126 10 30 EEEEMP N#Cc1cccc(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000066533022 462900837 /nfs/dbraw/zinc/90/08/37/462900837.db2.gz XDRHBDNVCYRHCZ-UHFFFAOYSA-N 2 1 326.444 2.447 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179171983 464073147 /nfs/dbraw/zinc/07/31/47/464073147.db2.gz WJCXAAFSKLQSBQ-MOPGFXCFSA-N 2 1 342.487 2.381 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000247597920 464697403 /nfs/dbraw/zinc/69/74/03/464697403.db2.gz SWIVOBUZYNCXGX-ZWKOTPCHSA-N 2 1 334.508 2.175 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000176154242 464708662 /nfs/dbraw/zinc/70/86/62/464708662.db2.gz ZLDLCJDLCAJKTI-SFHVURJKSA-N 2 1 345.491 2.406 10 30 EEEEMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555593 467259294 /nfs/dbraw/zinc/25/92/94/467259294.db2.gz JBOZOJUIAFIYHZ-HDICACEKSA-N 2 1 336.520 2.484 10 30 EEEEMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555593 467259297 /nfs/dbraw/zinc/25/92/97/467259297.db2.gz JBOZOJUIAFIYHZ-HDICACEKSA-N 2 1 336.520 2.484 10 30 EEEEMP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555593 467259301 /nfs/dbraw/zinc/25/93/01/467259301.db2.gz JBOZOJUIAFIYHZ-HDICACEKSA-N 2 1 336.520 2.484 10 30 EEEEMP CCC[C@]1(CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@]1(CO)CCC ZINC000515470374 467993755 /nfs/dbraw/zinc/99/37/55/467993755.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP CCC[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@]1(CO)CCC ZINC000515470374 467993759 /nfs/dbraw/zinc/99/37/59/467993759.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262015179 682847643 /nfs/dbraw/zinc/84/76/43/682847643.db2.gz XOASTFJYFFGJMZ-GDBMZVCRSA-N 2 1 346.475 2.199 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001267104286 1178251767 /nfs/dbraw/zinc/25/17/67/1178251767.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001267104286 1178251774 /nfs/dbraw/zinc/25/17/74/1178251774.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001267104286 1178251780 /nfs/dbraw/zinc/25/17/80/1178251780.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001267104286 1178251785 /nfs/dbraw/zinc/25/17/85/1178251785.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001267104286 1178251792 /nfs/dbraw/zinc/25/17/92/1178251792.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C[NH+](C)CCC(=O)NCC[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001481183107 1180018204 /nfs/dbraw/zinc/01/82/04/1180018204.db2.gz KLVGLORPZPIKGW-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)NCC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001481183107 1180018209 /nfs/dbraw/zinc/01/82/09/1180018209.db2.gz KLVGLORPZPIKGW-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001267733337 1180327837 /nfs/dbraw/zinc/32/78/37/1180327837.db2.gz LETXBCYQXIMMGR-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001267733337 1180327844 /nfs/dbraw/zinc/32/78/44/1180327844.db2.gz LETXBCYQXIMMGR-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001267733337 1180327852 /nfs/dbraw/zinc/32/78/52/1180327852.db2.gz LETXBCYQXIMMGR-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001481871134 1182831775 /nfs/dbraw/zinc/83/17/75/1182831775.db2.gz UZAZRUCVSJDRLQ-SFHVURJKSA-N 2 1 333.451 2.003 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268631265 1183557090 /nfs/dbraw/zinc/55/70/90/1183557090.db2.gz ZPNPZILEIXVZMY-LIXSYLKWSA-N 2 1 340.471 2.195 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268631265 1183557093 /nfs/dbraw/zinc/55/70/93/1183557093.db2.gz ZPNPZILEIXVZMY-LIXSYLKWSA-N 2 1 340.471 2.195 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769991 1183688407 /nfs/dbraw/zinc/68/84/07/1183688407.db2.gz FBUKJJIZKLCLJH-DLBZAZTESA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001269356735 1184204669 /nfs/dbraw/zinc/20/46/69/1184204669.db2.gz UDEUWMZPQSINMB-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228877 1184351899 /nfs/dbraw/zinc/35/18/99/1184351899.db2.gz OZAVNEUSQBOKHF-GJZGRUSLSA-N 2 1 327.900 2.488 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269805237 1184633103 /nfs/dbraw/zinc/63/31/03/1184633103.db2.gz UUPUKVBLHKXGDS-HXUWFJFHSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269805237 1184633108 /nfs/dbraw/zinc/63/31/08/1184633108.db2.gz UUPUKVBLHKXGDS-HXUWFJFHSA-N 2 1 341.499 2.360 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001271069342 1185855028 /nfs/dbraw/zinc/85/50/28/1185855028.db2.gz ZUYPCNYTYNTYOX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001271112110 1185892511 /nfs/dbraw/zinc/89/25/11/1185892511.db2.gz HBKBVJDAOBRMKH-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001482479597 1186054755 /nfs/dbraw/zinc/05/47/55/1186054755.db2.gz CUGKIWQEUGBDJO-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001482479597 1186054758 /nfs/dbraw/zinc/05/47/58/1186054758.db2.gz CUGKIWQEUGBDJO-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001670989218 1193539782 /nfs/dbraw/zinc/53/97/82/1193539782.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 1 330.476 2.477 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CC(C)(C)C)cccc2C1 ZINC001272916734 1193602888 /nfs/dbraw/zinc/60/28/88/1193602888.db2.gz HJQNUBFJWYCGFT-UHFFFAOYSA-N 2 1 341.499 2.272 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483244501 1190273188 /nfs/dbraw/zinc/27/31/88/1190273188.db2.gz ZJMWXSBTHJOHAK-WMLDXEAASA-N 2 1 348.516 2.334 10 30 EEEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001483587540 1190573390 /nfs/dbraw/zinc/57/33/90/1190573390.db2.gz HPEBZBCOUXEBKS-QAPCUYQASA-N 2 1 325.472 2.259 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001486135860 1193691885 /nfs/dbraw/zinc/69/18/85/1193691885.db2.gz RJCLNMFWFJRHQG-LPHOPBHVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001483817606 1191045445 /nfs/dbraw/zinc/04/54/45/1191045445.db2.gz SHJIHDJUMWEUSX-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483943170 1191126078 /nfs/dbraw/zinc/12/60/78/1191126078.db2.gz UQGAJUIVLOZIEJ-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001484096832 1191209515 /nfs/dbraw/zinc/20/95/15/1191209515.db2.gz WCGDKMRVCMJGMD-PKOBYXMFSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001484096832 1191209518 /nfs/dbraw/zinc/20/95/18/1191209518.db2.gz WCGDKMRVCMJGMD-PKOBYXMFSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484385483 1191325829 /nfs/dbraw/zinc/32/58/29/1191325829.db2.gz JEIUXFVGBMMSTH-MJGOQNOKSA-N 2 1 329.488 2.379 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484385483 1191325830 /nfs/dbraw/zinc/32/58/30/1191325830.db2.gz JEIUXFVGBMMSTH-MJGOQNOKSA-N 2 1 329.488 2.379 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccsc2)CC1 ZINC001484769466 1191512367 /nfs/dbraw/zinc/51/23/67/1191512367.db2.gz VQAINGDDLVBFMK-UHFFFAOYSA-N 2 1 347.528 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771266 1191514001 /nfs/dbraw/zinc/51/40/01/1191514001.db2.gz QTIXMCIACGYWDE-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484820792 1191540058 /nfs/dbraw/zinc/54/00/58/1191540058.db2.gz FSMKXNBXLOWNFY-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001484833176 1191546462 /nfs/dbraw/zinc/54/64/62/1191546462.db2.gz YHWJEVLYOVLBHL-IBGZPJMESA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485057790 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OCEXKLMQJDGLLS-LBPRGKRZSA-N 2 1 337.811 2.214 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)sc1C ZINC001275573857 1205423002 /nfs/dbraw/zinc/42/30/02/1205423002.db2.gz JKJUPMDKJBNLLY-KDOFPFPSSA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)sc1C ZINC001275573857 1205423003 /nfs/dbraw/zinc/42/30/03/1205423003.db2.gz JKJUPMDKJBNLLY-KDOFPFPSSA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)sc1C ZINC001275573857 1205423004 /nfs/dbraw/zinc/42/30/04/1205423004.db2.gz JKJUPMDKJBNLLY-KDOFPFPSSA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)sc1C ZINC001275573857 1205423005 /nfs/dbraw/zinc/42/30/05/1205423005.db2.gz JKJUPMDKJBNLLY-KDOFPFPSSA-N 2 1 347.528 2.399 10 30 EEEEMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)CO2 ZINC001273714757 1283936889 /nfs/dbraw/zinc/93/68/89/1283936889.db2.gz ZCIHAEOSYBERPW-QGZVFWFLSA-N 2 1 349.519 2.034 10 30 EEEEMP 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10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001493584784 1108359142 /nfs/dbraw/zinc/35/91/42/1108359142.db2.gz OKRGECZIRGKJHN-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001493863308 1108755178 /nfs/dbraw/zinc/75/51/78/1108755178.db2.gz ADZSVQFQCUXFKL-UHFFFAOYSA-N 2 1 326.444 2.496 10 30 EEEEMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001499512369 1112331299 /nfs/dbraw/zinc/33/12/99/1112331299.db2.gz XBRDSIYIYDNGLX-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001499512369 1112331305 /nfs/dbraw/zinc/33/13/05/1112331305.db2.gz XBRDSIYIYDNGLX-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCc1ccccc1 ZINC001499512369 1112331309 /nfs/dbraw/zinc/33/13/09/1112331309.db2.gz XBRDSIYIYDNGLX-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCc1ccccc1 ZINC001499512369 1112331312 /nfs/dbraw/zinc/33/13/12/1112331312.db2.gz XBRDSIYIYDNGLX-UXHICEINSA-N 2 1 341.499 2.412 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500057515 1112596199 /nfs/dbraw/zinc/59/61/99/1112596199.db2.gz IMWPMIATUJJHEP-MRXNPFEDSA-N 2 1 330.476 2.164 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C(C)(C)C ZINC001508023157 1115390694 /nfs/dbraw/zinc/39/06/94/1115390694.db2.gz NQJHCAICUAGXBQ-LJQANCHMSA-N 2 1 343.515 2.305 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001568176605 1124340906 /nfs/dbraw/zinc/34/09/06/1124340906.db2.gz IUKVTDCARJBQQE-PXNSSMCTSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001568176605 1124340911 /nfs/dbraw/zinc/34/09/11/1124340911.db2.gz IUKVTDCARJBQQE-PXNSSMCTSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001569342352 1125242766 /nfs/dbraw/zinc/24/27/66/1125242766.db2.gz GZBVZVTYGXMEPC-PMACEKPBSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001569342352 1125242773 /nfs/dbraw/zinc/24/27/73/1125242773.db2.gz GZBVZVTYGXMEPC-PMACEKPBSA-N 2 1 341.499 2.358 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438651 468586405 /nfs/dbraw/zinc/58/64/05/468586405.db2.gz PHLPYIJAQNJHMS-BHIYHBOVSA-N 2 1 342.487 2.424 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(-n2cccn2)c1C#N ZINC000596362851 469251189 /nfs/dbraw/zinc/25/11/89/469251189.db2.gz OZUOIGZFNYQEMM-INIZCTEOSA-N 2 1 340.475 2.428 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741712290 578122801 /nfs/dbraw/zinc/12/28/01/578122801.db2.gz SVEYTYOJUJFZHG-BQFCYCMXSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741712290 578122802 /nfs/dbraw/zinc/12/28/02/578122802.db2.gz SVEYTYOJUJFZHG-BQFCYCMXSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000741712290 578122803 /nfs/dbraw/zinc/12/28/03/578122803.db2.gz SVEYTYOJUJFZHG-BQFCYCMXSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000741712290 578122804 /nfs/dbraw/zinc/12/28/04/578122804.db2.gz SVEYTYOJUJFZHG-BQFCYCMXSA-N 2 1 345.512 2.345 10 30 EEEEMP COc1ccc(CNC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000303872585 686927691 /nfs/dbraw/zinc/92/76/91/686927691.db2.gz CCEQQPUINAVDLE-UHFFFAOYSA-N 2 1 348.491 2.373 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(F)ccc1C ZINC001266394703 1176468165 /nfs/dbraw/zinc/46/81/65/1176468165.db2.gz VSULMBHRXOBRSW-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(F)ccc1C ZINC001266394703 1176468170 /nfs/dbraw/zinc/46/81/70/1176468170.db2.gz VSULMBHRXOBRSW-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(F)ccc1C ZINC001266394703 1176468172 /nfs/dbraw/zinc/46/81/72/1176468172.db2.gz VSULMBHRXOBRSW-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(F)ccc1C ZINC001266394703 1176468176 /nfs/dbraw/zinc/46/81/76/1176468176.db2.gz VSULMBHRXOBRSW-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191405 1178464355 /nfs/dbraw/zinc/46/43/55/1178464355.db2.gz ULJSJGDYFDJKQR-RDJZCZTQSA-N 2 1 337.895 2.053 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191405 1178464357 /nfs/dbraw/zinc/46/43/57/1178464357.db2.gz ULJSJGDYFDJKQR-RDJZCZTQSA-N 2 1 337.895 2.053 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccccc1Cl ZINC001267200414 1178484076 /nfs/dbraw/zinc/48/40/76/1178484076.db2.gz KJMIBCOZBXWDKA-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1Cl ZINC001267200414 1178484083 /nfs/dbraw/zinc/48/40/83/1178484083.db2.gz KJMIBCOZBXWDKA-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccccc1Cl ZINC001267200414 1178484089 /nfs/dbraw/zinc/48/40/89/1178484089.db2.gz KJMIBCOZBXWDKA-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1ccccc1Cl ZINC001267200414 1178484097 /nfs/dbraw/zinc/48/40/97/1178484097.db2.gz KJMIBCOZBXWDKA-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685038 1180157461 /nfs/dbraw/zinc/15/74/61/1180157461.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267685038 1180157465 /nfs/dbraw/zinc/15/74/65/1180157465.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267685038 1180157468 /nfs/dbraw/zinc/15/74/68/1180157468.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC001268069098 1181666068 /nfs/dbraw/zinc/66/60/68/1181666068.db2.gz SPBPOKJCJGUAFQ-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC001268069098 1181666076 /nfs/dbraw/zinc/66/60/76/1181666076.db2.gz SPBPOKJCJGUAFQ-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268192862 1181986766 /nfs/dbraw/zinc/98/67/66/1181986766.db2.gz SOZNWHWQABZFEL-YJBOKZPZSA-N 2 1 346.475 2.287 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCCCC=C)C1 ZINC001481725363 1182372719 /nfs/dbraw/zinc/37/27/19/1182372719.db2.gz CCLYGSMMIRBIDD-OALUTQOASA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCCCC=C)C1 ZINC001481725363 1182372726 /nfs/dbraw/zinc/37/27/26/1182372726.db2.gz CCLYGSMMIRBIDD-OALUTQOASA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCC=C)C1 ZINC001481725363 1182372733 /nfs/dbraw/zinc/37/27/33/1182372733.db2.gz CCLYGSMMIRBIDD-OALUTQOASA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCC=C)C1 ZINC001481725363 1182372738 /nfs/dbraw/zinc/37/27/38/1182372738.db2.gz CCLYGSMMIRBIDD-OALUTQOASA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740944 1182467865 /nfs/dbraw/zinc/46/78/65/1182467865.db2.gz GPSOWOGKSHZPMU-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740944 1182467870 /nfs/dbraw/zinc/46/78/70/1182467870.db2.gz GPSOWOGKSHZPMU-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880829 1182863503 /nfs/dbraw/zinc/86/35/03/1182863503.db2.gz HQYWINGWXMPXBG-WMLDXEAASA-N 2 1 348.516 2.479 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1 ZINC001268551626 1183236510 /nfs/dbraw/zinc/23/65/10/1183236510.db2.gz CWUZEPWAMZLVOJ-UKPUQTQTSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1 ZINC001268551626 1183236516 /nfs/dbraw/zinc/23/65/16/1183236516.db2.gz CWUZEPWAMZLVOJ-UKPUQTQTSA-N 2 1 325.456 2.107 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741811 1183663493 /nfs/dbraw/zinc/66/34/93/1183663493.db2.gz YPPAONKZBXXKME-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741811 1183663496 /nfs/dbraw/zinc/66/34/96/1183663496.db2.gz YPPAONKZBXXKME-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268741811 1183663498 /nfs/dbraw/zinc/66/34/98/1183663498.db2.gz YPPAONKZBXXKME-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268741811 1183663501 /nfs/dbraw/zinc/66/35/01/1183663501.db2.gz YPPAONKZBXXKME-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001268798013 1183714408 /nfs/dbraw/zinc/71/44/08/1183714408.db2.gz CYMSLEFOYMPVOX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001268798013 1183714409 /nfs/dbraw/zinc/71/44/09/1183714409.db2.gz CYMSLEFOYMPVOX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482202258 1183922968 /nfs/dbraw/zinc/92/29/68/1183922968.db2.gz LDWVIHUVPBVGAZ-IBGZPJMESA-N 2 1 345.487 2.145 10 30 EEEEMP C=CCCC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001270237108 1184945255 /nfs/dbraw/zinc/94/52/55/1184945255.db2.gz KJSMXEKGDDQKGS-UHFFFAOYSA-N 2 1 334.464 2.287 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001691508401 1185363965 /nfs/dbraw/zinc/36/39/65/1185363965.db2.gz NCWIXRSISFVISF-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271099880 1185886571 /nfs/dbraw/zinc/88/65/71/1185886571.db2.gz GTISGJCSRDOMBY-INIZCTEOSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482462890 1185933099 /nfs/dbraw/zinc/93/30/99/1185933099.db2.gz WDGDMIMESZFZIG-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482462890 1185933103 /nfs/dbraw/zinc/93/31/03/1185933103.db2.gz WDGDMIMESZFZIG-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001482479606 1186054816 /nfs/dbraw/zinc/05/48/16/1186054816.db2.gz CUGKIWQEUGBDJO-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001482479606 1186054821 /nfs/dbraw/zinc/05/48/21/1186054821.db2.gz CUGKIWQEUGBDJO-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271853765 1186554053 /nfs/dbraw/zinc/55/40/53/1186554053.db2.gz MRJRUEREPQOYIP-ZCNNSNEGSA-N 2 1 345.531 2.465 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001670937293 1193529666 /nfs/dbraw/zinc/52/96/66/1193529666.db2.gz JIBCOFIEFRZMFT-WJXKREEZSA-N 2 1 331.504 2.242 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001670984509 1193538396 /nfs/dbraw/zinc/53/83/96/1193538396.db2.gz AGURYKSEOMJSAD-FQEVSTJZSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001670984509 1193538398 /nfs/dbraw/zinc/53/83/98/1193538398.db2.gz AGURYKSEOMJSAD-FQEVSTJZSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001670984509 1193538400 /nfs/dbraw/zinc/53/84/00/1193538400.db2.gz AGURYKSEOMJSAD-FQEVSTJZSA-N 2 1 345.531 2.443 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001670985450 1193538921 /nfs/dbraw/zinc/53/89/21/1193538921.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 1 328.460 2.402 10 30 EEEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001670985450 1193538924 /nfs/dbraw/zinc/53/89/24/1193538924.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 1 328.460 2.402 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097892 1188473629 /nfs/dbraw/zinc/47/36/29/1188473629.db2.gz NIANLDAJLGMSNS-VYRCICMXSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001483144171 1188750787 /nfs/dbraw/zinc/75/07/87/1188750787.db2.gz RGUHSUYFTBRPLO-APWZRJJASA-N 2 1 342.487 2.273 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001486093823 1193679392 /nfs/dbraw/zinc/67/93/92/1193679392.db2.gz QESRHMOVJGUHGM-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742344 /nfs/dbraw/zinc/74/23/44/1190742344.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742347 /nfs/dbraw/zinc/74/23/47/1190742347.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742348 /nfs/dbraw/zinc/74/23/48/1190742348.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001483813901 1191059197 /nfs/dbraw/zinc/05/91/97/1191059197.db2.gz LDUBXQKWWPZNJN-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484008424 1191153210 /nfs/dbraw/zinc/15/32/10/1191153210.db2.gz DAGHPCGREQDIQX-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001486519951 1194041017 /nfs/dbraw/zinc/04/10/17/1194041017.db2.gz XSTWEKANZMATBY-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001486519951 1194041023 /nfs/dbraw/zinc/04/10/23/1194041023.db2.gz XSTWEKANZMATBY-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000876754367 1199757552 /nfs/dbraw/zinc/75/75/52/1199757552.db2.gz CBJJIFRZPKIXQO-CZUORRHYSA-N 2 1 337.851 2.488 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275709226 1205493841 /nfs/dbraw/zinc/49/38/41/1205493841.db2.gz DMBLUTRJZGMIFW-INIZCTEOSA-N 2 1 332.492 2.404 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628752 /nfs/dbraw/zinc/62/87/52/1205628752.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628753 /nfs/dbraw/zinc/62/87/53/1205628753.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628754 /nfs/dbraw/zinc/62/87/54/1205628754.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628755 /nfs/dbraw/zinc/62/87/55/1205628755.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628756 /nfs/dbraw/zinc/62/87/56/1205628756.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000900250284 1234122701 /nfs/dbraw/zinc/12/27/01/1234122701.db2.gz XAEQEZLXXRADPJ-UHFFFAOYSA-N 2 1 330.476 2.275 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999911 /nfs/dbraw/zinc/99/99/11/1290999911.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999915 /nfs/dbraw/zinc/99/99/15/1290999915.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999919 /nfs/dbraw/zinc/99/99/19/1290999919.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999921 /nfs/dbraw/zinc/99/99/21/1290999921.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999924 /nfs/dbraw/zinc/99/99/24/1290999924.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CCOCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605752 1293580175 /nfs/dbraw/zinc/58/01/75/1293580175.db2.gz DXRYYDPTAUPEAQ-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP C#CCOCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605752 1293580183 /nfs/dbraw/zinc/58/01/83/1293580183.db2.gz DXRYYDPTAUPEAQ-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP C#CCOCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605752 1293580191 /nfs/dbraw/zinc/58/01/91/1293580191.db2.gz DXRYYDPTAUPEAQ-IBGZPJMESA-N 2 1 331.460 2.025 10 30 EEEEMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000931309256 1297131507 /nfs/dbraw/zinc/13/15/07/1297131507.db2.gz XOFVJYDWDKOMPT-OALUTQOASA-N 2 1 326.444 2.160 10 30 EEEEMP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001276799119 1297874747 /nfs/dbraw/zinc/87/47/47/1297874747.db2.gz HMWJDZGVWOFOHK-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001277392926 1302811253 /nfs/dbraw/zinc/81/12/53/1302811253.db2.gz ABROGDFNWNUOJG-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001277392926 1302811269 /nfs/dbraw/zinc/81/12/69/1302811269.db2.gz ABROGDFNWNUOJG-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001277392926 1302811286 /nfs/dbraw/zinc/81/12/86/1302811286.db2.gz ABROGDFNWNUOJG-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277941231 1305210168 /nfs/dbraw/zinc/21/01/68/1305210168.db2.gz MUUZCWXFXHRTBN-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419677 1310181191 /nfs/dbraw/zinc/18/11/91/1310181191.db2.gz DOYVZNJSNWRQST-VQIMIIECSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001278419677 1310181201 /nfs/dbraw/zinc/18/12/01/1310181201.db2.gz DOYVZNJSNWRQST-VQIMIIECSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278432306 1310242521 /nfs/dbraw/zinc/24/25/21/1310242521.db2.gz CGRSVBBRPRAKCD-IBGZPJMESA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278432306 1310242524 /nfs/dbraw/zinc/24/25/24/1310242524.db2.gz CGRSVBBRPRAKCD-IBGZPJMESA-N 2 1 339.443 2.428 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001278503349 1310877355 /nfs/dbraw/zinc/87/73/55/1310877355.db2.gz BJOVCHPPFRBCRU-AZUAARDMSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265292098 1323043040 /nfs/dbraw/zinc/04/30/40/1323043040.db2.gz GGDVHSBDHKOMPA-MRXNPFEDSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265292098 1323043047 /nfs/dbraw/zinc/04/30/47/1323043047.db2.gz GGDVHSBDHKOMPA-MRXNPFEDSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265292098 1323043054 /nfs/dbraw/zinc/04/30/54/1323043054.db2.gz GGDVHSBDHKOMPA-MRXNPFEDSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1csc(C)c1)C1CC1 ZINC001265358916 1323096490 /nfs/dbraw/zinc/09/64/90/1323096490.db2.gz SXUFEMJKSWHXMN-MSOLQXFVSA-N 2 1 345.512 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1csc(C)c1)C1CC1 ZINC001265358916 1323096497 /nfs/dbraw/zinc/09/64/97/1323096497.db2.gz SXUFEMJKSWHXMN-MSOLQXFVSA-N 2 1 345.512 2.139 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102910 1323667767 /nfs/dbraw/zinc/66/77/67/1323667767.db2.gz NIWQANQKIYUOQF-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266102910 1323667775 /nfs/dbraw/zinc/66/77/75/1323667775.db2.gz NIWQANQKIYUOQF-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266102910 1323667783 /nfs/dbraw/zinc/66/77/83/1323667783.db2.gz NIWQANQKIYUOQF-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001279653360 1323971093 /nfs/dbraw/zinc/97/10/93/1323971093.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 2 1 349.519 2.200 10 30 EEEEMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001279653360 1323971098 /nfs/dbraw/zinc/97/10/98/1323971098.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 2 1 349.519 2.200 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001279653360 1323971099 /nfs/dbraw/zinc/97/10/99/1323971099.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 2 1 349.519 2.200 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001281031338 1324730339 /nfs/dbraw/zinc/73/03/39/1324730339.db2.gz PDXJOEBGYZRRFO-MSOLQXFVSA-N 2 1 331.504 2.387 10 30 EEEEMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001281064258 1324750727 /nfs/dbraw/zinc/75/07/27/1324750727.db2.gz WAFJVCZRBPVCHX-IBGZPJMESA-N 2 1 338.455 2.462 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494807 1325732604 /nfs/dbraw/zinc/73/26/04/1325732604.db2.gz QJHIDWTYHBXQRM-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494807 1325732606 /nfs/dbraw/zinc/73/26/06/1325732606.db2.gz QJHIDWTYHBXQRM-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282494807 1325732610 /nfs/dbraw/zinc/73/26/10/1325732610.db2.gz QJHIDWTYHBXQRM-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282494807 1325732615 /nfs/dbraw/zinc/73/26/15/1325732615.db2.gz QJHIDWTYHBXQRM-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283503798 1326102415 /nfs/dbraw/zinc/10/24/15/1326102415.db2.gz WUUDEHQKRWVEDT-HKUYNNGSSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC=C)CC1 ZINC001284686105 1326666530 /nfs/dbraw/zinc/66/65/30/1326666530.db2.gz HNJKGAXCTRGFRD-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC=C)CC1 ZINC001284686105 1326666532 /nfs/dbraw/zinc/66/65/32/1326666532.db2.gz HNJKGAXCTRGFRD-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001317050018 1332060400 /nfs/dbraw/zinc/06/04/00/1332060400.db2.gz MZTCSHBRMDXZPV-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001317050018 1332060401 /nfs/dbraw/zinc/06/04/01/1332060401.db2.gz MZTCSHBRMDXZPV-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432955 1332236717 /nfs/dbraw/zinc/23/67/17/1332236717.db2.gz WMOJJPCZSSCWFI-LJQANCHMSA-N 2 1 327.472 2.356 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCC2CCCC2)CC1 ZINC001317492231 1332264696 /nfs/dbraw/zinc/26/46/96/1332264696.db2.gz JLSBRAOUUJULJQ-UHFFFAOYSA-N 2 1 333.520 2.350 10 30 EEEEMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570708 1332562460 /nfs/dbraw/zinc/56/24/60/1332562460.db2.gz PUAHOZDHHHCNMF-QFBILLFUSA-N 2 1 345.462 2.003 10 30 EEEEMP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001319606816 1332728289 /nfs/dbraw/zinc/72/82/89/1332728289.db2.gz ZJOFPMVNHDYYIW-UXHICEINSA-N 2 1 341.499 2.253 10 30 EEEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001320876785 1332970240 /nfs/dbraw/zinc/97/02/40/1332970240.db2.gz QFSWOJBXVBOUPC-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC001322177684 1333222555 /nfs/dbraw/zinc/22/25/55/1333222555.db2.gz UZDKPJPPHLHRPF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001322177684 1333222559 /nfs/dbraw/zinc/22/25/59/1333222559.db2.gz UZDKPJPPHLHRPF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(F)c1 ZINC001322177684 1333222561 /nfs/dbraw/zinc/22/25/61/1333222561.db2.gz UZDKPJPPHLHRPF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(F)c1 ZINC001322177684 1333222566 /nfs/dbraw/zinc/22/25/66/1333222566.db2.gz UZDKPJPPHLHRPF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001324442360 1333685400 /nfs/dbraw/zinc/68/54/00/1333685400.db2.gz ZAWFWVKFPJRLDY-MRXNPFEDSA-N 2 1 325.472 2.001 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915066 1333992545 /nfs/dbraw/zinc/99/25/45/1333992545.db2.gz CFWUXWZRNLTEJC-RBUKOAKNSA-N 2 1 331.504 2.341 10 30 EEEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001326468358 1334099439 /nfs/dbraw/zinc/09/94/39/1334099439.db2.gz LGEXYGNNFWVOGZ-MRXNPFEDSA-N 2 1 327.472 2.461 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765314 1334516956 /nfs/dbraw/zinc/51/69/56/1334516956.db2.gz PPUHOPZODBTWGH-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765314 1334516957 /nfs/dbraw/zinc/51/69/57/1334516957.db2.gz PPUHOPZODBTWGH-IRXDYDNUSA-N 2 1 330.476 2.253 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC001332400733 1335818189 /nfs/dbraw/zinc/81/81/89/1335818189.db2.gz ZAOBITQAXGNIKP-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001566877562 1342646092 /nfs/dbraw/zinc/64/60/92/1342646092.db2.gz AGOAGFJVVGNZOW-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566877562 1342646094 /nfs/dbraw/zinc/64/60/94/1342646094.db2.gz AGOAGFJVVGNZOW-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566877562 1342646096 /nfs/dbraw/zinc/64/60/96/1342646096.db2.gz AGOAGFJVVGNZOW-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cccc1Cl ZINC001567024341 1342682320 /nfs/dbraw/zinc/68/23/20/1342682320.db2.gz LGDSTKFWSHJMAB-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cccc1Cl ZINC001567024341 1342682324 /nfs/dbraw/zinc/68/23/24/1342682324.db2.gz LGDSTKFWSHJMAB-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001569518090 1342891326 /nfs/dbraw/zinc/89/13/26/1342891326.db2.gz BUQDNUGVBALAMD-GJZGRUSLSA-N 2 1 334.464 2.285 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001571564484 1343239022 /nfs/dbraw/zinc/23/90/22/1343239022.db2.gz DOZARXWTPQARCR-INIZCTEOSA-N 2 1 348.491 2.036 10 30 EEEEMP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001571695561 1343278234 /nfs/dbraw/zinc/27/82/34/1343278234.db2.gz RYJJQPDXCOIGED-UHFFFAOYSA-N 2 1 341.499 2.485 10 30 EEEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001571695561 1343278237 /nfs/dbraw/zinc/27/82/37/1343278237.db2.gz RYJJQPDXCOIGED-UHFFFAOYSA-N 2 1 341.499 2.485 10 30 EEEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001571695561 1343278241 /nfs/dbraw/zinc/27/82/41/1343278241.db2.gz RYJJQPDXCOIGED-UHFFFAOYSA-N 2 1 341.499 2.485 10 30 EEEEMP C#CCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC001683787925 1358200855 /nfs/dbraw/zinc/20/08/55/1358200855.db2.gz SJHHYTXXTLUQNG-KRWDZBQOSA-N 2 1 336.524 2.284 10 30 EEEEMP C#CCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC001683787925 1358200859 /nfs/dbraw/zinc/20/08/59/1358200859.db2.gz SJHHYTXXTLUQNG-KRWDZBQOSA-N 2 1 336.524 2.284 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001656293357 1354221682 /nfs/dbraw/zinc/22/16/82/1354221682.db2.gz KXOIKLBGANXGBW-IXDOHACOSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1CC ZINC001657063424 1354314623 /nfs/dbraw/zinc/31/46/23/1354314623.db2.gz OAVRYUYXFXHCAO-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001657063424 1354314630 /nfs/dbraw/zinc/31/46/30/1354314630.db2.gz OAVRYUYXFXHCAO-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC001659328417 1354378794 /nfs/dbraw/zinc/37/87/94/1354378794.db2.gz JIPRCEWFVBARIJ-UHFFFAOYSA-N 2 1 330.428 2.055 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC001659328417 1354378797 /nfs/dbraw/zinc/37/87/97/1354378797.db2.gz JIPRCEWFVBARIJ-UHFFFAOYSA-N 2 1 330.428 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC001663389010 1354956612 /nfs/dbraw/zinc/95/66/12/1354956612.db2.gz MKJPJWWWFIUEKX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC001663389010 1354956614 /nfs/dbraw/zinc/95/66/14/1354956614.db2.gz MKJPJWWWFIUEKX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001663389010 1354956616 /nfs/dbraw/zinc/95/66/16/1354956616.db2.gz MKJPJWWWFIUEKX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001663389010 1354956619 /nfs/dbraw/zinc/95/66/19/1354956619.db2.gz MKJPJWWWFIUEKX-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859829 1355244966 /nfs/dbraw/zinc/24/49/66/1355244966.db2.gz XMHPGQBHBIIRIK-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001668868866 1356029698 /nfs/dbraw/zinc/02/96/98/1356029698.db2.gz SWMBIBCVLFOGDU-XJDXJNMNSA-N 2 1 339.483 2.175 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1CC ZINC001672175803 1356473643 /nfs/dbraw/zinc/47/36/43/1356473643.db2.gz ANHPRLGTFXBKHR-GOSISDBHSA-N 2 1 326.444 2.387 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001674352947 1356823304 /nfs/dbraw/zinc/82/33/04/1356823304.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001674352947 1356823305 /nfs/dbraw/zinc/82/33/05/1356823305.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001674352947 1356823306 /nfs/dbraw/zinc/82/33/06/1356823306.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001674510204 1356852007 /nfs/dbraw/zinc/85/20/07/1356852007.db2.gz GJQSNHJDQXZYHY-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001699545827 1405379653 /nfs/dbraw/zinc/37/96/53/1405379653.db2.gz DOBLLPALUINFQJ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699761420 1405470924 /nfs/dbraw/zinc/47/09/24/1405470924.db2.gz IDZMMKKEKQYIPR-GOSISDBHSA-N 2 1 339.443 2.428 10 30 EEEEMP [NH3+]CCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923531463 789729752 /nfs/dbraw/zinc/72/97/52/789729752.db2.gz RCMXBXVYRPCZHQ-BQBZGAKWSA-N 2 1 326.231 2.438 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566003519 1125496506 /nfs/dbraw/zinc/49/65/06/1125496506.db2.gz BJYOAKIWWIMDIE-OALUTQOASA-N 2 1 345.487 2.107 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001566025074 1125502922 /nfs/dbraw/zinc/50/29/22/1125502922.db2.gz DSOHSPMZIPWFRF-OTWHNJEPSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001566025074 1125502926 /nfs/dbraw/zinc/50/29/26/1125502926.db2.gz DSOHSPMZIPWFRF-OTWHNJEPSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001566025074 1125502929 /nfs/dbraw/zinc/50/29/29/1125502929.db2.gz DSOHSPMZIPWFRF-OTWHNJEPSA-N 2 1 327.472 2.282 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001566563624 1125739079 /nfs/dbraw/zinc/73/90/79/1125739079.db2.gz AYZDHAAIAARJSU-UHFFFAOYSA-N 2 1 342.487 2.228 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001445437803 1091197864 /nfs/dbraw/zinc/19/78/64/1091197864.db2.gz XOZQKCQABHZVES-CQSZACIVSA-N 2 1 348.466 2.270 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001445437803 1091197869 /nfs/dbraw/zinc/19/78/69/1091197869.db2.gz XOZQKCQABHZVES-CQSZACIVSA-N 2 1 348.466 2.270 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446397 1091207948 /nfs/dbraw/zinc/20/79/48/1091207948.db2.gz MBVPHBFNDYADAT-VQIMIIECSA-N 2 1 342.487 2.415 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001441936428 1096129718 /nfs/dbraw/zinc/12/97/18/1096129718.db2.gz KRWMGEIZYYVPED-KBPBESRZSA-N 2 1 346.313 2.111 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001479597607 1098625186 /nfs/dbraw/zinc/62/51/86/1098625186.db2.gz PBYQOPHCKCKBOK-IPMKNSEASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480382944 1100177484 /nfs/dbraw/zinc/17/74/84/1100177484.db2.gz MEOYSFMNGFEGSF-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382944 1100177489 /nfs/dbraw/zinc/17/74/89/1100177489.db2.gz MEOYSFMNGFEGSF-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382944 1100177492 /nfs/dbraw/zinc/17/74/92/1100177492.db2.gz MEOYSFMNGFEGSF-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001497216449 1102139511 /nfs/dbraw/zinc/13/95/11/1102139511.db2.gz RKMLKWFWYOMDAV-IEBWSBKVSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001447438616 1102655556 /nfs/dbraw/zinc/65/55/56/1102655556.db2.gz KMRIVTCFILDFRJ-QGZVFWFLSA-N 2 1 327.900 2.395 10 30 EEEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001493967724 1103220391 /nfs/dbraw/zinc/22/03/91/1103220391.db2.gz DQGVJPZXCXCNTF-IBGZPJMESA-N 2 1 327.472 2.308 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001493967724 1103220400 /nfs/dbraw/zinc/22/04/00/1103220400.db2.gz DQGVJPZXCXCNTF-IBGZPJMESA-N 2 1 327.472 2.308 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCC=C)CC1 ZINC001493832659 1108715048 /nfs/dbraw/zinc/71/50/48/1108715048.db2.gz YLYDJQSALHEDIT-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCC=C)CC1 ZINC001493832659 1108715055 /nfs/dbraw/zinc/71/50/55/1108715055.db2.gz YLYDJQSALHEDIT-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001479401011 1110691635 /nfs/dbraw/zinc/69/16/35/1110691635.db2.gz WSNUZFLFAGSOEE-MPGHIAIKSA-N 2 1 325.472 2.259 10 30 EEEEMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001500018897 1112581166 /nfs/dbraw/zinc/58/11/66/1112581166.db2.gz QZXXUKNCWGLXPK-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCCC)C3)CC1 ZINC001501012945 1113166462 /nfs/dbraw/zinc/16/64/62/1113166462.db2.gz FQDWODLEDGMYCQ-IHPCNDPISA-N 2 1 345.531 2.491 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001502058641 1113572617 /nfs/dbraw/zinc/57/26/17/1113572617.db2.gz VZWQBUSQMVREPY-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001505691435 1114133452 /nfs/dbraw/zinc/13/34/52/1114133452.db2.gz WPCFXSIAFSFIDP-QWHCGFSZSA-N 2 1 340.855 2.119 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156295 1115138558 /nfs/dbraw/zinc/13/85/58/1115138558.db2.gz XADMUFZGWAAIIL-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372041 1115230505 /nfs/dbraw/zinc/23/05/05/1115230505.db2.gz DNRMQVHPUWCKNW-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001568363056 1124438586 /nfs/dbraw/zinc/43/85/86/1124438586.db2.gz NUIJPBMLWUREBA-PKOBYXMFSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001569147354 1125129024 /nfs/dbraw/zinc/12/90/24/1125129024.db2.gz WTADJSCUMJHFBV-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001569147354 1125129026 /nfs/dbraw/zinc/12/90/26/1125129026.db2.gz WTADJSCUMJHFBV-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000093143141 530066938 /nfs/dbraw/zinc/06/69/38/530066938.db2.gz DXCDYWYMHIUUCJ-UHFFFAOYSA-N 2 1 334.508 2.192 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cc1 ZINC000370516433 238257689 /nfs/dbraw/zinc/25/76/89/238257689.db2.gz CGNFQTGBKKUNPS-CQSZACIVSA-N 2 1 337.427 2.394 10 30 EEEEMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594497519 468608875 /nfs/dbraw/zinc/60/88/75/468608875.db2.gz CUIRPNHQDNFZSI-IBGZPJMESA-N 2 1 329.444 2.170 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485577926 1191846007 /nfs/dbraw/zinc/84/60/07/1191846007.db2.gz SIOWQPULMPWFDH-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485577926 1191846009 /nfs/dbraw/zinc/84/60/09/1191846009.db2.gz SIOWQPULMPWFDH-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485656117 1191874135 /nfs/dbraw/zinc/87/41/35/1191874135.db2.gz BXILHXIBVUSRGL-GBESFXJTSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001485658880 1191879256 /nfs/dbraw/zinc/87/92/56/1191879256.db2.gz ZRLHHDZVNHTYRZ-FHWLQOOXSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266787002 1177427988 /nfs/dbraw/zinc/42/79/88/1177427988.db2.gz RGAOUTTYZPABBA-RBUKOAKNSA-N 2 1 345.531 2.493 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266878795 1177690649 /nfs/dbraw/zinc/69/06/49/1177690649.db2.gz MMDVAXXZNOCYBE-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123960 1178291451 /nfs/dbraw/zinc/29/14/51/1178291451.db2.gz ZGXDIXLMDDJNEA-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098829 1179736605 /nfs/dbraw/zinc/73/66/05/1179736605.db2.gz ICMNESBWKDKDES-HUUCEWRRSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098829 1179736610 /nfs/dbraw/zinc/73/66/10/1179736610.db2.gz ICMNESBWKDKDES-HUUCEWRRSA-N 2 1 334.464 2.143 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820647 1182749485 /nfs/dbraw/zinc/74/94/85/1182749485.db2.gz GWTDTIUUFVKEEF-MOPGFXCFSA-N 2 1 342.487 2.417 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952748 1183023837 /nfs/dbraw/zinc/02/38/37/1183023837.db2.gz TWZXVFADHAHLEX-SFHVURJKSA-N 2 1 348.516 2.334 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268544037 1183216869 /nfs/dbraw/zinc/21/68/69/1183216869.db2.gz YRJCEIPGWJATNC-SFFCAUCYSA-N 2 1 340.471 2.193 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268544037 1183216875 /nfs/dbraw/zinc/21/68/75/1183216875.db2.gz YRJCEIPGWJATNC-SFFCAUCYSA-N 2 1 340.471 2.193 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268550551 1183234080 /nfs/dbraw/zinc/23/40/80/1183234080.db2.gz QLNIXIRXYKMBRP-APHBUQMISA-N 2 1 325.884 2.408 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054391 1187291808 /nfs/dbraw/zinc/29/18/08/1187291808.db2.gz VJICAJCYEDCKNN-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054391 1187291811 /nfs/dbraw/zinc/29/18/11/1187291811.db2.gz VJICAJCYEDCKNN-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054391 1187291814 /nfs/dbraw/zinc/29/18/14/1187291814.db2.gz VJICAJCYEDCKNN-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272054391 1187291818 /nfs/dbraw/zinc/29/18/18/1187291818.db2.gz VJICAJCYEDCKNN-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001483237019 1190124695 /nfs/dbraw/zinc/12/46/95/1190124695.db2.gz XRZYUDKBLACDAN-DEYYWGMASA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001483237019 1190124697 /nfs/dbraw/zinc/12/46/97/1190124697.db2.gz XRZYUDKBLACDAN-DEYYWGMASA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001483349385 1190385180 /nfs/dbraw/zinc/38/51/80/1190385180.db2.gz GRYZTMSXFLPHLS-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001483349385 1190385184 /nfs/dbraw/zinc/38/51/84/1190385184.db2.gz GRYZTMSXFLPHLS-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001483349385 1190385187 /nfs/dbraw/zinc/38/51/87/1190385187.db2.gz GRYZTMSXFLPHLS-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001483349385 1190385191 /nfs/dbraw/zinc/38/51/91/1190385191.db2.gz GRYZTMSXFLPHLS-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422655 1190469687 /nfs/dbraw/zinc/46/96/87/1190469687.db2.gz XMDDPOCTCAPXJI-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422655 1190469690 /nfs/dbraw/zinc/46/96/90/1190469690.db2.gz XMDDPOCTCAPXJI-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422655 1190469693 /nfs/dbraw/zinc/46/96/93/1190469693.db2.gz XMDDPOCTCAPXJI-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422655 1190469695 /nfs/dbraw/zinc/46/96/95/1190469695.db2.gz XMDDPOCTCAPXJI-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 ZINC001483832857 1191070458 /nfs/dbraw/zinc/07/04/58/1191070458.db2.gz GHTQVMUBVKMRSB-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483832857 1191070459 /nfs/dbraw/zinc/07/04/59/1191070459.db2.gz GHTQVMUBVKMRSB-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483832857 1191070462 /nfs/dbraw/zinc/07/04/62/1191070462.db2.gz GHTQVMUBVKMRSB-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484008423 1191153180 /nfs/dbraw/zinc/15/31/80/1191153180.db2.gz DAGHPCGREQDIQX-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485059858 1191638832 /nfs/dbraw/zinc/63/88/32/1191638832.db2.gz DQCAWRURPRCQQC-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001485442811 1191786832 /nfs/dbraw/zinc/78/68/32/1191786832.db2.gz BJSXDVUCJOZGTP-PKOBYXMFSA-N 2 1 349.519 2.177 10 30 EEEEMP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867966702 1201716749 /nfs/dbraw/zinc/71/67/49/1201716749.db2.gz SPHXZFYNUAAQLR-IBGZPJMESA-N 2 1 334.423 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1CC ZINC001275850091 1205565291 /nfs/dbraw/zinc/56/52/91/1205565291.db2.gz KQJGSJYZZBKQFK-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1CC ZINC001275850091 1205565292 /nfs/dbraw/zinc/56/52/92/1205565292.db2.gz KQJGSJYZZBKQFK-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1CC ZINC001275850091 1205565293 /nfs/dbraw/zinc/56/52/93/1205565293.db2.gz KQJGSJYZZBKQFK-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1CC ZINC001275850091 1205565294 /nfs/dbraw/zinc/56/52/94/1205565294.db2.gz KQJGSJYZZBKQFK-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC001276013770 1205637089 /nfs/dbraw/zinc/63/70/89/1205637089.db2.gz ZPKXZABTODKGJN-KRWDZBQOSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928656939 1206408254 /nfs/dbraw/zinc/40/82/54/1206408254.db2.gz GRHURHRKHZCEFW-LJQANCHMSA-N 2 1 339.483 2.112 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277147751 1301511160 /nfs/dbraw/zinc/51/11/60/1301511160.db2.gz GZBZQSVWIAWXRI-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560431 /nfs/dbraw/zinc/56/04/31/1303560431.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560435 /nfs/dbraw/zinc/56/04/35/1303560435.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560438 /nfs/dbraw/zinc/56/04/38/1303560438.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278177372 1306183889 /nfs/dbraw/zinc/18/38/89/1306183889.db2.gz PUOIXZMWAWJSKU-UHFFFAOYSA-N 2 1 325.884 2.007 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316652770 1328611709 /nfs/dbraw/zinc/61/17/09/1328611709.db2.gz PQKXJHRCJWRZCP-SCTDSRPQSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCCC)CC1 ZINC001278610670 1317359658 /nfs/dbraw/zinc/35/96/58/1317359658.db2.gz GGQNGZOMJSLEGA-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCCC)CC1 ZINC001278610670 1317359664 /nfs/dbraw/zinc/35/96/64/1317359664.db2.gz GGQNGZOMJSLEGA-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001264160635 1322644451 /nfs/dbraw/zinc/64/44/51/1322644451.db2.gz YKSABMNEYRYGOF-KYJSFNMBSA-N 2 1 330.476 2.299 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001264160635 1322644456 /nfs/dbraw/zinc/64/44/56/1322644456.db2.gz YKSABMNEYRYGOF-KYJSFNMBSA-N 2 1 330.476 2.299 10 30 EEEEMP CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)CCCC[NH+](C)C ZINC001264377023 1322681359 /nfs/dbraw/zinc/68/13/59/1322681359.db2.gz TUEPBBZDVKXXDH-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)CCCC[NH+](C)C ZINC001264377023 1322681362 /nfs/dbraw/zinc/68/13/62/1322681362.db2.gz TUEPBBZDVKXXDH-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001265061640 1322900494 /nfs/dbraw/zinc/90/04/94/1322900494.db2.gz YVNNPUVFVRYVGT-LJQANCHMSA-N 2 1 329.488 2.062 10 30 EEEEMP C#CC[NH+]1CCC(N(CCC)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001265341481 1323087474 /nfs/dbraw/zinc/08/74/74/1323087474.db2.gz RDTFVHXWZZRNGB-UHFFFAOYSA-N 2 1 330.476 2.308 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266235156 1323818458 /nfs/dbraw/zinc/81/84/58/1323818458.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266235156 1323818464 /nfs/dbraw/zinc/81/84/64/1323818464.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266235156 1323818470 /nfs/dbraw/zinc/81/84/70/1323818470.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280072569 1324075492 /nfs/dbraw/zinc/07/54/92/1324075492.db2.gz GUGCZEMPRNBYKH-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280072569 1324075493 /nfs/dbraw/zinc/07/54/93/1324075493.db2.gz GUGCZEMPRNBYKH-WMZOPIPTSA-N 2 1 345.512 2.174 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001282888377 1325823013 /nfs/dbraw/zinc/82/30/13/1325823013.db2.gz KLAAZDYZKKCOHC-CADBVGFASA-N 2 1 333.520 2.367 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001283456925 1326079962 /nfs/dbraw/zinc/07/99/62/1326079962.db2.gz KALQITBIXJSXRN-APWZRJJASA-N 2 1 339.499 2.343 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cccc(CC)c2)CC1 ZINC001317472321 1331547932 /nfs/dbraw/zinc/54/79/32/1331547932.db2.gz ZXBRAKGFFMMPEE-UHFFFAOYSA-N 2 1 341.499 2.142 10 30 EEEEMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001317360393 1332194586 /nfs/dbraw/zinc/19/45/86/1332194586.db2.gz YXIZITOTXPNCQT-OALUTQOASA-N 2 1 329.488 2.364 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319889279 1332793061 /nfs/dbraw/zinc/79/30/61/1332793061.db2.gz TZRJBRNWUBLPBO-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320110084 1332828704 /nfs/dbraw/zinc/82/87/04/1332828704.db2.gz FEPSAJJMYXZCQC-HZPDHXFCSA-N 2 1 327.900 2.394 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322354203 1333252321 /nfs/dbraw/zinc/25/23/21/1333252321.db2.gz MSXCFWUDJHSTMW-NVXWUHKLSA-N 2 1 346.475 2.335 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001323637409 1333504296 /nfs/dbraw/zinc/50/42/96/1333504296.db2.gz LPJSVRNJTXVFIP-QGZVFWFLSA-N 2 1 330.476 2.479 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761408 1333955562 /nfs/dbraw/zinc/95/55/62/1333955562.db2.gz KDSXSLQSDUWWCS-VPAKFMSCSA-N 2 1 333.520 2.462 10 30 EEEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761408 1333955566 /nfs/dbraw/zinc/95/55/66/1333955566.db2.gz KDSXSLQSDUWWCS-VPAKFMSCSA-N 2 1 333.520 2.462 10 30 EEEEMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761408 1333955570 /nfs/dbraw/zinc/95/55/70/1333955570.db2.gz KDSXSLQSDUWWCS-VPAKFMSCSA-N 2 1 333.520 2.462 10 30 EEEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330599891 1334875531 /nfs/dbraw/zinc/87/55/31/1334875531.db2.gz VAJWMYBEDNOFFY-BZSNNMDCSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108524 1335731068 /nfs/dbraw/zinc/73/10/68/1335731068.db2.gz BSEROYZBCRAMNE-TZIWHRDSSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108524 1335731069 /nfs/dbraw/zinc/73/10/69/1335731069.db2.gz BSEROYZBCRAMNE-TZIWHRDSSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108524 1335731071 /nfs/dbraw/zinc/73/10/71/1335731071.db2.gz BSEROYZBCRAMNE-TZIWHRDSSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108524 1335731073 /nfs/dbraw/zinc/73/10/73/1335731073.db2.gz BSEROYZBCRAMNE-TZIWHRDSSA-N 2 1 341.499 2.460 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001332855577 1335919400 /nfs/dbraw/zinc/91/94/00/1335919400.db2.gz DNSJHEJFBRFBGB-QGZVFWFLSA-N 2 1 346.475 2.028 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001663988331 1355068189 /nfs/dbraw/zinc/06/81/89/1355068189.db2.gz FQVRELCXEOOMRS-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001663988331 1355068194 /nfs/dbraw/zinc/06/81/94/1355068194.db2.gz FQVRELCXEOOMRS-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCCC=C)C2)CC1 ZINC001664858407 1355244430 /nfs/dbraw/zinc/24/44/30/1355244430.db2.gz FRGYVMIACQCTRI-GOSISDBHSA-N 2 1 331.504 2.078 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001666374610 1355519743 /nfs/dbraw/zinc/51/97/43/1355519743.db2.gz GIGNRDJRUZJWIW-IBGZPJMESA-N 2 1 333.520 2.350 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668309108 1355920418 /nfs/dbraw/zinc/92/04/18/1355920418.db2.gz DIUNYWNPKNNRGX-NVXWUHKLSA-N 2 1 347.890 2.128 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337284 1356329471 /nfs/dbraw/zinc/32/94/71/1356329471.db2.gz FLZFXSFEMAHSNN-OALUTQOASA-N 2 1 331.504 2.387 10 30 EEEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001671720431 1356402038 /nfs/dbraw/zinc/40/20/38/1356402038.db2.gz QTLRDAVGBYPVJV-IEBWSBKVSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001671720431 1356402056 /nfs/dbraw/zinc/40/20/56/1356402056.db2.gz QTLRDAVGBYPVJV-IEBWSBKVSA-N 2 1 339.524 2.116 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001675030479 1356926969 /nfs/dbraw/zinc/92/69/69/1356926969.db2.gz KQSIOTPFUWFXNJ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001675030479 1356926971 /nfs/dbraw/zinc/92/69/71/1356926971.db2.gz KQSIOTPFUWFXNJ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675030479 1356926973 /nfs/dbraw/zinc/92/69/73/1356926973.db2.gz KQSIOTPFUWFXNJ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675030479 1356926975 /nfs/dbraw/zinc/92/69/75/1356926975.db2.gz KQSIOTPFUWFXNJ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001675564647 1357006614 /nfs/dbraw/zinc/00/66/14/1357006614.db2.gz RIHOHGOGVZRRDJ-OKYOBFRVSA-N 2 1 327.472 2.159 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001675564647 1357006621 /nfs/dbraw/zinc/00/66/21/1357006621.db2.gz RIHOHGOGVZRRDJ-OKYOBFRVSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCc1cccs1)C(C)C ZINC001698968381 1405191873 /nfs/dbraw/zinc/19/18/73/1405191873.db2.gz MBWRQNVOVIJLQQ-ROUUACIJSA-N 2 1 347.528 2.119 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCc1cccs1)C(C)C ZINC001698968381 1405191885 /nfs/dbraw/zinc/19/18/85/1405191885.db2.gz MBWRQNVOVIJLQQ-ROUUACIJSA-N 2 1 347.528 2.119 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800517 779305867 /nfs/dbraw/zinc/30/58/67/779305867.db2.gz BMBSZHZIWDBWOW-ROUUACIJSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800517 779305869 /nfs/dbraw/zinc/30/58/69/779305869.db2.gz BMBSZHZIWDBWOW-ROUUACIJSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800517 779305871 /nfs/dbraw/zinc/30/58/71/779305871.db2.gz BMBSZHZIWDBWOW-ROUUACIJSA-N 2 1 331.504 2.243 10 30 EEEEMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389472 789485370 /nfs/dbraw/zinc/48/53/70/789485370.db2.gz REKXMEUZYIBLFH-RBUKOAKNSA-N 2 1 343.471 2.010 10 30 EEEEMP C#CC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC#C)C3)COC2)C1 ZINC000829810292 805405574 /nfs/dbraw/zinc/40/55/74/805405574.db2.gz NMAWSCAODBBYGX-PMACEKPBSA-N 2 1 328.500 2.474 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001440753215 1093998323 /nfs/dbraw/zinc/99/83/23/1093998323.db2.gz ZZJYLRWZXDMINM-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440753215 1093998328 /nfs/dbraw/zinc/99/83/28/1093998328.db2.gz ZZJYLRWZXDMINM-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440753215 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CC#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001568246521 1124383484 /nfs/dbraw/zinc/38/34/84/1124383484.db2.gz MVVNJOXMBWBDSZ-SFHVURJKSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001568997616 1125028710 /nfs/dbraw/zinc/02/87/10/1125028710.db2.gz HQSHYOAZQPXGSZ-QAPCUYQASA-N 2 1 339.439 2.125 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001568997616 1125028718 /nfs/dbraw/zinc/02/87/18/1125028718.db2.gz HQSHYOAZQPXGSZ-QAPCUYQASA-N 2 1 339.439 2.125 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000174894028 464464823 /nfs/dbraw/zinc/46/48/23/464464823.db2.gz LWOLZKUMBSXNQU-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000174894028 464464829 /nfs/dbraw/zinc/46/48/29/464464829.db2.gz LWOLZKUMBSXNQU-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000246907187 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QQJQJAXIMWFSMW-SFHVURJKSA-N 2 1 328.460 2.051 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729205 468638003 /nfs/dbraw/zinc/63/80/03/468638003.db2.gz SMWCIYACNIWTKK-ZWKOTPCHSA-N 2 1 337.508 2.015 10 30 EEEEMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595944694 469094669 /nfs/dbraw/zinc/09/46/69/469094669.db2.gz IVWLWQQQJNXXNM-RBUKOAKNSA-N 2 1 342.487 2.173 10 30 EEEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215349 /nfs/dbraw/zinc/21/53/49/469215349.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215351 /nfs/dbraw/zinc/21/53/51/469215351.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215355 /nfs/dbraw/zinc/21/53/55/469215355.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 2 1 347.503 2.006 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000127488297 678334592 /nfs/dbraw/zinc/33/45/92/678334592.db2.gz ISOKGKDVFCLIAN-NXOAAHMSSA-N 2 1 336.524 2.182 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266397305 1176474496 /nfs/dbraw/zinc/47/44/96/1176474496.db2.gz XFIJXJKWYJJMSD-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266397305 1176474503 /nfs/dbraw/zinc/47/45/03/1176474503.db2.gz XFIJXJKWYJJMSD-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266397305 1176474507 /nfs/dbraw/zinc/47/45/07/1176474507.db2.gz XFIJXJKWYJJMSD-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266397305 1176474516 /nfs/dbraw/zinc/47/45/16/1176474516.db2.gz XFIJXJKWYJJMSD-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266397307 1176474954 /nfs/dbraw/zinc/47/49/54/1176474954.db2.gz XFIJXJKWYJJMSD-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266397307 1176474964 /nfs/dbraw/zinc/47/49/64/1176474964.db2.gz XFIJXJKWYJJMSD-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266397307 1176474974 /nfs/dbraw/zinc/47/49/74/1176474974.db2.gz XFIJXJKWYJJMSD-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266397307 1176474975 /nfs/dbraw/zinc/47/49/75/1176474975.db2.gz XFIJXJKWYJJMSD-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547489 1179330897 /nfs/dbraw/zinc/33/08/97/1179330897.db2.gz NKAKUMOBKDPHCU-QZTJIDSGSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547489 1179330905 /nfs/dbraw/zinc/33/09/05/1179330905.db2.gz NKAKUMOBKDPHCU-QZTJIDSGSA-N 2 1 342.487 2.090 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1 ZINC001268038973 1181387447 /nfs/dbraw/zinc/38/74/47/1181387447.db2.gz VPZKVSPAGDEOQR-UHFFFAOYSA-N 2 1 346.475 2.479 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001481491260 1181556090 /nfs/dbraw/zinc/55/60/90/1181556090.db2.gz MJBVUHBINDLSSW-SJORKVTESA-N 2 1 330.476 2.192 10 30 EEEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001268134420 1181789196 /nfs/dbraw/zinc/78/91/96/1181789196.db2.gz JDAORAQXKWQHKT-IEBWSBKVSA-N 2 1 329.488 2.174 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811504 1182739968 /nfs/dbraw/zinc/73/99/68/1182739968.db2.gz TUMNFFURNIRUBI-UXHICEINSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(CC)c1 ZINC001481820710 1182749726 /nfs/dbraw/zinc/74/97/26/1182749726.db2.gz PFHDKBSCBNCPRL-PMACEKPBSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(CC)c1 ZINC001481820710 1182749730 /nfs/dbraw/zinc/74/97/30/1182749730.db2.gz PFHDKBSCBNCPRL-PMACEKPBSA-N 2 1 341.499 2.331 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268497330 1183023121 /nfs/dbraw/zinc/02/31/21/1183023121.db2.gz LJKBMHBUWDSFMO-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270434600 1185096940 /nfs/dbraw/zinc/09/69/40/1185096940.db2.gz ZEYNCKAUWUXSIO-PKOBYXMFSA-N 2 1 342.487 2.042 10 30 EEEEMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648917 1185264460 /nfs/dbraw/zinc/26/44/60/1185264460.db2.gz KITKSXWQDDAQIW-ICSRJNTNSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648917 1185264466 /nfs/dbraw/zinc/26/44/66/1185264466.db2.gz KITKSXWQDDAQIW-ICSRJNTNSA-N 2 1 345.462 2.098 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552276 1186669226 /nfs/dbraw/zinc/66/92/26/1186669226.db2.gz CMHGZSREODYAOK-UYAOXDASSA-N 2 1 341.499 2.110 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)c1 ZINC001272837961 1193571387 /nfs/dbraw/zinc/57/13/87/1193571387.db2.gz NWUHOZMBZMSNOO-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)c1 ZINC001272837961 1193571390 /nfs/dbraw/zinc/57/13/90/1193571390.db2.gz NWUHOZMBZMSNOO-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855709 1193617608 /nfs/dbraw/zinc/61/76/08/1193617608.db2.gz MOFOKBOPTAYQLR-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1C ZINC001483472811 1190494276 /nfs/dbraw/zinc/49/42/76/1190494276.db2.gz ZLJWAFZLRWIJAK-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1C ZINC001483472811 1190494281 /nfs/dbraw/zinc/49/42/81/1190494281.db2.gz ZLJWAFZLRWIJAK-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483942440 1191125683 /nfs/dbraw/zinc/12/56/83/1191125683.db2.gz NAKNNNAQNOVCQV-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468135 1191372944 /nfs/dbraw/zinc/37/29/44/1191372944.db2.gz XXEYMSZYTWAZMZ-OALUTQOASA-N 2 1 331.504 2.341 10 30 EEEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001484758496 1191511853 /nfs/dbraw/zinc/51/18/53/1191511853.db2.gz GDTIXGBSTFQPIT-UHFFFAOYSA-N 2 1 334.464 2.240 10 30 EEEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001484758496 1191511855 /nfs/dbraw/zinc/51/18/55/1191511855.db2.gz GDTIXGBSTFQPIT-UHFFFAOYSA-N 2 1 334.464 2.240 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001484864602 1191555152 /nfs/dbraw/zinc/55/51/52/1191555152.db2.gz KSPXZCJQRHFMJL-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485318136 1191732460 /nfs/dbraw/zinc/73/24/60/1191732460.db2.gz FEUZSGJDYWZOKX-CRAIPNDOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485318136 1191732461 /nfs/dbraw/zinc/73/24/61/1191732461.db2.gz FEUZSGJDYWZOKX-CRAIPNDOSA-N 2 1 349.906 2.468 10 30 EEEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000865494637 1198246191 /nfs/dbraw/zinc/24/61/91/1198246191.db2.gz GAMKEBILMMNHGI-WOJBJXKFSA-N 2 1 342.487 2.092 10 30 EEEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810633762 1199635293 /nfs/dbraw/zinc/63/52/93/1199635293.db2.gz LZKJBZFFUVJCFK-MAUKXSAKSA-N 2 1 326.456 2.476 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000876754360 1199757770 /nfs/dbraw/zinc/75/77/70/1199757770.db2.gz CBJJIFRZPKIXQO-BBRMVZONSA-N 2 1 337.851 2.488 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260382 1201439565 /nfs/dbraw/zinc/43/95/65/1201439565.db2.gz CAGWCSQPWASKMI-IAGOWNOFSA-N 2 1 330.476 2.405 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260382 1201439566 /nfs/dbraw/zinc/43/95/66/1201439566.db2.gz CAGWCSQPWASKMI-IAGOWNOFSA-N 2 1 330.476 2.405 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000867963503 1201716174 /nfs/dbraw/zinc/71/61/74/1201716174.db2.gz WEKZSZMSIOIINH-SPYBWZPUSA-N 2 1 340.471 2.124 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000867963503 1201716176 /nfs/dbraw/zinc/71/61/76/1201716176.db2.gz WEKZSZMSIOIINH-SPYBWZPUSA-N 2 1 340.471 2.124 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274856451 1205189143 /nfs/dbraw/zinc/18/91/43/1205189143.db2.gz KXFXRBHVUDPAPS-UXHICEINSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274856451 1205189145 /nfs/dbraw/zinc/18/91/45/1205189145.db2.gz KXFXRBHVUDPAPS-UXHICEINSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275108891 1205259245 /nfs/dbraw/zinc/25/92/45/1205259245.db2.gz QIOKWYSVRKGPIE-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275108891 1205259248 /nfs/dbraw/zinc/25/92/48/1205259248.db2.gz QIOKWYSVRKGPIE-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296840 1258912565 /nfs/dbraw/zinc/91/25/65/1258912565.db2.gz GJAAAZICZOLMGN-QFBILLFUSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473344 1259118845 /nfs/dbraw/zinc/11/88/45/1259118845.db2.gz JGPYNJDGJIELJO-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886941 1292225154 /nfs/dbraw/zinc/22/51/54/1292225154.db2.gz ZZUMEGVNWIQBKE-MJGOQNOKSA-N 2 1 345.874 2.204 10 30 EEEEMP C[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886941 1292225162 /nfs/dbraw/zinc/22/51/62/1292225162.db2.gz ZZUMEGVNWIQBKE-MJGOQNOKSA-N 2 1 345.874 2.204 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001277368397 1302690607 /nfs/dbraw/zinc/69/06/07/1302690607.db2.gz IMWWEINPKHBXQI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001277368397 1302690621 /nfs/dbraw/zinc/69/06/21/1302690621.db2.gz IMWWEINPKHBXQI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001277368397 1302690638 /nfs/dbraw/zinc/69/06/38/1302690638.db2.gz IMWWEINPKHBXQI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001277368397 1302690664 /nfs/dbraw/zinc/69/06/64/1302690664.db2.gz IMWWEINPKHBXQI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001278200332 1306283239 /nfs/dbraw/zinc/28/32/39/1306283239.db2.gz DIDXFFLYOGLWNA-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001278550565 1317211769 /nfs/dbraw/zinc/21/17/69/1317211769.db2.gz UOMPCAFZZVSBST-LPHOPBHVSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001263905016 1322551823 /nfs/dbraw/zinc/55/18/23/1322551823.db2.gz IZRBYTXHWWARBV-OTWHNJEPSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001263905016 1322551827 /nfs/dbraw/zinc/55/18/27/1322551827.db2.gz IZRBYTXHWWARBV-OTWHNJEPSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001265327528 1323076315 /nfs/dbraw/zinc/07/63/15/1323076315.db2.gz ISMZSVWVNSWOFG-IAGOWNOFSA-N 2 1 342.487 2.391 10 30 EEEEMP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001266088305 1323645239 /nfs/dbraw/zinc/64/52/39/1323645239.db2.gz SQQYLVWUXFMVKJ-LJQANCHMSA-N 2 1 329.488 2.353 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001282978526 1325865148 /nfs/dbraw/zinc/86/51/48/1325865148.db2.gz XWYITKWWQAFSMX-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001282978526 1325865152 /nfs/dbraw/zinc/86/51/52/1325865152.db2.gz XWYITKWWQAFSMX-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316659734 1329875366 /nfs/dbraw/zinc/87/53/66/1329875366.db2.gz CMUONVFWBQHLJA-FRQCXROJSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492164676 1331029812 /nfs/dbraw/zinc/02/98/12/1331029812.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164676 1331029817 /nfs/dbraw/zinc/02/98/17/1331029817.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164676 1331029824 /nfs/dbraw/zinc/02/98/24/1331029824.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873962 1331943408 /nfs/dbraw/zinc/94/34/08/1331943408.db2.gz IUZUVZFCLLPBLL-PBHICJAKSA-N 2 1 334.464 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001316892511 1331958852 /nfs/dbraw/zinc/95/88/52/1331958852.db2.gz MKYISWPUUPITCI-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1cccc(C)c1 ZINC001316892511 1331958854 /nfs/dbraw/zinc/95/88/54/1331958854.db2.gz MKYISWPUUPITCI-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cccc(C)c1 ZINC001316892511 1331958858 /nfs/dbraw/zinc/95/88/58/1331958858.db2.gz MKYISWPUUPITCI-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cccc(C)c1 ZINC001316892511 1331958859 /nfs/dbraw/zinc/95/88/59/1331958859.db2.gz MKYISWPUUPITCI-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317264011 1332157835 /nfs/dbraw/zinc/15/78/35/1332157835.db2.gz KKXKMFYXBMOIKW-MRXNPFEDSA-N 2 1 347.478 2.249 10 30 EEEEMP CCC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317541637 1332290479 /nfs/dbraw/zinc/29/04/79/1332290479.db2.gz YTCJURGVIKMVOD-LJQANCHMSA-N 2 1 347.478 2.346 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C ZINC001320449423 1332886695 /nfs/dbraw/zinc/88/66/95/1332886695.db2.gz AONQTQRMDZVZQG-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C ZINC001320449423 1332886698 /nfs/dbraw/zinc/88/66/98/1332886698.db2.gz AONQTQRMDZVZQG-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320523823 1332903188 /nfs/dbraw/zinc/90/31/88/1332903188.db2.gz RKMLKWFWYOMDAV-HKUYNNGSSA-N 2 1 327.472 2.007 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320733743 1332942500 /nfs/dbraw/zinc/94/25/00/1332942500.db2.gz AQZCSCCCJKSLLM-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323542231 1333485624 /nfs/dbraw/zinc/48/56/24/1333485624.db2.gz NHHJERVHNCKWBV-SFHVURJKSA-N 2 1 325.472 2.404 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001323733354 1333526786 /nfs/dbraw/zinc/52/67/86/1333526786.db2.gz GMZJOKFNMDYXOQ-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001323733354 1333526789 /nfs/dbraw/zinc/52/67/89/1333526789.db2.gz GMZJOKFNMDYXOQ-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001323733354 1333526791 /nfs/dbraw/zinc/52/67/91/1333526791.db2.gz GMZJOKFNMDYXOQ-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001323735655 1333527584 /nfs/dbraw/zinc/52/75/84/1333527584.db2.gz AYNBTVYMMPZOIH-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](CCF)CC1 ZINC001324419550 1333679077 /nfs/dbraw/zinc/67/90/77/1333679077.db2.gz BECWXSDVBXVSPT-KRWDZBQOSA-N 2 1 325.472 2.003 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325054770 1333819924 /nfs/dbraw/zinc/81/99/24/1333819924.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325054770 1333819926 /nfs/dbraw/zinc/81/99/26/1333819926.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325054770 1333819928 /nfs/dbraw/zinc/81/99/28/1333819928.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325416204 1333882339 /nfs/dbraw/zinc/88/23/39/1333882339.db2.gz KWDRXYMFVMNOOV-HUUCEWRRSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCCCCC)C[C@@H]2C1 ZINC001325741243 1333951814 /nfs/dbraw/zinc/95/18/14/1333951814.db2.gz WFLVJOLGOHAIJD-ZCNNSNEGSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCCCCC)C[C@@H]2C1 ZINC001325741243 1333951816 /nfs/dbraw/zinc/95/18/16/1333951816.db2.gz WFLVJOLGOHAIJD-ZCNNSNEGSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCCC)C[C@@H]2C1 ZINC001325741243 1333951817 /nfs/dbraw/zinc/95/18/17/1333951817.db2.gz WFLVJOLGOHAIJD-ZCNNSNEGSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCCC)C[C@@H]2C1 ZINC001325741243 1333951818 /nfs/dbraw/zinc/95/18/18/1333951818.db2.gz WFLVJOLGOHAIJD-ZCNNSNEGSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001326645986 1334132434 /nfs/dbraw/zinc/13/24/34/1334132434.db2.gz BQIOMQMKPHQGPJ-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001326645986 1334132438 /nfs/dbraw/zinc/13/24/38/1334132438.db2.gz BQIOMQMKPHQGPJ-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001326645986 1334132440 /nfs/dbraw/zinc/13/24/40/1334132440.db2.gz BQIOMQMKPHQGPJ-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001326645986 1334132444 /nfs/dbraw/zinc/13/24/44/1334132444.db2.gz BQIOMQMKPHQGPJ-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001328467867 1334463164 /nfs/dbraw/zinc/46/31/64/1334463164.db2.gz HNXDNBMHUIPRMS-IBGZPJMESA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001328467867 1334463167 /nfs/dbraw/zinc/46/31/67/1334463167.db2.gz HNXDNBMHUIPRMS-IBGZPJMESA-N 2 1 339.483 2.067 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808135 1334526101 /nfs/dbraw/zinc/52/61/01/1334526101.db2.gz NPLGFQWNTXESQK-WOJBJXKFSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001331472957 1335019995 /nfs/dbraw/zinc/01/99/95/1335019995.db2.gz CCESADZYCKGQJS-WMZOPIPTSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001331472957 1335019998 /nfs/dbraw/zinc/01/99/98/1335019998.db2.gz CCESADZYCKGQJS-WMZOPIPTSA-N 2 1 331.504 2.101 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021431 1335949112 /nfs/dbraw/zinc/94/91/12/1335949112.db2.gz OWCFVDLFKBRMKI-HUUCEWRRSA-N 2 1 347.425 2.416 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001566939536 1342655384 /nfs/dbraw/zinc/65/53/84/1342655384.db2.gz FIQQYONEWNJHHQ-OALUTQOASA-N 2 1 331.504 2.387 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(CC)CC)C1 ZINC001567192533 1342709340 /nfs/dbraw/zinc/70/93/40/1342709340.db2.gz BLWJNMVGSIDZHE-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001567192533 1342709344 /nfs/dbraw/zinc/70/93/44/1342709344.db2.gz BLWJNMVGSIDZHE-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001567192533 1342709346 /nfs/dbraw/zinc/70/93/46/1342709346.db2.gz BLWJNMVGSIDZHE-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001567192533 1342709350 /nfs/dbraw/zinc/70/93/50/1342709350.db2.gz BLWJNMVGSIDZHE-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001661169181 1354600207 /nfs/dbraw/zinc/60/02/07/1354600207.db2.gz VRQUJQFEUSHYSV-AABGKKOBSA-N 2 1 341.499 2.392 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001662930452 1354877350 /nfs/dbraw/zinc/87/73/50/1354877350.db2.gz XCVZOLMFPDLPOE-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001662930452 1354877354 /nfs/dbraw/zinc/87/73/54/1354877354.db2.gz XCVZOLMFPDLPOE-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663120292 1354921482 /nfs/dbraw/zinc/92/14/82/1354921482.db2.gz SJPHEPKTSFITCK-LJQANCHMSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001672177145 1356474357 /nfs/dbraw/zinc/47/43/57/1356474357.db2.gz SBOLFHMLLQGZLR-MOPGFXCFSA-N 2 1 327.472 2.113 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1CC ZINC001672183081 1356475537 /nfs/dbraw/zinc/47/55/37/1356475537.db2.gz MGPUBTBPECWUNE-LJQANCHMSA-N 2 1 329.488 2.359 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001672530952 1356546322 /nfs/dbraw/zinc/54/63/22/1356546322.db2.gz OPFLSYJJADWMOB-PMACEKPBSA-N 2 1 339.483 2.055 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001672796413 1356585784 /nfs/dbraw/zinc/58/57/84/1356585784.db2.gz OHKMJUAQBLDMGU-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001672796413 1356585786 /nfs/dbraw/zinc/58/57/86/1356585786.db2.gz OHKMJUAQBLDMGU-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915949 1356614169 /nfs/dbraw/zinc/61/41/69/1356614169.db2.gz LFHGXACZXMIJDZ-HNNXBMFYSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001699011059 1405224875 /nfs/dbraw/zinc/22/48/75/1405224875.db2.gz LJFYMFFRMMMZSE-SFHVURJKSA-N 2 1 335.536 2.404 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907876553 784928919 /nfs/dbraw/zinc/92/89/19/784928919.db2.gz FLXIZOUVBXRYRO-KDURUIRLSA-N 2 1 327.472 2.085 10 30 EEEEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OCC#N)cc1 ZINC000817984214 785133469 /nfs/dbraw/zinc/13/34/69/785133469.db2.gz WBFRFXBQMJMHNT-IVMQYODDSA-N 2 1 342.487 2.456 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000923494423 789666103 /nfs/dbraw/zinc/66/61/03/789666103.db2.gz XKBOMNPPHCCXOY-CGTJXYLNSA-N 2 1 348.487 2.080 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001566124400 1125572249 /nfs/dbraw/zinc/57/22/49/1125572249.db2.gz ROECKQLJGYSCPA-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001566124400 1125572253 /nfs/dbraw/zinc/57/22/53/1125572253.db2.gz ROECKQLJGYSCPA-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740554 /nfs/dbraw/zinc/74/05/54/1125740554.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740560 /nfs/dbraw/zinc/74/05/60/1125740560.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740567 /nfs/dbraw/zinc/74/05/67/1125740567.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 2 1 342.487 2.228 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687736 1092633313 /nfs/dbraw/zinc/63/33/13/1092633313.db2.gz SKSLUGHOMIWGNX-HZPDHXFCSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001449023938 1094030763 /nfs/dbraw/zinc/03/07/63/1094030763.db2.gz AVXOIXMXWBOYKZ-ARFHVFGLSA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001449032756 1094044250 /nfs/dbraw/zinc/04/42/50/1094044250.db2.gz JAZLPCAPXZBJQX-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001449032756 1094044257 /nfs/dbraw/zinc/04/42/57/1094044257.db2.gz JAZLPCAPXZBJQX-CJNGLKHVSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903438 1096066780 /nfs/dbraw/zinc/06/67/80/1096066780.db2.gz UESJFFAIJYXGHP-MOPGFXCFSA-N 2 1 342.487 2.273 10 30 EEEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001479632907 1098660522 /nfs/dbraw/zinc/66/05/22/1098660522.db2.gz PSUOXEIZZVDGLG-RCCFBDPRSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001479632907 1098660525 /nfs/dbraw/zinc/66/05/25/1098660525.db2.gz PSUOXEIZZVDGLG-RCCFBDPRSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001479632907 1098660527 /nfs/dbraw/zinc/66/05/27/1098660527.db2.gz PSUOXEIZZVDGLG-RCCFBDPRSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001479632907 1098660532 /nfs/dbraw/zinc/66/05/32/1098660532.db2.gz PSUOXEIZZVDGLG-RCCFBDPRSA-N 2 1 339.524 2.257 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001480481223 1100290718 /nfs/dbraw/zinc/29/07/18/1100290718.db2.gz WPGJYYMSKRGHCZ-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001480481223 1100290720 /nfs/dbraw/zinc/29/07/20/1100290720.db2.gz WPGJYYMSKRGHCZ-OCCSQVGLSA-N 2 1 339.892 2.093 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001495583385 1101289325 /nfs/dbraw/zinc/28/93/25/1101289325.db2.gz LDLUDFXWPNXTEU-QGZVFWFLSA-N 2 1 325.416 2.038 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001480598213 1106736988 /nfs/dbraw/zinc/73/69/88/1106736988.db2.gz ZGWRJBVTDAOMGU-OAHLLOKOSA-N 2 1 335.879 2.126 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001480715491 1106946581 /nfs/dbraw/zinc/94/65/81/1106946581.db2.gz ZKHNQSWDBBDTMG-VQTJNVASSA-N 2 1 339.483 2.085 10 30 EEEEMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480729018 1106988393 /nfs/dbraw/zinc/98/83/93/1106988393.db2.gz CEBZBMNEKMCHRM-WOJBJXKFSA-N 2 1 341.499 2.301 10 30 EEEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066435 1108530222 /nfs/dbraw/zinc/53/02/22/1108530222.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066435 1108530242 /nfs/dbraw/zinc/53/02/42/1108530242.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066435 1108530254 /nfs/dbraw/zinc/53/02/54/1108530254.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807132 1108687316 /nfs/dbraw/zinc/68/73/16/1108687316.db2.gz VZLUGIHDFGPUHY-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001502966452 1113863969 /nfs/dbraw/zinc/86/39/69/1113863969.db2.gz DGUBLQZQHIMJDO-KGLIPLIRSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001506992258 1115037404 /nfs/dbraw/zinc/03/74/04/1115037404.db2.gz COWQSAPWUTVMAV-RTBURBONSA-N 2 1 342.487 2.130 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001507089477 1115102385 /nfs/dbraw/zinc/10/23/85/1115102385.db2.gz BYWFSFGCGLZFRG-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001507089477 1115102387 /nfs/dbraw/zinc/10/23/87/1115102387.db2.gz BYWFSFGCGLZFRG-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001568061092 1124266530 /nfs/dbraw/zinc/26/65/30/1124266530.db2.gz ZTATVQNHYNEAFH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001568061092 1124266537 /nfs/dbraw/zinc/26/65/37/1124266537.db2.gz ZTATVQNHYNEAFH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001568516356 1124580531 /nfs/dbraw/zinc/58/05/31/1124580531.db2.gz WHOXTYWYMMHZOI-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700107 1124714637 /nfs/dbraw/zinc/71/46/37/1124714637.db2.gz KNNILYGCSZPVFR-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000424179390 277168282 /nfs/dbraw/zinc/16/82/82/277168282.db2.gz YVTKKJYIOAAPBZ-PMPSAXMXSA-N 2 1 334.851 2.223 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000424179390 277168283 /nfs/dbraw/zinc/16/82/83/277168283.db2.gz YVTKKJYIOAAPBZ-PMPSAXMXSA-N 2 1 334.851 2.223 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179171973 464073225 /nfs/dbraw/zinc/07/32/25/464073225.db2.gz WJCXAAFSKLQSBQ-OALUTQOASA-N 2 1 342.487 2.381 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374100296 467001534 /nfs/dbraw/zinc/00/15/34/467001534.db2.gz SFPAGUUYNOXVDI-LJQANCHMSA-N 2 1 348.535 2.189 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597941889 468719073 /nfs/dbraw/zinc/71/90/73/468719073.db2.gz GFAQCKGDFUIKDB-INIZCTEOSA-N 2 1 342.487 2.244 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597941889 468719075 /nfs/dbraw/zinc/71/90/75/468719075.db2.gz GFAQCKGDFUIKDB-INIZCTEOSA-N 2 1 342.487 2.244 10 30 EEEEMP Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425220 469262837 /nfs/dbraw/zinc/26/28/37/469262837.db2.gz QTHJRKXUWWFHLO-UHFFFAOYSA-N 2 1 343.450 2.271 10 30 EEEEMP Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+](C)CCC[NH+](C)C ZINC000596425220 469262839 /nfs/dbraw/zinc/26/28/39/469262839.db2.gz QTHJRKXUWWFHLO-UHFFFAOYSA-N 2 1 343.450 2.271 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701977 472214915 /nfs/dbraw/zinc/21/49/15/472214915.db2.gz VVDRUJBKHDNFAB-FPOVZHCZSA-N 2 1 341.499 2.366 10 30 EEEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)cc2C#N)C1 ZINC000774774931 577417543 /nfs/dbraw/zinc/41/75/43/577417543.db2.gz ISUQLLBGEKUCIJ-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)cc2C#N)C1 ZINC000774774931 577417546 /nfs/dbraw/zinc/41/75/46/577417546.db2.gz ISUQLLBGEKUCIJ-OAHLLOKOSA-N 2 1 336.823 2.319 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658521 1191878871 /nfs/dbraw/zinc/87/88/71/1191878871.db2.gz VQYJDKLNKDBJTR-XUVXKRRUSA-N 2 1 345.531 2.493 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001691960717 1176080342 /nfs/dbraw/zinc/08/03/42/1176080342.db2.gz BNIXYTWMJNGBAZ-SJORKVTESA-N 2 1 330.476 2.200 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001691960717 1176080351 /nfs/dbraw/zinc/08/03/51/1176080351.db2.gz BNIXYTWMJNGBAZ-SJORKVTESA-N 2 1 330.476 2.200 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266713067 1177251400 /nfs/dbraw/zinc/25/14/00/1177251400.db2.gz OBPUHHXOZCFNFQ-PQEBFOHHSA-N 2 1 330.476 2.345 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481119047 1179791445 /nfs/dbraw/zinc/79/14/45/1179791445.db2.gz QBEAHBUWXZSJKP-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001280096022 1184702436 /nfs/dbraw/zinc/70/24/36/1184702436.db2.gz SOMYUEQGSGWVJW-HNNXBMFYSA-N 2 1 334.464 2.144 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2CCCC2)CC1 ZINC001270359298 1185044124 /nfs/dbraw/zinc/04/41/24/1185044124.db2.gz SJFXFCXGOMMQKK-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCCC)CC1 ZINC001271772245 1186474038 /nfs/dbraw/zinc/47/40/38/1186474038.db2.gz MCPCQHFQSNABKF-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCCC)CC1 ZINC001271772245 1186474043 /nfs/dbraw/zinc/47/40/43/1186474043.db2.gz MCPCQHFQSNABKF-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCCC)CC1 ZINC001271772245 1186474047 /nfs/dbraw/zinc/47/40/47/1186474047.db2.gz MCPCQHFQSNABKF-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCCC)CC1 ZINC001271772245 1186474051 /nfs/dbraw/zinc/47/40/51/1186474051.db2.gz MCPCQHFQSNABKF-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892295 1186585633 /nfs/dbraw/zinc/58/56/33/1186585633.db2.gz RDDARLWGCHFEJP-YRXWBPOGSA-N 2 1 333.520 2.463 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482969434 1187909911 /nfs/dbraw/zinc/90/99/11/1187909911.db2.gz GTYYTVMFGJXWJN-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001670984723 1193538543 /nfs/dbraw/zinc/53/85/43/1193538543.db2.gz DTQVLMKLLMIDDI-WMZOPIPTSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001670984723 1193538544 /nfs/dbraw/zinc/53/85/44/1193538544.db2.gz DTQVLMKLLMIDDI-WMZOPIPTSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001670984723 1193538545 /nfs/dbraw/zinc/53/85/45/1193538545.db2.gz DTQVLMKLLMIDDI-WMZOPIPTSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885194 1193629649 /nfs/dbraw/zinc/62/96/49/1193629649.db2.gz GRDIEYDJBJDFDF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885194 1193629650 /nfs/dbraw/zinc/62/96/50/1193629650.db2.gz GRDIEYDJBJDFDF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001483587541 1190573410 /nfs/dbraw/zinc/57/34/10/1190573410.db2.gz HPEBZBCOUXEBKS-YJBOKZPZSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001484007045 1191152378 /nfs/dbraw/zinc/15/23/78/1191152378.db2.gz RJWNQVKXVFCNSE-PKOBYXMFSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001484371736 1191319842 /nfs/dbraw/zinc/31/98/42/1191319842.db2.gz LZNUSEHWIAXBST-IRXDYDNUSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484821034 1191540125 /nfs/dbraw/zinc/54/01/25/1191540125.db2.gz KDNDBTYCODYROD-LJQANCHMSA-N 2 1 333.520 2.350 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229897 1191698831 /nfs/dbraw/zinc/69/88/31/1191698831.db2.gz NMEMDEUPDAOCEN-ZIAGYGMSSA-N 2 1 334.439 2.020 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185848 1193726926 /nfs/dbraw/zinc/72/69/26/1193726926.db2.gz DQWJSLCDRCJJJO-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001486233927 1193785737 /nfs/dbraw/zinc/78/57/37/1193785737.db2.gz FJJUKSMHASZVKG-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001486233927 1193785741 /nfs/dbraw/zinc/78/57/41/1193785741.db2.gz FJJUKSMHASZVKG-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001410245158 1197629769 /nfs/dbraw/zinc/62/97/69/1197629769.db2.gz VSEDSUNSSOSJMO-IYARVYRRSA-N 2 1 340.471 2.027 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967730 1199832800 /nfs/dbraw/zinc/83/28/00/1199832800.db2.gz MCPFGLJSDLQSOX-DLBZAZTESA-N 2 1 335.879 2.232 10 30 EEEEMP C#CCOc1ccccc1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877665312 1200016310 /nfs/dbraw/zinc/01/63/10/1200016310.db2.gz QLFVNIKEHNNKRT-UHFFFAOYSA-N 2 1 330.472 2.489 10 30 EEEEMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCO1 ZINC000883189125 1202028413 /nfs/dbraw/zinc/02/84/13/1202028413.db2.gz YRJKAYCUSYCUNU-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001274345679 1205006492 /nfs/dbraw/zinc/00/64/92/1205006492.db2.gz XYFJVICUVKPDJK-QZTJIDSGSA-N 2 1 349.519 2.177 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274719532 1205141812 /nfs/dbraw/zinc/14/18/12/1205141812.db2.gz AOMJFYIQWZWLEN-ICSRJNTNSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)sc1C ZINC001275573858 1205422787 /nfs/dbraw/zinc/42/27/87/1205422787.db2.gz JKJUPMDKJBNLLY-KSSFIOAISA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)sc1C ZINC001275573858 1205422790 /nfs/dbraw/zinc/42/27/90/1205422790.db2.gz JKJUPMDKJBNLLY-KSSFIOAISA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)sc1C ZINC001275573858 1205422791 /nfs/dbraw/zinc/42/27/91/1205422791.db2.gz JKJUPMDKJBNLLY-KSSFIOAISA-N 2 1 347.528 2.399 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)sc1C ZINC001275573858 1205422793 /nfs/dbraw/zinc/42/27/93/1205422793.db2.gz JKJUPMDKJBNLLY-KSSFIOAISA-N 2 1 347.528 2.399 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000931073861 1206604671 /nfs/dbraw/zinc/60/46/71/1206604671.db2.gz ALNYKIYFPQTBRE-IBGZPJMESA-N 2 1 343.471 2.039 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303910268 1213923799 /nfs/dbraw/zinc/92/37/99/1213923799.db2.gz YSRNAGBIDJXYRV-MRXNPFEDSA-N 2 1 347.482 2.137 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691743050 1215080250 /nfs/dbraw/zinc/08/02/50/1215080250.db2.gz UMDFXSVITGMZOX-DAYGRLMNSA-N 2 1 325.472 2.259 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000900648322 1234607725 /nfs/dbraw/zinc/60/77/25/1234607725.db2.gz QKDSYFZQKDOBHH-LJQANCHMSA-N 2 1 344.503 2.402 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486904 1259137009 /nfs/dbraw/zinc/13/70/09/1259137009.db2.gz QYQRFERBBGELJG-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001277383123 1302758910 /nfs/dbraw/zinc/75/89/10/1302758910.db2.gz ZJGWDOQYTFFELD-UHFFFAOYSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001278177010 1306181756 /nfs/dbraw/zinc/18/17/56/1306181756.db2.gz GUKQSEDUKPOSTK-LJQANCHMSA-N 2 1 343.515 2.058 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001278615516 1317371043 /nfs/dbraw/zinc/37/10/43/1317371043.db2.gz JCXIRSPJFUMNEQ-GOSISDBHSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264036617 1322594371 /nfs/dbraw/zinc/59/43/71/1322594371.db2.gz DAGWYAIDRIOLOO-WOJBJXKFSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001264036617 1322594373 /nfs/dbraw/zinc/59/43/73/1322594373.db2.gz DAGWYAIDRIOLOO-WOJBJXKFSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264036617 1322594378 /nfs/dbraw/zinc/59/43/78/1322594378.db2.gz DAGWYAIDRIOLOO-WOJBJXKFSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264036617 1322594379 /nfs/dbraw/zinc/59/43/79/1322594379.db2.gz DAGWYAIDRIOLOO-WOJBJXKFSA-N 2 1 339.483 2.078 10 30 EEEEMP C=C(Br)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265127523 1322935452 /nfs/dbraw/zinc/93/54/52/1322935452.db2.gz CWWWUEHMMVEPNK-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265127523 1322935455 /nfs/dbraw/zinc/93/54/55/1322935455.db2.gz CWWWUEHMMVEPNK-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265127523 1322935456 /nfs/dbraw/zinc/93/54/56/1322935456.db2.gz CWWWUEHMMVEPNK-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265127523 1322935459 /nfs/dbraw/zinc/93/54/59/1322935459.db2.gz CWWWUEHMMVEPNK-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001266152911 1323722594 /nfs/dbraw/zinc/72/25/94/1323722594.db2.gz UHGZWUDRXHDUQQ-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001266152911 1323722598 /nfs/dbraw/zinc/72/25/98/1323722598.db2.gz UHGZWUDRXHDUQQ-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001280242109 1324126881 /nfs/dbraw/zinc/12/68/81/1324126881.db2.gz QXZBSCTVNXDJCD-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001276606805 1324755484 /nfs/dbraw/zinc/75/54/84/1324755484.db2.gz AOAYKXADLXOKSS-MRXNPFEDSA-N 2 1 348.491 2.036 10 30 EEEEMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001276606805 1324755490 /nfs/dbraw/zinc/75/54/90/1324755490.db2.gz AOAYKXADLXOKSS-MRXNPFEDSA-N 2 1 348.491 2.036 10 30 EEEEMP C=C(C)C[NH2+]CCCOC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001282593579 1325748543 /nfs/dbraw/zinc/74/85/43/1325748543.db2.gz LEIDTCIOZKPINI-FQEVSTJZSA-N 2 1 349.519 2.036 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317720981 1332387939 /nfs/dbraw/zinc/38/79/39/1332387939.db2.gz QDASXVJHJPROQE-RTBURBONSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942962 1332800275 /nfs/dbraw/zinc/80/02/75/1332800275.db2.gz GEMDFMDXNONJLE-AABGKKOBSA-N 2 1 341.499 2.086 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001320553141 1332908607 /nfs/dbraw/zinc/90/86/07/1332908607.db2.gz PWJINMIGIOAINJ-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C/C=C/c1ccccc1 ZINC001321097139 1333019179 /nfs/dbraw/zinc/01/91/79/1333019179.db2.gz NPMDFFORXWBXHR-JWCFYFLBSA-N 2 1 337.467 2.059 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C/C=C/c1ccccc1 ZINC001321097139 1333019183 /nfs/dbraw/zinc/01/91/83/1333019183.db2.gz NPMDFFORXWBXHR-JWCFYFLBSA-N 2 1 337.467 2.059 10 30 EEEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001323066508 1333379351 /nfs/dbraw/zinc/37/93/51/1333379351.db2.gz YGGODHRSLREDJH-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325055829 1333820522 /nfs/dbraw/zinc/82/05/22/1333820522.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325055829 1333820525 /nfs/dbraw/zinc/82/05/25/1333820525.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325055829 1333820529 /nfs/dbraw/zinc/82/05/29/1333820529.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 2 1 331.451 2.366 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001325644375 1333931534 /nfs/dbraw/zinc/93/15/34/1333931534.db2.gz VCWQYBLENOQVSA-FCGDIQPGSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001326288216 1334060171 /nfs/dbraw/zinc/06/01/71/1334060171.db2.gz FDLSYQLHXVTBCF-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001326288216 1334060174 /nfs/dbraw/zinc/06/01/74/1334060174.db2.gz FDLSYQLHXVTBCF-PMACEKPBSA-N 2 1 343.515 2.413 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001326350457 1334073864 /nfs/dbraw/zinc/07/38/64/1334073864.db2.gz SHXRDISYPUYVBR-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)CO2 ZINC001327410422 1334287176 /nfs/dbraw/zinc/28/71/76/1334287176.db2.gz AEVGIFUHIIHWAL-MSOLQXFVSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001327473693 1334298622 /nfs/dbraw/zinc/29/86/22/1334298622.db2.gz AIBISOLFJHVBGS-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001327474488 1334299109 /nfs/dbraw/zinc/29/91/09/1334299109.db2.gz LJJRGMGENDKKKE-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCCC=C)C3)CC1 ZINC001330515180 1334862589 /nfs/dbraw/zinc/86/25/89/1334862589.db2.gz VWODPBDDPISXNW-UHFFFAOYSA-N 2 1 343.515 2.222 10 30 EEEEMP C#CC[N@@H+](CC1CCOCC1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001349699866 1337640038 /nfs/dbraw/zinc/64/00/38/1337640038.db2.gz IRXCCYQTDSQCIN-UHFFFAOYSA-N 2 1 334.504 2.239 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346206 1342554784 /nfs/dbraw/zinc/55/47/84/1342554784.db2.gz JWHNKRVWUPEENN-IBGZPJMESA-N 2 1 348.535 2.382 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346206 1342554785 /nfs/dbraw/zinc/55/47/85/1342554785.db2.gz JWHNKRVWUPEENN-IBGZPJMESA-N 2 1 348.535 2.382 10 30 EEEEMP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571480107 1343217001 /nfs/dbraw/zinc/21/70/01/1343217001.db2.gz ZTKUHSVUWORRHL-IEBWSBKVSA-N 2 1 339.483 2.101 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001647018591 1353108158 /nfs/dbraw/zinc/10/81/58/1353108158.db2.gz IWFOGQOHKNFYEI-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001647018591 1353108161 /nfs/dbraw/zinc/10/81/61/1353108161.db2.gz IWFOGQOHKNFYEI-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001647018591 1353108162 /nfs/dbraw/zinc/10/81/62/1353108162.db2.gz IWFOGQOHKNFYEI-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001647018591 1353108164 /nfs/dbraw/zinc/10/81/64/1353108164.db2.gz IWFOGQOHKNFYEI-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C#N ZINC001660537271 1354484577 /nfs/dbraw/zinc/48/45/77/1354484577.db2.gz SEPOPRHGVFPSPE-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752506 1354689823 /nfs/dbraw/zinc/68/98/23/1354689823.db2.gz KREUQOJJVRXSPJ-RBUKOAKNSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001664446424 1355166257 /nfs/dbraw/zinc/16/62/57/1355166257.db2.gz BFFQWMIGPAVNGW-CQSZACIVSA-N 2 1 334.464 2.143 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001666218880 1355487030 /nfs/dbraw/zinc/48/70/30/1355487030.db2.gz GFNHWQRQLIJGHF-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001673376757 1356679369 /nfs/dbraw/zinc/67/93/69/1356679369.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001673376757 1356679373 /nfs/dbraw/zinc/67/93/73/1356679373.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001673376757 1356679376 /nfs/dbraw/zinc/67/93/76/1356679376.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674419895 1356829038 /nfs/dbraw/zinc/82/90/38/1356829038.db2.gz KHRRQTUZUYBTEL-YCEFEEMOSA-N 2 1 327.472 2.275 10 30 EEEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268395 1356955545 /nfs/dbraw/zinc/95/55/45/1356955545.db2.gz BKMFQSBFTJVBOP-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268395 1356955549 /nfs/dbraw/zinc/95/55/49/1356955549.db2.gz BKMFQSBFTJVBOP-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001675926987 1357071533 /nfs/dbraw/zinc/07/15/33/1357071533.db2.gz YQBBBNHXSPTEHN-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845829 1405104577 /nfs/dbraw/zinc/10/45/77/1405104577.db2.gz PJUDAGFUBBWQLE-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699886786 1405552308 /nfs/dbraw/zinc/55/23/08/1405552308.db2.gz HRLPFWGQUFWPOX-JKSUJKDBSA-N 2 1 343.462 2.204 10 30 EEEEMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699886786 1405552310 /nfs/dbraw/zinc/55/23/10/1405552310.db2.gz HRLPFWGQUFWPOX-JKSUJKDBSA-N 2 1 343.462 2.204 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026719 779736261 /nfs/dbraw/zinc/73/62/61/779736261.db2.gz MRUFFNPVGBSOMI-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026719 779736265 /nfs/dbraw/zinc/73/62/65/779736265.db2.gz MRUFFNPVGBSOMI-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026719 779736269 /nfs/dbraw/zinc/73/62/69/779736269.db2.gz MRUFFNPVGBSOMI-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033090 779746236 /nfs/dbraw/zinc/74/62/36/779746236.db2.gz MDWBEQPVYDPSPP-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033090 779746240 /nfs/dbraw/zinc/74/62/40/779746240.db2.gz MDWBEQPVYDPSPP-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157561 779999227 /nfs/dbraw/zinc/99/92/27/779999227.db2.gz FDBJJEGDYRONDT-LSDHHAIUSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157561 779999228 /nfs/dbraw/zinc/99/92/28/779999228.db2.gz FDBJJEGDYRONDT-LSDHHAIUSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157561 779999232 /nfs/dbraw/zinc/99/92/32/779999232.db2.gz FDBJJEGDYRONDT-LSDHHAIUSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157561 779999236 /nfs/dbraw/zinc/99/92/36/779999236.db2.gz FDBJJEGDYRONDT-LSDHHAIUSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237932 780226639 /nfs/dbraw/zinc/22/66/39/780226639.db2.gz SVXLTHXBHKSUIA-SFHVURJKSA-N 2 1 331.504 2.124 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000922328135 800605114 /nfs/dbraw/zinc/60/51/14/800605114.db2.gz DUAYSLPDESEPHZ-IBGZPJMESA-N 2 1 346.519 2.180 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001566128625 1125578549 /nfs/dbraw/zinc/57/85/49/1125578549.db2.gz XBCNLDGFLJLYAF-HNNXBMFYSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001566128625 1125578554 /nfs/dbraw/zinc/57/85/54/1125578554.db2.gz XBCNLDGFLJLYAF-HNNXBMFYSA-N 2 1 348.516 2.178 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC=C)CC1 ZINC001495521043 1101233268 /nfs/dbraw/zinc/23/32/68/1101233268.db2.gz QNWJBGHECVYFQQ-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC=C)CC1 ZINC001495521043 1101233273 /nfs/dbraw/zinc/23/32/73/1101233273.db2.gz QNWJBGHECVYFQQ-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1F ZINC001497600615 1102730486 /nfs/dbraw/zinc/73/04/86/1102730486.db2.gz KWDNABSLHAPTLY-FQEKARNZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1F ZINC001497600615 1102730495 /nfs/dbraw/zinc/73/04/95/1102730495.db2.gz KWDNABSLHAPTLY-FQEKARNZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082371 1103494256 /nfs/dbraw/zinc/49/42/56/1103494256.db2.gz FDICQXBVKSLGPF-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001494862006 1104467233 /nfs/dbraw/zinc/46/72/33/1104467233.db2.gz GOBURQHMCKSMAD-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001494862006 1104467238 /nfs/dbraw/zinc/46/72/38/1104467238.db2.gz GOBURQHMCKSMAD-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862006 1104467240 /nfs/dbraw/zinc/46/72/40/1104467240.db2.gz GOBURQHMCKSMAD-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862006 1104467243 /nfs/dbraw/zinc/46/72/43/1104467243.db2.gz GOBURQHMCKSMAD-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730824 1106993116 /nfs/dbraw/zinc/99/31/16/1106993116.db2.gz MHDBCMYHEGPNJE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480730824 1106993125 /nfs/dbraw/zinc/99/31/25/1106993125.db2.gz MHDBCMYHEGPNJE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480730824 1106993133 /nfs/dbraw/zinc/99/31/33/1106993133.db2.gz MHDBCMYHEGPNJE-MOPGFXCFSA-N 2 1 331.504 2.340 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001480735349 1107009208 /nfs/dbraw/zinc/00/92/08/1107009208.db2.gz SZZUNOBJNMYEOK-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001480735349 1107009225 /nfs/dbraw/zinc/00/92/25/1107009225.db2.gz SZZUNOBJNMYEOK-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001493846970 1108730214 /nfs/dbraw/zinc/73/02/14/1108730214.db2.gz MLVZTYLEGNKKAM-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145871 1113214184 /nfs/dbraw/zinc/21/41/84/1113214184.db2.gz GWDRSZZSZDFJRQ-APWZRJJASA-N 2 1 342.487 2.084 10 30 EEEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001506892663 1114954864 /nfs/dbraw/zinc/95/48/64/1114954864.db2.gz XNKCRHHETDQSJV-LNLFQRSKSA-N 2 1 331.504 2.291 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037787 1115074056 /nfs/dbraw/zinc/07/40/56/1115074056.db2.gz YLBYSZLCVZPSQQ-IBGZPJMESA-N 2 1 342.487 2.225 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001568363053 1124438487 /nfs/dbraw/zinc/43/84/87/1124438487.db2.gz NUIJPBMLWUREBA-IEBWSBKVSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923107 1124952145 /nfs/dbraw/zinc/95/21/45/1124952145.db2.gz KKDBSOQGYPQKQZ-HKVOBHHDSA-N 2 1 327.472 2.170 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001569342354 1125243058 /nfs/dbraw/zinc/24/30/58/1125243058.db2.gz GZBVZVTYGXMEPC-VQTJNVASSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001569342354 1125243067 /nfs/dbraw/zinc/24/30/67/1125243067.db2.gz GZBVZVTYGXMEPC-VQTJNVASSA-N 2 1 341.499 2.358 10 30 EEEEMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594445178 468591659 /nfs/dbraw/zinc/59/16/59/468591659.db2.gz BCFCDAAWRMKWPH-JKSUJKDBSA-N 2 1 336.867 2.470 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600718506 468633165 /nfs/dbraw/zinc/63/31/65/468633165.db2.gz XWUDDPLXQBWART-MSOLQXFVSA-N 2 1 337.508 2.302 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597942273 468719554 /nfs/dbraw/zinc/71/95/54/468719554.db2.gz JTIJRMNBNODEAW-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597942273 468719558 /nfs/dbraw/zinc/71/95/58/468719558.db2.gz JTIJRMNBNODEAW-ZDUSSCGKSA-N 2 1 336.867 2.213 10 30 EEEEMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338346 469216895 /nfs/dbraw/zinc/21/68/95/469216895.db2.gz AMGUJNQDULFQOO-FXAWDEMLSA-N 2 1 326.488 2.325 10 30 EEEEMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338346 469216898 /nfs/dbraw/zinc/21/68/98/469216898.db2.gz AMGUJNQDULFQOO-FXAWDEMLSA-N 2 1 326.488 2.325 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261999739 677809308 /nfs/dbraw/zinc/80/93/08/677809308.db2.gz UBUPIMMIXZUKSI-FIDHJVLJSA-N 2 1 336.524 2.084 10 30 EEEEMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947570 682552522 /nfs/dbraw/zinc/55/25/22/682552522.db2.gz GJLYPBGEXTXLHX-RDTXWAMCSA-N 2 1 344.507 2.146 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262022506 682877886 /nfs/dbraw/zinc/87/78/86/682877886.db2.gz ZBIZJHYAFOWEPY-AVEIZBFRSA-N 2 1 348.535 2.228 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001772514882 1176504163 /nfs/dbraw/zinc/50/41/63/1176504163.db2.gz DWWDWDLHGXZOLL-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001266466491 1176588970 /nfs/dbraw/zinc/58/89/70/1176588970.db2.gz PPJAWZVTEXENBS-FQEVSTJZSA-N 2 1 341.499 2.160 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895037 1177739813 /nfs/dbraw/zinc/73/98/13/1177739813.db2.gz LHCMPJCZTYWSHR-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895037 1177739816 /nfs/dbraw/zinc/73/98/16/1177739816.db2.gz LHCMPJCZTYWSHR-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267190174 1178461539 /nfs/dbraw/zinc/46/15/39/1178461539.db2.gz DMMJGUYQEXTACL-IEBWSBKVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001481342059 1181072776 /nfs/dbraw/zinc/07/27/76/1181072776.db2.gz CKEAQLDYECCSSH-VQIMIIECSA-N 2 1 327.472 2.139 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406442 1181238277 /nfs/dbraw/zinc/23/82/77/1181238277.db2.gz SLXJXBQRBZKTCP-FUHWJXTLSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406442 1181238286 /nfs/dbraw/zinc/23/82/86/1181238286.db2.gz SLXJXBQRBZKTCP-FUHWJXTLSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494582 1181562611 /nfs/dbraw/zinc/56/26/11/1181562611.db2.gz VPWDVSKEDGIQRQ-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481494582 1181562616 /nfs/dbraw/zinc/56/26/16/1181562616.db2.gz VPWDVSKEDGIQRQ-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481494582 1181562621 /nfs/dbraw/zinc/56/26/21/1181562621.db2.gz VPWDVSKEDGIQRQ-IEBWSBKVSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001486182850 1193701772 /nfs/dbraw/zinc/70/17/72/1193701772.db2.gz AEQOXBULHZTBLG-AEFFLSMTSA-N 2 1 337.508 2.033 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523454 1183176841 /nfs/dbraw/zinc/17/68/41/1183176841.db2.gz QOOKTZUEBNUPIT-DCKQQPRJSA-N 2 1 345.874 2.048 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268686570 1183609655 /nfs/dbraw/zinc/60/96/55/1183609655.db2.gz HXPNFACOUHRRCR-ZMSDIMECSA-N 2 1 347.890 2.126 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376641 1183886990 /nfs/dbraw/zinc/88/69/90/1183886990.db2.gz WSQPEVXTDLMRCK-KBPBESRZSA-N 2 1 335.414 2.129 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269746775 1184586218 /nfs/dbraw/zinc/58/62/18/1184586218.db2.gz JZLBEGXBOUHOBP-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[C@H](C)N1CC(N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001269838664 1184657678 /nfs/dbraw/zinc/65/76/78/1184657678.db2.gz HXZUHBMUSSNXNM-LPHOPBHVSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482289563 1185103970 /nfs/dbraw/zinc/10/39/70/1185103970.db2.gz UPWWJLUXTNHPKD-WMLDXEAASA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001482289563 1185103975 /nfs/dbraw/zinc/10/39/75/1185103975.db2.gz UPWWJLUXTNHPKD-WMLDXEAASA-N 2 1 333.480 2.193 10 30 EEEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001270796038 1185390671 /nfs/dbraw/zinc/39/06/71/1185390671.db2.gz CFMIJWJQHROMOR-SVFBPWRDSA-N 2 1 341.499 2.346 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001482479604 1186054837 /nfs/dbraw/zinc/05/48/37/1186054837.db2.gz CUGKIWQEUGBDJO-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001482479604 1186054842 /nfs/dbraw/zinc/05/48/42/1186054842.db2.gz CUGKIWQEUGBDJO-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001482553142 1186702357 /nfs/dbraw/zinc/70/23/57/1186702357.db2.gz NAFQVPVZNXFREI-HSALFYBXSA-N 2 1 341.499 2.086 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483930157 1191121926 /nfs/dbraw/zinc/12/19/26/1191121926.db2.gz ZDOWCPBWHDUCDX-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484198612 1191269590 /nfs/dbraw/zinc/26/95/90/1191269590.db2.gz KETYONOOBFNKFV-OAHLLOKOSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001484561307 1191416650 /nfs/dbraw/zinc/41/66/50/1191416650.db2.gz AFKZDFBKQVRSNG-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001484561307 1191416652 /nfs/dbraw/zinc/41/66/52/1191416652.db2.gz AFKZDFBKQVRSNG-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001484815603 1191534684 /nfs/dbraw/zinc/53/46/84/1191534684.db2.gz QEFGMGCLPJZVOC-KRWDZBQOSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001484940947 1191586637 /nfs/dbraw/zinc/58/66/37/1191586637.db2.gz SZFVFBHCLKQFSV-QGZVFWFLSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001484940947 1191586641 /nfs/dbraw/zinc/58/66/41/1191586641.db2.gz SZFVFBHCLKQFSV-QGZVFWFLSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485037664 1191627324 /nfs/dbraw/zinc/62/73/24/1191627324.db2.gz SBQYLDQXGVOSDN-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155654 1191668482 /nfs/dbraw/zinc/66/84/82/1191668482.db2.gz CLRKBDSSFXOYLV-ZIAGYGMSSA-N 2 1 346.450 2.164 10 30 EEEEMP C=C(C)C[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001485452719 1191790360 /nfs/dbraw/zinc/79/03/60/1191790360.db2.gz JEJRDCDIKAARMH-UHFFFAOYSA-N 2 1 334.464 2.335 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183660 1193722672 /nfs/dbraw/zinc/72/26/72/1193722672.db2.gz KPEFDUUNUAOJDK-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183660 1193722677 /nfs/dbraw/zinc/72/26/77/1193722677.db2.gz KPEFDUUNUAOJDK-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183660 1193722685 /nfs/dbraw/zinc/72/26/85/1193722685.db2.gz KPEFDUUNUAOJDK-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183660 1193722689 /nfs/dbraw/zinc/72/26/89/1193722689.db2.gz KPEFDUUNUAOJDK-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001273154459 1197103909 /nfs/dbraw/zinc/10/39/09/1197103909.db2.gz OCZPLTOGPPSGBW-SFHVURJKSA-N 2 1 339.483 2.008 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001273261258 1197849517 /nfs/dbraw/zinc/84/95/17/1197849517.db2.gz SKMXOEPAKTWTBR-PKOBYXMFSA-N 2 1 349.519 2.034 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001411199098 1198897511 /nfs/dbraw/zinc/89/75/11/1198897511.db2.gz USWVRNDLPGDAGO-UHFFFAOYSA-N 2 1 330.476 2.179 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001411232998 1198943737 /nfs/dbraw/zinc/94/37/37/1198943737.db2.gz IVGJOOMMDBOLBM-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001411232998 1198943740 /nfs/dbraw/zinc/94/37/40/1198943740.db2.gz IVGJOOMMDBOLBM-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767323 1199765271 /nfs/dbraw/zinc/76/52/71/1199765271.db2.gz GPQHHFQUHQDIGP-RRQGHBQHSA-N 2 1 335.879 2.483 10 30 EEEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001691726137 1204220943 /nfs/dbraw/zinc/22/09/43/1204220943.db2.gz HMCCVCCUTULYEV-INIZCTEOSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC/C=C\CC ZINC001275116396 1205260944 /nfs/dbraw/zinc/26/09/44/1205260944.db2.gz XLMRDCFSERIHRM-MGBKSAOESA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C\CC ZINC001275116396 1205260945 /nfs/dbraw/zinc/26/09/45/1205260945.db2.gz XLMRDCFSERIHRM-MGBKSAOESA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C\CC ZINC001275116396 1205260946 /nfs/dbraw/zinc/26/09/46/1205260946.db2.gz XLMRDCFSERIHRM-MGBKSAOESA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C\CC ZINC001275116396 1205260948 /nfs/dbraw/zinc/26/09/48/1205260948.db2.gz XLMRDCFSERIHRM-MGBKSAOESA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001276327143 1215734573 /nfs/dbraw/zinc/73/45/73/1215734573.db2.gz QBTUXNSVPZXRKJ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001276327143 1215734576 /nfs/dbraw/zinc/73/45/76/1215734576.db2.gz QBTUXNSVPZXRKJ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001276327143 1215734582 /nfs/dbraw/zinc/73/45/82/1215734582.db2.gz QBTUXNSVPZXRKJ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001276327143 1215734584 /nfs/dbraw/zinc/73/45/84/1215734584.db2.gz QBTUXNSVPZXRKJ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001267894196 1276792766 /nfs/dbraw/zinc/79/27/66/1276792766.db2.gz USVHTDHESAQLJB-INIZCTEOSA-N 2 1 346.475 2.288 10 30 EEEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001490698145 1291629087 /nfs/dbraw/zinc/62/90/87/1291629087.db2.gz ALYKZUTXTARECA-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001490775432 1291721828 /nfs/dbraw/zinc/72/18/28/1291721828.db2.gz WJKGLBFDVQZQKJ-GOSISDBHSA-N 2 1 330.476 2.165 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001490775432 1291721834 /nfs/dbraw/zinc/72/18/34/1291721834.db2.gz WJKGLBFDVQZQKJ-GOSISDBHSA-N 2 1 330.476 2.165 10 30 EEEEMP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000852098604 1291991997 /nfs/dbraw/zinc/99/19/97/1291991997.db2.gz RDOYKLLTIYDUGP-FXAWDEMLSA-N 2 1 327.472 2.283 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862167034 1295732867 /nfs/dbraw/zinc/73/28/67/1295732867.db2.gz PHBHAJIKLAHICG-INIZCTEOSA-N 2 1 344.503 2.224 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862167034 1295732876 /nfs/dbraw/zinc/73/28/76/1295732876.db2.gz PHBHAJIKLAHICG-INIZCTEOSA-N 2 1 344.503 2.224 10 30 EEEEMP C#CCN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CC[NH+](CCC=C)CC1 ZINC001278188465 1306225555 /nfs/dbraw/zinc/22/55/55/1306225555.db2.gz QGXRPTSSVFOBBR-MRXNPFEDSA-N 2 1 328.460 2.091 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C1CCCC1 ZINC001278251982 1308915804 /nfs/dbraw/zinc/91/58/04/1308915804.db2.gz QRGFLDIINMOWIL-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C1CCCC1 ZINC001278251982 1308915807 /nfs/dbraw/zinc/91/58/07/1308915807.db2.gz QRGFLDIINMOWIL-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC(=C)C)C1 ZINC001278663014 1317593317 /nfs/dbraw/zinc/59/33/17/1317593317.db2.gz HPGDZPPRXTYQEG-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC(=C)C)C1 ZINC001278663014 1317593323 /nfs/dbraw/zinc/59/33/23/1317593323.db2.gz HPGDZPPRXTYQEG-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(=C)C)C1 ZINC001278663014 1317593325 /nfs/dbraw/zinc/59/33/25/1317593325.db2.gz HPGDZPPRXTYQEG-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(=C)C)C1 ZINC001278663014 1317593331 /nfs/dbraw/zinc/59/33/31/1317593331.db2.gz HPGDZPPRXTYQEG-ICSRJNTNSA-N 2 1 331.504 2.269 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264036971 1322594299 /nfs/dbraw/zinc/59/42/99/1322594299.db2.gz QPPQTJABVICTPI-RTBURBONSA-N 2 1 329.488 2.489 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC(=C)C)CC1 ZINC001264745628 1322800715 /nfs/dbraw/zinc/80/07/15/1322800715.db2.gz NKUCCTCXGPPGED-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001281086484 1322816404 /nfs/dbraw/zinc/81/64/04/1322816404.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001281086484 1322816405 /nfs/dbraw/zinc/81/64/05/1322816405.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001281086484 1322816407 /nfs/dbraw/zinc/81/64/07/1322816407.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663058 1323305516 /nfs/dbraw/zinc/30/55/16/1323305516.db2.gz CUOGQWYMSJYGGB-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790677 1323382877 /nfs/dbraw/zinc/38/28/77/1323382877.db2.gz QHXYYRJXBLUGTK-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001265823263 1323403026 /nfs/dbraw/zinc/40/30/26/1323403026.db2.gz FUSJWYWUFKSNPU-QGZVFWFLSA-N 2 1 329.488 2.110 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265930628 1323495051 /nfs/dbraw/zinc/49/50/51/1323495051.db2.gz FWKCHLDCPFTOOH-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266225031 1323797531 /nfs/dbraw/zinc/79/75/31/1323797531.db2.gz ICQLCOZRZBPJDQ-MRXNPFEDSA-N 2 1 342.443 2.040 10 30 EEEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](F)C[NH+](CC)CC)cc2C1 ZINC001281292403 1324939528 /nfs/dbraw/zinc/93/95/28/1324939528.db2.gz DFAHPUQSIAWHPG-SFHVURJKSA-N 2 1 333.451 2.484 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281979514 1325553318 /nfs/dbraw/zinc/55/33/18/1325553318.db2.gz AWRWQRLWACOLKF-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282477752 1325729314 /nfs/dbraw/zinc/72/93/14/1325729314.db2.gz JDFRYXTZOGEFDN-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282477752 1325729315 /nfs/dbraw/zinc/72/93/15/1325729315.db2.gz JDFRYXTZOGEFDN-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282477752 1325729318 /nfs/dbraw/zinc/72/93/18/1325729318.db2.gz JDFRYXTZOGEFDN-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282477752 1325729321 /nfs/dbraw/zinc/72/93/21/1325729321.db2.gz JDFRYXTZOGEFDN-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001282782322 1325785584 /nfs/dbraw/zinc/78/55/84/1325785584.db2.gz RDUVNKBAJFDONS-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229378 1326467419 /nfs/dbraw/zinc/46/74/19/1326467419.db2.gz YIXADKHJWUCNNK-WOJBJXKFSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CC(C)C)cc1 ZINC001491900605 1330296211 /nfs/dbraw/zinc/29/62/11/1330296211.db2.gz SHWXHDZLVDOADN-FQEVSTJZSA-N 2 1 341.499 2.189 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CC(C)C)cc1 ZINC001491900605 1330296213 /nfs/dbraw/zinc/29/62/13/1330296213.db2.gz SHWXHDZLVDOADN-FQEVSTJZSA-N 2 1 341.499 2.189 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031324 1330456212 /nfs/dbraw/zinc/45/62/12/1330456212.db2.gz KHUKGBWSEIYQAH-AZUAARDMSA-N 2 1 341.499 2.397 10 30 EEEEMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001317292743 1332167100 /nfs/dbraw/zinc/16/71/00/1332167100.db2.gz CAZNCEQEMPJEKF-RXVVDRJESA-N 2 1 349.478 2.435 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001317396757 1332213367 /nfs/dbraw/zinc/21/33/67/1332213367.db2.gz PRSOMYSEZPSDCG-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001317396757 1332213369 /nfs/dbraw/zinc/21/33/69/1332213369.db2.gz PRSOMYSEZPSDCG-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317790683 1332410344 /nfs/dbraw/zinc/41/03/44/1332410344.db2.gz WPIUQSXCFYTVIA-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317790683 1332410347 /nfs/dbraw/zinc/41/03/47/1332410347.db2.gz WPIUQSXCFYTVIA-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001317790683 1332410348 /nfs/dbraw/zinc/41/03/48/1332410348.db2.gz WPIUQSXCFYTVIA-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001317790683 1332410351 /nfs/dbraw/zinc/41/03/51/1332410351.db2.gz WPIUQSXCFYTVIA-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001320423147 1332880085 /nfs/dbraw/zinc/88/00/85/1332880085.db2.gz UIZQBDBMYZLUDT-XOKHGSTOSA-N 2 1 348.516 2.334 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001321065490 1333009262 /nfs/dbraw/zinc/00/92/62/1333009262.db2.gz AOAMHJZKQVNQJV-PPPANMTLSA-N 2 1 346.500 2.112 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321877627 1333172511 /nfs/dbraw/zinc/17/25/11/1333172511.db2.gz AFXBWKFLTDRHNX-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001322221780 1333231166 /nfs/dbraw/zinc/23/11/66/1333231166.db2.gz BLXPTQPTVSYBOH-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001322221780 1333231167 /nfs/dbraw/zinc/23/11/67/1333231167.db2.gz BLXPTQPTVSYBOH-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001322221780 1333231168 /nfs/dbraw/zinc/23/11/68/1333231168.db2.gz BLXPTQPTVSYBOH-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001322221780 1333231171 /nfs/dbraw/zinc/23/11/71/1333231171.db2.gz BLXPTQPTVSYBOH-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001323637100 1333503968 /nfs/dbraw/zinc/50/39/68/1333503968.db2.gz JCKWVPAYVRNWDH-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323637100 1333503969 /nfs/dbraw/zinc/50/39/69/1333503969.db2.gz JCKWVPAYVRNWDH-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323637100 1333503970 /nfs/dbraw/zinc/50/39/70/1333503970.db2.gz JCKWVPAYVRNWDH-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324629839 1333726905 /nfs/dbraw/zinc/72/69/05/1333726905.db2.gz TUGCRKZDEBUILC-IBGZPJMESA-N 2 1 342.443 2.040 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001327079527 1334216754 /nfs/dbraw/zinc/21/67/54/1334216754.db2.gz IKQRZKZNOJGSSX-RBUKOAKNSA-N 2 1 345.487 2.073 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001327148212 1334234758 /nfs/dbraw/zinc/23/47/58/1334234758.db2.gz RAUIFHKYFYATLT-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001328467870 1334463132 /nfs/dbraw/zinc/46/31/32/1334463132.db2.gz HNXDNBMHUIPRMS-LJQANCHMSA-N 2 1 339.483 2.067 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001328467870 1334463135 /nfs/dbraw/zinc/46/31/35/1334463135.db2.gz HNXDNBMHUIPRMS-LJQANCHMSA-N 2 1 339.483 2.067 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001329845370 1334725631 /nfs/dbraw/zinc/72/56/31/1334725631.db2.gz DRQINBVDSGGLKX-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221897 1335773012 /nfs/dbraw/zinc/77/30/12/1335773012.db2.gz PKTXNFYVVQOLFS-UXHICEINSA-N 2 1 341.499 2.201 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001566918824 1342652730 /nfs/dbraw/zinc/65/27/30/1342652730.db2.gz YXTUBEFDTRBRDP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001566918824 1342652734 /nfs/dbraw/zinc/65/27/34/1342652734.db2.gz YXTUBEFDTRBRDP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001566918824 1342652737 /nfs/dbraw/zinc/65/27/37/1342652737.db2.gz YXTUBEFDTRBRDP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001566918824 1342652740 /nfs/dbraw/zinc/65/27/40/1342652740.db2.gz YXTUBEFDTRBRDP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650612 1354257611 /nfs/dbraw/zinc/25/76/11/1354257611.db2.gz IEHYXSJLCHNEKT-HOJAQTOUSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001661349201 1354630190 /nfs/dbraw/zinc/63/01/90/1354630190.db2.gz NOMFZQJEZMONLT-OTWHNJEPSA-N 2 1 327.472 2.098 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662675437 1354823977 /nfs/dbraw/zinc/82/39/77/1354823977.db2.gz LXDFMISBOMTBOZ-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001662809671 1354851672 /nfs/dbraw/zinc/85/16/72/1354851672.db2.gz VGFCXCLVFPXSRW-HXUWFJFHSA-N 2 1 341.499 2.189 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932262 /nfs/dbraw/zinc/93/22/62/1354932262.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001664894419 1355253983 /nfs/dbraw/zinc/25/39/83/1355253983.db2.gz VBRWMQJNAQURCD-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001664894419 1355253988 /nfs/dbraw/zinc/25/39/88/1355253988.db2.gz VBRWMQJNAQURCD-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001664894419 1355253995 /nfs/dbraw/zinc/25/39/95/1355253995.db2.gz VBRWMQJNAQURCD-HXUWFJFHSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC/C=C\CCC)C1 ZINC001665642628 1355345768 /nfs/dbraw/zinc/34/57/68/1355345768.db2.gz XLKWDKBEXRNCKY-YMHTTXFNSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001665642628 1355345773 /nfs/dbraw/zinc/34/57/73/1355345773.db2.gz XLKWDKBEXRNCKY-YMHTTXFNSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001665642628 1355345778 /nfs/dbraw/zinc/34/57/78/1355345778.db2.gz XLKWDKBEXRNCKY-YMHTTXFNSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001665642628 1355345785 /nfs/dbraw/zinc/34/57/85/1355345785.db2.gz XLKWDKBEXRNCKY-YMHTTXFNSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001667257345 1355690308 /nfs/dbraw/zinc/69/03/08/1355690308.db2.gz GTHRLYVXVAUCCI-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668173189 1355890790 /nfs/dbraw/zinc/89/07/90/1355890790.db2.gz CRRNZUHLLCETQH-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001671464860 1356344185 /nfs/dbraw/zinc/34/41/85/1356344185.db2.gz AULZFXIBFNWANG-MJGOQNOKSA-N 2 1 331.504 2.362 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001672356564 1356508834 /nfs/dbraw/zinc/50/88/34/1356508834.db2.gz XLZVGPQZLDSCGE-IYWMVGAKSA-N 2 1 345.531 2.489 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001672796890 1356586381 /nfs/dbraw/zinc/58/63/81/1356586381.db2.gz YCQSXQZVBJYAPC-OALUTQOASA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001673396012 1356685052 /nfs/dbraw/zinc/68/50/52/1356685052.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 2 1 339.524 2.138 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001673396012 1356685055 /nfs/dbraw/zinc/68/50/55/1356685055.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 2 1 339.524 2.138 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001673396012 1356685057 /nfs/dbraw/zinc/68/50/57/1356685057.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 2 1 339.524 2.138 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001673645352 1356724946 /nfs/dbraw/zinc/72/49/46/1356724946.db2.gz JGQAYCGZSBBMQE-IEBWSBKVSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001691931758 1404964274 /nfs/dbraw/zinc/96/42/74/1404964274.db2.gz HFXRXMCPWWTZRD-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748142 779207363 /nfs/dbraw/zinc/20/73/63/779207363.db2.gz VFIBGBRMCSWRLL-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971846 779594901 /nfs/dbraw/zinc/59/49/01/779594901.db2.gz DPEVNCKCHVORNV-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971846 779594909 /nfs/dbraw/zinc/59/49/09/779594909.db2.gz DPEVNCKCHVORNV-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971846 779594916 /nfs/dbraw/zinc/59/49/16/779594916.db2.gz DPEVNCKCHVORNV-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000793369407 810291237 /nfs/dbraw/zinc/29/12/37/810291237.db2.gz FHSOJPNHQSKLEA-UHFFFAOYSA-N 2 1 337.423 2.424 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001566012487 1125500301 /nfs/dbraw/zinc/50/03/01/1125500301.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 2 1 337.508 2.031 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001566012487 1125500306 /nfs/dbraw/zinc/50/03/06/1125500306.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 2 1 337.508 2.031 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001566012487 1125500314 /nfs/dbraw/zinc/50/03/14/1125500314.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 2 1 337.508 2.031 10 30 EEEEMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310186 1090788172 /nfs/dbraw/zinc/78/81/72/1090788172.db2.gz JELNBVGICPDOEA-GJZGRUSLSA-N 2 1 348.516 2.479 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001438806372 1091416218 /nfs/dbraw/zinc/41/62/18/1091416218.db2.gz DMDLBENFGNLWQZ-ATZDWAIDSA-N 2 1 342.487 2.129 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001449004030 1094002162 /nfs/dbraw/zinc/00/21/62/1094002162.db2.gz DDVMEUCXHSKJQO-UYAOXDASSA-N 2 1 340.471 2.123 10 30 EEEEMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174205 1096440325 /nfs/dbraw/zinc/44/03/25/1096440325.db2.gz KLHGNKCLATULQX-ZWKOTPCHSA-N 2 1 342.487 2.130 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001479742119 1098863023 /nfs/dbraw/zinc/86/30/23/1098863023.db2.gz RRGSMWDDLKCWHB-UHFFFAOYSA-N 2 1 348.516 2.035 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480086749 1099643342 /nfs/dbraw/zinc/64/33/42/1099643342.db2.gz XCLNATMAPWJLHY-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001480382521 1100175256 /nfs/dbraw/zinc/17/52/56/1100175256.db2.gz JTLVJQIUJAQOLF-SJLPKXTDSA-N 2 1 342.487 2.227 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903326 1103559713 /nfs/dbraw/zinc/55/97/13/1103559713.db2.gz DMGMOISAAFEWPN-KGLIPLIRSA-N 2 1 334.439 2.022 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494147458 1103603196 /nfs/dbraw/zinc/60/31/96/1103603196.db2.gz MJWNPCIOKMUEAA-GOSISDBHSA-N 2 1 341.499 2.208 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001494980880 1104622923 /nfs/dbraw/zinc/62/29/23/1104622923.db2.gz IMDWNBGKHYNBAG-KBRIMQKVSA-N 2 1 346.450 2.022 10 30 EEEEMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004152 1104646183 /nfs/dbraw/zinc/64/61/83/1104646183.db2.gz UDHACCGOAPONBA-INIZCTEOSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480773075 1107088724 /nfs/dbraw/zinc/08/87/24/1107088724.db2.gz UNHJNYCDKKTYSJ-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480801460 1107140592 /nfs/dbraw/zinc/14/05/92/1107140592.db2.gz RSYRMOKPCNECTF-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC001498307282 1107261043 /nfs/dbraw/zinc/26/10/43/1107261043.db2.gz XLDMZOWGRYRDAH-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001498307282 1107261050 /nfs/dbraw/zinc/26/10/50/1107261050.db2.gz XLDMZOWGRYRDAH-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CF)cc1 ZINC001498307282 1107261060 /nfs/dbraw/zinc/26/10/60/1107261060.db2.gz XLDMZOWGRYRDAH-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CF)cc1 ZINC001498307282 1107261066 /nfs/dbraw/zinc/26/10/66/1107261066.db2.gz XLDMZOWGRYRDAH-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001479439933 1110696223 /nfs/dbraw/zinc/69/62/23/1110696223.db2.gz XDMFSLGNVHCLEG-ZCNNSNEGSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](C(C)C)CC1 ZINC001500048497 1112592121 /nfs/dbraw/zinc/59/21/21/1112592121.db2.gz NESKBJMGSQSELV-GOSISDBHSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052127 1112594477 /nfs/dbraw/zinc/59/44/77/1112594477.db2.gz SJRDTGORCSINMT-IEBWSBKVSA-N 2 1 349.494 2.289 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500546956 1112937744 /nfs/dbraw/zinc/93/77/44/1112937744.db2.gz KZFBJSZFRJXCML-MRXNPFEDSA-N 2 1 325.884 2.053 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500546956 1112937746 /nfs/dbraw/zinc/93/77/46/1112937746.db2.gz KZFBJSZFRJXCML-MRXNPFEDSA-N 2 1 325.884 2.053 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001501400199 1113343798 /nfs/dbraw/zinc/34/37/98/1113343798.db2.gz QOTRVSCTTFKGBE-SJORKVTESA-N 2 1 346.500 2.137 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445371 1115273481 /nfs/dbraw/zinc/27/34/81/1115273481.db2.gz BEFQGXOYFKSSTO-BEFAXECRSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001568438248 1124507201 /nfs/dbraw/zinc/50/72/01/1124507201.db2.gz ZSNOFQGMIRPWNU-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001568438248 1124507206 /nfs/dbraw/zinc/50/72/06/1124507206.db2.gz ZSNOFQGMIRPWNU-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001568438248 1124507220 /nfs/dbraw/zinc/50/72/20/1124507220.db2.gz ZSNOFQGMIRPWNU-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001568438248 1124507230 /nfs/dbraw/zinc/50/72/30/1124507230.db2.gz ZSNOFQGMIRPWNU-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729202 468638139 /nfs/dbraw/zinc/63/81/39/468638139.db2.gz SMWCIYACNIWTKK-MSOLQXFVSA-N 2 1 337.508 2.015 10 30 EEEEMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338347 469216808 /nfs/dbraw/zinc/21/68/08/469216808.db2.gz AMGUJNQDULFQOO-PXNSSMCTSA-N 2 1 326.488 2.325 10 30 EEEEMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338347 469216810 /nfs/dbraw/zinc/21/68/10/469216810.db2.gz AMGUJNQDULFQOO-PXNSSMCTSA-N 2 1 326.488 2.325 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684835 472205003 /nfs/dbraw/zinc/20/50/03/472205003.db2.gz JTVQFSKURVDIPT-RDTXWAMCSA-N 2 1 333.501 2.309 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684835 472205010 /nfs/dbraw/zinc/20/50/10/472205010.db2.gz JTVQFSKURVDIPT-RDTXWAMCSA-N 2 1 333.501 2.309 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744991 472231499 /nfs/dbraw/zinc/23/14/99/472231499.db2.gz CJECCBZAZSCHTD-ICSRJNTNSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001485557420 1191835252 /nfs/dbraw/zinc/83/52/52/1191835252.db2.gz ALVWVHOTVRRTNK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557420 1191835253 /nfs/dbraw/zinc/83/52/53/1191835253.db2.gz ALVWVHOTVRRTNK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557420 1191835254 /nfs/dbraw/zinc/83/52/54/1191835254.db2.gz ALVWVHOTVRRTNK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001691223146 1177727918 /nfs/dbraw/zinc/72/79/18/1177727918.db2.gz WKSZRIYPLOTOBC-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001691223146 1177727921 /nfs/dbraw/zinc/72/79/21/1177727921.db2.gz WKSZRIYPLOTOBC-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891843 1177729180 /nfs/dbraw/zinc/72/91/80/1177729180.db2.gz RQCULUFKPZULOY-QZTJIDSGSA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001691339704 1177934710 /nfs/dbraw/zinc/93/47/10/1177934710.db2.gz KYWMUWBNBHYNON-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123963 1178291164 /nfs/dbraw/zinc/29/11/64/1178291164.db2.gz ZGXDIXLMDDJNEA-YJBOKZPZSA-N 2 1 347.890 2.270 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267190173 1178461085 /nfs/dbraw/zinc/46/10/85/1178461085.db2.gz DMMJGUYQEXTACL-HKUYNNGSSA-N 2 1 333.520 2.347 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)CC[NH+](C)C ZINC001267249207 1178612264 /nfs/dbraw/zinc/61/22/64/1178612264.db2.gz QJIMMNMDQCGELP-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)CC[NH+](C)C ZINC001267249207 1178612267 /nfs/dbraw/zinc/61/22/67/1178612267.db2.gz QJIMMNMDQCGELP-UHFFFAOYSA-N 2 1 335.879 2.081 10 30 EEEEMP CC[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001480936693 1178921440 /nfs/dbraw/zinc/92/14/40/1178921440.db2.gz MLNXIWQNHBRZMU-KRWDZBQOSA-N 2 1 335.879 2.080 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001267925786 1180773398 /nfs/dbraw/zinc/77/33/98/1180773398.db2.gz NECJWCPIBYCIKC-VJANTYMQSA-N 2 1 349.519 2.223 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374738 1181155255 /nfs/dbraw/zinc/15/52/55/1181155255.db2.gz XRKAIKBPFBJMCV-MOPGFXCFSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481941601 1182999911 /nfs/dbraw/zinc/99/99/11/1182999911.db2.gz VBFPICLTNOXGJG-RTBURBONSA-N 2 1 337.483 2.097 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268542093 1183213201 /nfs/dbraw/zinc/21/32/01/1183213201.db2.gz OSWJHPCHILGYID-LIMHQNJXSA-N 2 1 346.500 2.255 10 30 EEEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC[C@H]1C ZINC001269677090 1184501920 /nfs/dbraw/zinc/50/19/20/1184501920.db2.gz NIMPCTQMLHWTBW-WIYYLYMNSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC[C@H]1C ZINC001269677090 1184501926 /nfs/dbraw/zinc/50/19/26/1184501926.db2.gz NIMPCTQMLHWTBW-WIYYLYMNSA-N 2 1 341.499 2.406 10 30 EEEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699598 1184529875 /nfs/dbraw/zinc/52/98/75/1184529875.db2.gz FXYPTECDNNMGDR-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699598 1184529881 /nfs/dbraw/zinc/52/98/81/1184529881.db2.gz FXYPTECDNNMGDR-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001483136934 1188691950 /nfs/dbraw/zinc/69/19/50/1188691950.db2.gz HKEPFIZFPZLCRH-DYVFJYSZSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001483136934 1188691953 /nfs/dbraw/zinc/69/19/53/1188691953.db2.gz HKEPFIZFPZLCRH-DYVFJYSZSA-N 2 1 333.501 2.057 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001483443395 1190482284 /nfs/dbraw/zinc/48/22/84/1190482284.db2.gz QADLBUYYBDTYIY-SJORKVTESA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001483472369 1190495366 /nfs/dbraw/zinc/49/53/66/1190495366.db2.gz SEPGJTBMLVFFML-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001483472369 1190495367 /nfs/dbraw/zinc/49/53/67/1190495367.db2.gz SEPGJTBMLVFFML-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001272535568 1190870635 /nfs/dbraw/zinc/87/06/35/1190870635.db2.gz XSTBKLQSIZYQSW-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001483814274 1191059070 /nfs/dbraw/zinc/05/90/70/1191059070.db2.gz SOMHEXVTAJYQQX-UHFFFAOYSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001483814274 1191059072 /nfs/dbraw/zinc/05/90/72/1191059072.db2.gz SOMHEXVTAJYQQX-UHFFFAOYSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001484556401 1191417809 /nfs/dbraw/zinc/41/78/09/1191417809.db2.gz VHXQMBMLLSHLDZ-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001484556401 1191417812 /nfs/dbraw/zinc/41/78/12/1191417812.db2.gz VHXQMBMLLSHLDZ-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982818 1191600671 /nfs/dbraw/zinc/60/06/71/1191600671.db2.gz NPBCCDWMEVLMOK-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982818 1191600673 /nfs/dbraw/zinc/60/06/73/1191600673.db2.gz NPBCCDWMEVLMOK-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982818 1191600674 /nfs/dbraw/zinc/60/06/74/1191600674.db2.gz NPBCCDWMEVLMOK-AZUAARDMSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001485005007 1191612039 /nfs/dbraw/zinc/61/20/39/1191612039.db2.gz UZIXWLLNMWPRDU-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001485103349 1191652833 /nfs/dbraw/zinc/65/28/33/1191652833.db2.gz OVUXPMIVEUVDGD-HFPIOELMSA-N 2 1 341.499 2.392 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001486180240 1193717578 /nfs/dbraw/zinc/71/75/78/1193717578.db2.gz LECSDWKEZUOBID-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001486180240 1193717579 /nfs/dbraw/zinc/71/75/79/1193717579.db2.gz LECSDWKEZUOBID-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000872239539 1198106275 /nfs/dbraw/zinc/10/62/75/1198106275.db2.gz RDPWFWICSOANLX-VXKWHMMOSA-N 2 1 347.462 2.252 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000872239539 1198106279 /nfs/dbraw/zinc/10/62/79/1198106279.db2.gz RDPWFWICSOANLX-VXKWHMMOSA-N 2 1 347.462 2.252 10 30 EEEEMP C(#CC[N@H+]1CC[C@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565849 1201145166 /nfs/dbraw/zinc/14/51/66/1201145166.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879565849 1201145174 /nfs/dbraw/zinc/14/51/74/1201145174.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879565849 1201145177 /nfs/dbraw/zinc/14/51/77/1201145177.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 2 1 336.570 2.360 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274845958 1205184901 /nfs/dbraw/zinc/18/49/01/1205184901.db2.gz CPDKZNNTUOZGJG-UXHICEINSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274845958 1205184902 /nfs/dbraw/zinc/18/49/02/1205184902.db2.gz CPDKZNNTUOZGJG-UXHICEINSA-N 2 1 341.499 2.312 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274918886 1205209603 /nfs/dbraw/zinc/20/96/03/1205209603.db2.gz FLJWRYIFISYEQG-MRXNPFEDSA-N 2 1 347.478 2.249 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275970983 1205609273 /nfs/dbraw/zinc/60/92/73/1205609273.db2.gz VDFLYILAUJRRIT-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275970983 1205609274 /nfs/dbraw/zinc/60/92/74/1205609274.db2.gz VDFLYILAUJRRIT-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275970983 1205609275 /nfs/dbraw/zinc/60/92/75/1205609275.db2.gz VDFLYILAUJRRIT-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275970983 1205609276 /nfs/dbraw/zinc/60/92/76/1205609276.db2.gz VDFLYILAUJRRIT-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000900191475 1234078561 /nfs/dbraw/zinc/07/85/61/1234078561.db2.gz AMGSPDVCCUSADH-UHFFFAOYSA-N 2 1 344.503 2.271 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000900648321 1234607927 /nfs/dbraw/zinc/60/79/27/1234607927.db2.gz QKDSYFZQKDOBHH-IBGZPJMESA-N 2 1 344.503 2.402 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001489338011 1290521087 /nfs/dbraw/zinc/52/10/87/1290521087.db2.gz WAPDCPNCLKUVKQ-AWEZNQCLSA-N 2 1 348.516 2.035 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCC)CC2 ZINC001490594207 1291496116 /nfs/dbraw/zinc/49/61/16/1291496116.db2.gz CYXSPGVGFSKZOL-ROUUACIJSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCC)CC2 ZINC001490594207 1291496121 /nfs/dbraw/zinc/49/61/21/1291496121.db2.gz CYXSPGVGFSKZOL-ROUUACIJSA-N 2 1 331.504 2.245 10 30 EEEEMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579786 /nfs/dbraw/zinc/57/97/86/1293579786.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579791 /nfs/dbraw/zinc/57/97/91/1293579791.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579798 /nfs/dbraw/zinc/57/97/98/1293579798.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 2 1 346.475 2.304 10 30 EEEEMP C#CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185136 1306211594 /nfs/dbraw/zinc/21/15/94/1306211594.db2.gz YRAFSXXPKOTQOE-IBGZPJMESA-N 2 1 337.483 2.145 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001278667640 1317607771 /nfs/dbraw/zinc/60/77/71/1317607771.db2.gz HFOWHVJVZRCVPH-APWZRJJASA-N 2 1 330.476 2.240 10 30 EEEEMP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001263184693 1322441596 /nfs/dbraw/zinc/44/15/96/1322441596.db2.gz BEDNGJIDYNNFQX-UHFFFAOYSA-N 2 1 339.361 2.463 10 30 EEEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594115 1322744850 /nfs/dbraw/zinc/74/48/50/1322744850.db2.gz FFKYTFVYUTZCDU-KBPBESRZSA-N 2 1 335.414 2.131 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccc1C#N)C1CC1 ZINC001265156444 1322954450 /nfs/dbraw/zinc/95/44/50/1322954450.db2.gz ZNMKZMVINQBVGO-LJQANCHMSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001265156444 1322954455 /nfs/dbraw/zinc/95/44/55/1322954455.db2.gz ZNMKZMVINQBVGO-LJQANCHMSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001265156444 1322954458 /nfs/dbraw/zinc/95/44/58/1322954458.db2.gz ZNMKZMVINQBVGO-LJQANCHMSA-N 2 1 340.471 2.123 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191888 1323755326 /nfs/dbraw/zinc/75/53/26/1323755326.db2.gz MBTNVMPRLQGWGA-MRXNPFEDSA-N 2 1 333.451 2.002 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001280340151 1324162029 /nfs/dbraw/zinc/16/20/29/1324162029.db2.gz IMVGWERJRKFZLI-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001280340151 1324162033 /nfs/dbraw/zinc/16/20/33/1324162033.db2.gz IMVGWERJRKFZLI-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997098 /nfs/dbraw/zinc/99/70/98/1324997098.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997100 /nfs/dbraw/zinc/99/71/00/1324997100.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997104 /nfs/dbraw/zinc/99/71/04/1324997104.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997105 /nfs/dbraw/zinc/99/71/05/1324997105.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997107 /nfs/dbraw/zinc/99/71/07/1324997107.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001284291687 1326491079 /nfs/dbraw/zinc/49/10/79/1326491079.db2.gz KGFFEICKELFRTR-DLBZAZTESA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001284291687 1326491080 /nfs/dbraw/zinc/49/10/80/1326491080.db2.gz KGFFEICKELFRTR-DLBZAZTESA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001492154904 1331018576 /nfs/dbraw/zinc/01/85/76/1331018576.db2.gz XGVGMBPZVJXGSR-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001492154904 1331018582 /nfs/dbraw/zinc/01/85/82/1331018582.db2.gz XGVGMBPZVJXGSR-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492159980 1331023929 /nfs/dbraw/zinc/02/39/29/1331023929.db2.gz MXOPYACBBQRCDE-MRXNPFEDSA-N 2 1 339.443 2.428 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC001492388388 1331205550 /nfs/dbraw/zinc/20/55/50/1331205550.db2.gz CHPMYUHZTRJDBC-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC001492388388 1331205552 /nfs/dbraw/zinc/20/55/52/1331205552.db2.gz CHPMYUHZTRJDBC-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316772442 1331884926 /nfs/dbraw/zinc/88/49/26/1331884926.db2.gz PQZWYQHVKKNVKG-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317065370 1332066792 /nfs/dbraw/zinc/06/67/92/1332066792.db2.gz ORYVUUDNKXFGEA-WBVHZDCISA-N 2 1 339.443 2.426 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001317511727 1332274856 /nfs/dbraw/zinc/27/48/56/1332274856.db2.gz CFLXWGNHQZDCTA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317630700 1332337084 /nfs/dbraw/zinc/33/70/84/1332337084.db2.gz KSIJIENQQUREDF-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C2CCCCCC2)CC1 ZINC001323721379 1333524884 /nfs/dbraw/zinc/52/48/84/1333524884.db2.gz FTMGORQGBWFWIM-UHFFFAOYSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426858 1333681041 /nfs/dbraw/zinc/68/10/41/1333681041.db2.gz OEIHQGCUNNAQDW-PKOBYXMFSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974982 1333800093 /nfs/dbraw/zinc/80/00/93/1333800093.db2.gz DPOMTEPVMIFYFH-FQEVSTJZSA-N 2 1 327.472 2.213 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470223 1334099922 /nfs/dbraw/zinc/09/99/22/1334099922.db2.gz ZAUUISKNUNEAED-QFBILLFUSA-N 2 1 327.472 2.459 10 30 EEEEMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001326976674 1334195443 /nfs/dbraw/zinc/19/54/43/1334195443.db2.gz BKGVSBACTRXJJU-KZNAEPCWSA-N 2 1 339.524 2.114 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592008 1334680379 /nfs/dbraw/zinc/68/03/79/1334680379.db2.gz JZUSQFVGBYFVGT-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592008 1334680383 /nfs/dbraw/zinc/68/03/83/1334680383.db2.gz JZUSQFVGBYFVGT-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480448 1357155192 /nfs/dbraw/zinc/15/51/92/1357155192.db2.gz BNPVHVIWPZCEQE-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001676681476 1357180352 /nfs/dbraw/zinc/18/03/52/1357180352.db2.gz ZELWFSVJEGQXNQ-WMLDXEAASA-N 2 1 325.416 2.036 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001676837307 1357217054 /nfs/dbraw/zinc/21/70/54/1357217054.db2.gz GQFNLJRTPPWCJE-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CCC[NH+]1CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001677586536 1357363036 /nfs/dbraw/zinc/36/30/36/1357363036.db2.gz IHRAKVLYIJOBPE-UHFFFAOYSA-N 2 1 331.504 2.413 10 30 EEEEMP C#CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001677586536 1357363039 /nfs/dbraw/zinc/36/30/39/1357363039.db2.gz IHRAKVLYIJOBPE-UHFFFAOYSA-N 2 1 331.504 2.413 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001677586536 1357363044 /nfs/dbraw/zinc/36/30/44/1357363044.db2.gz IHRAKVLYIJOBPE-UHFFFAOYSA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC001678355954 1357505592 /nfs/dbraw/zinc/50/55/92/1357505592.db2.gz XITBCJLZRILMSN-IBGZPJMESA-N 2 1 348.535 2.430 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC001678355954 1357505596 /nfs/dbraw/zinc/50/55/96/1357505596.db2.gz XITBCJLZRILMSN-IBGZPJMESA-N 2 1 348.535 2.430 10 30 EEEEMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001656252041 1354219022 /nfs/dbraw/zinc/21/90/22/1354219022.db2.gz QJIXUFZJEWIIQA-SLFFLAALSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001656252041 1354219027 /nfs/dbraw/zinc/21/90/27/1354219027.db2.gz QJIXUFZJEWIIQA-SLFFLAALSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001656252041 1354219030 /nfs/dbraw/zinc/21/90/30/1354219030.db2.gz QJIXUFZJEWIIQA-SLFFLAALSA-N 2 1 339.483 2.078 10 30 EEEEMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001656252041 1354219033 /nfs/dbraw/zinc/21/90/33/1354219033.db2.gz QJIXUFZJEWIIQA-SLFFLAALSA-N 2 1 339.483 2.078 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650614 1354257366 /nfs/dbraw/zinc/25/73/66/1354257366.db2.gz IEHYXSJLCHNEKT-RLLQIKCJSA-N 2 1 345.531 2.491 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142961 1354596956 /nfs/dbraw/zinc/59/69/56/1354596956.db2.gz PNWWEDMDFXNAIT-PMACEKPBSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001661220949 1354610881 /nfs/dbraw/zinc/61/08/81/1354610881.db2.gz LSALYLOOAQLHGO-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001661220949 1354610886 /nfs/dbraw/zinc/61/08/86/1354610886.db2.gz LSALYLOOAQLHGO-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001661220949 1354610891 /nfs/dbraw/zinc/61/08/91/1354610891.db2.gz LSALYLOOAQLHGO-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001664898189 1355253911 /nfs/dbraw/zinc/25/39/11/1355253911.db2.gz BYUUBDUISFZUIB-UHFFFAOYSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001664898189 1355253920 /nfs/dbraw/zinc/25/39/20/1355253920.db2.gz BYUUBDUISFZUIB-UHFFFAOYSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001664898189 1355253922 /nfs/dbraw/zinc/25/39/22/1355253922.db2.gz BYUUBDUISFZUIB-UHFFFAOYSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001664898189 1355253926 /nfs/dbraw/zinc/25/39/26/1355253926.db2.gz BYUUBDUISFZUIB-UHFFFAOYSA-N 2 1 329.488 2.475 10 30 EEEEMP C=CC[NH2+]C[C@@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@@H]1C ZINC001666054615 1355433704 /nfs/dbraw/zinc/43/37/04/1355433704.db2.gz CINSBGSIKFVMKU-KSSFIOAISA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)sc1C ZINC001670130905 1356282028 /nfs/dbraw/zinc/28/20/28/1356282028.db2.gz QCFPUMWCZHZEIA-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)sc1C ZINC001670130905 1356282035 /nfs/dbraw/zinc/28/20/35/1356282035.db2.gz QCFPUMWCZHZEIA-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001672916228 1356614261 /nfs/dbraw/zinc/61/42/61/1356614261.db2.gz OJFYSDBUQLFHDW-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001673230500 1356656061 /nfs/dbraw/zinc/65/60/61/1356656061.db2.gz TVXUOZJLLNYVNN-UHFFFAOYSA-N 2 1 341.499 2.399 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001673396011 1356684966 /nfs/dbraw/zinc/68/49/66/1356684966.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 2 1 339.524 2.138 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001673396011 1356684969 /nfs/dbraw/zinc/68/49/69/1356684969.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 2 1 339.524 2.138 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001673396011 1356684971 /nfs/dbraw/zinc/68/49/71/1356684971.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 2 1 339.524 2.138 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001674142529 1356797686 /nfs/dbraw/zinc/79/76/86/1356797686.db2.gz UEJGWKXHIDZRQE-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001674599765 1356862370 /nfs/dbraw/zinc/86/23/70/1356862370.db2.gz PKTFLOLNZNHLFA-NKELODKYSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001675666492 1357031860 /nfs/dbraw/zinc/03/18/60/1357031860.db2.gz ZVVIEKYBVIRMFW-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001675666492 1357031864 /nfs/dbraw/zinc/03/18/64/1357031864.db2.gz ZVVIEKYBVIRMFW-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001675666492 1357031868 /nfs/dbraw/zinc/03/18/68/1357031868.db2.gz ZVVIEKYBVIRMFW-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001675707642 1357041137 /nfs/dbraw/zinc/04/11/37/1357041137.db2.gz LSPIUQYZJHWNNM-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001698933402 1405172087 /nfs/dbraw/zinc/17/20/87/1405172087.db2.gz SKJYDVZNCQTLEC-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001699554175 1405392122 /nfs/dbraw/zinc/39/21/22/1405392122.db2.gz MLEGFFFDSXCCIB-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423208 1090918877 /nfs/dbraw/zinc/91/88/77/1090918877.db2.gz XVZSMMKLZJNZKP-ZQIUZPCESA-N 2 1 327.900 2.344 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445386123 1091129378 /nfs/dbraw/zinc/12/93/78/1091129378.db2.gz PDTOXLBTXSGUGS-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688799 1093751092 /nfs/dbraw/zinc/75/10/92/1093751092.db2.gz ZYDDXMQPCZDISM-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998282 /nfs/dbraw/zinc/99/82/82/1093998282.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998285 /nfs/dbraw/zinc/99/82/85/1093998285.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998290 /nfs/dbraw/zinc/99/82/90/1093998290.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001479495625 1098563860 /nfs/dbraw/zinc/56/38/60/1098563860.db2.gz SDKZPDZRLQQFBO-UONOGXRCSA-N 2 1 346.313 2.110 10 30 EEEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001479632906 1098661230 /nfs/dbraw/zinc/66/12/30/1098661230.db2.gz PSUOXEIZZVDGLG-KSZLIROESA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001479632906 1098661233 /nfs/dbraw/zinc/66/12/33/1098661233.db2.gz PSUOXEIZZVDGLG-KSZLIROESA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001479632906 1098661242 /nfs/dbraw/zinc/66/12/42/1098661242.db2.gz PSUOXEIZZVDGLG-KSZLIROESA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001479632906 1098661250 /nfs/dbraw/zinc/66/12/50/1098661250.db2.gz PSUOXEIZZVDGLG-KSZLIROESA-N 2 1 339.524 2.257 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001480481222 1100290300 /nfs/dbraw/zinc/29/03/00/1100290300.db2.gz WPGJYYMSKRGHCZ-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001480481222 1100290308 /nfs/dbraw/zinc/29/03/08/1100290308.db2.gz WPGJYYMSKRGHCZ-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497547993 1102648456 /nfs/dbraw/zinc/64/84/56/1102648456.db2.gz HPSHDJKQYNRRTM-KVLZDYKBSA-N 2 1 345.874 2.048 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001494980884 1104623091 /nfs/dbraw/zinc/62/30/91/1104623091.db2.gz IMDWNBGKHYNBAG-XOKHGSTOSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001480706534 1106924656 /nfs/dbraw/zinc/92/46/56/1106924656.db2.gz FMLSLKBVOXVXJX-IAGOWNOFSA-N 2 1 339.443 2.474 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001498304936 1107255440 /nfs/dbraw/zinc/25/54/40/1107255440.db2.gz HPMAZFBDOKWWKO-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001498304936 1107255445 /nfs/dbraw/zinc/25/54/45/1107255445.db2.gz HPMAZFBDOKWWKO-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(Cl)cc1 ZINC001498304936 1107255448 /nfs/dbraw/zinc/25/54/48/1107255448.db2.gz HPMAZFBDOKWWKO-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(Cl)cc1 ZINC001498304936 1107255455 /nfs/dbraw/zinc/25/54/55/1107255455.db2.gz HPMAZFBDOKWWKO-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC001493333109 1107944812 /nfs/dbraw/zinc/94/48/12/1107944812.db2.gz XYDDPSMSSAMQIL-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC001493333109 1107944816 /nfs/dbraw/zinc/94/48/16/1107944816.db2.gz XYDDPSMSSAMQIL-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001498874161 1108257011 /nfs/dbraw/zinc/25/70/11/1108257011.db2.gz JTTQPRGQIOUTTG-GOSISDBHSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978601 1108406923 /nfs/dbraw/zinc/40/69/23/1108406923.db2.gz HEXITTJASXTGNC-PKOBYXMFSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498978601 1108406927 /nfs/dbraw/zinc/40/69/27/1108406927.db2.gz HEXITTJASXTGNC-PKOBYXMFSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498978601 1108406934 /nfs/dbraw/zinc/40/69/34/1108406934.db2.gz HEXITTJASXTGNC-PKOBYXMFSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001499480256 1112312576 /nfs/dbraw/zinc/31/25/76/1112312576.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480256 1112312581 /nfs/dbraw/zinc/31/25/81/1112312581.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001499480256 1112312585 /nfs/dbraw/zinc/31/25/85/1112312585.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001502966455 1113864114 /nfs/dbraw/zinc/86/41/14/1113864114.db2.gz DGUBLQZQHIMJDO-ZIAGYGMSSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001505537790 1114039448 /nfs/dbraw/zinc/03/94/48/1114039448.db2.gz MBUQWOZQWSXKRK-UHFFFAOYSA-N 2 1 346.450 2.022 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001506544296 1114687786 /nfs/dbraw/zinc/68/77/86/1114687786.db2.gz TXDDZCDVGFUKGN-PBHICJAKSA-N 2 1 348.516 2.479 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001569153872 1125132237 /nfs/dbraw/zinc/13/22/37/1125132237.db2.gz XVEIVDYYFOAJQQ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001569153872 1125132239 /nfs/dbraw/zinc/13/22/39/1125132239.db2.gz XVEIVDYYFOAJQQ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC001569153872 1125132241 /nfs/dbraw/zinc/13/22/41/1125132241.db2.gz XVEIVDYYFOAJQQ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC001569153872 1125132244 /nfs/dbraw/zinc/13/22/44/1125132244.db2.gz XVEIVDYYFOAJQQ-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[NH+]=C(NCc1noc(C)n1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000088959811 462649497 /nfs/dbraw/zinc/64/94/97/462649497.db2.gz PCSKDFGSYZIIMN-HNNXBMFYSA-N 2 1 348.495 2.230 10 30 EEEEMP C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(N2CC[NH+](C)CC2)nn1 ZINC000072423886 463511944 /nfs/dbraw/zinc/51/19/44/463511944.db2.gz FKBRSYMLTBPHKE-QGZVFWFLSA-N 2 1 345.491 2.038 10 30 EEEEMP CN(CCN1CCN(Cc2ccccc2)CC1)Cc1ccncc1C#N ZINC000592122348 468630456 /nfs/dbraw/zinc/63/04/56/468630456.db2.gz KWSXDXZKZMEZNP-UHFFFAOYSA-N 2 1 349.482 2.203 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722354 468634896 /nfs/dbraw/zinc/63/48/96/468634896.db2.gz RJKGVHFSUDVLAQ-VQIMIIECSA-N 2 1 343.471 2.052 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722354 468634901 /nfs/dbraw/zinc/63/49/01/468634901.db2.gz RJKGVHFSUDVLAQ-VQIMIIECSA-N 2 1 343.471 2.052 10 30 EEEEMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323265 468938566 /nfs/dbraw/zinc/93/85/66/468938566.db2.gz SAAHAUORJUEMTD-SCTDSRPQSA-N 2 1 329.444 2.428 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCC[C@H]21 ZINC000586789966 469066782 /nfs/dbraw/zinc/06/67/82/469066782.db2.gz VBUVVALOJFZADZ-GBESFXJTSA-N 2 1 339.487 2.384 10 30 EEEEMP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684014 472205311 /nfs/dbraw/zinc/20/53/11/472205311.db2.gz ABBHKUDFSRQCGO-QUCCMNQESA-N 2 1 327.472 2.466 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738686 472229438 /nfs/dbraw/zinc/22/94/38/472229438.db2.gz YPVGALISAWRUDG-ICSRJNTNSA-N 2 1 327.472 2.466 10 30 EEEEMP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000158892132 679365431 /nfs/dbraw/zinc/36/54/31/679365431.db2.gz KFUNEEFRODJCAG-IBGZPJMESA-N 2 1 327.472 2.283 10 30 EEEEMP O=C1[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156812 684144311 /nfs/dbraw/zinc/14/43/11/684144311.db2.gz GVYGSMVFYWDPKT-XLAORIBOSA-N 2 1 329.444 2.009 10 30 EEEEMP O=C1[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156812 684144313 /nfs/dbraw/zinc/14/43/13/684144313.db2.gz GVYGSMVFYWDPKT-XLAORIBOSA-N 2 1 329.444 2.009 10 30 EEEEMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001485557418 1191835169 /nfs/dbraw/zinc/83/51/69/1191835169.db2.gz ALVWVHOTVRRTNK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557418 1191835170 /nfs/dbraw/zinc/83/51/70/1191835170.db2.gz ALVWVHOTVRRTNK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001485557418 1191835172 /nfs/dbraw/zinc/83/51/72/1191835172.db2.gz ALVWVHOTVRRTNK-AZUAARDMSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[NH2+]CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001485780018 1191948732 /nfs/dbraw/zinc/94/87/32/1191948732.db2.gz PYKLSVJTIZKGDU-MJGOQNOKSA-N 2 1 327.472 2.189 10 30 EEEEMP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266837427 1177515357 /nfs/dbraw/zinc/51/53/57/1177515357.db2.gz OTLXDUMWZFYOJI-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266837427 1177515361 /nfs/dbraw/zinc/51/53/61/1177515361.db2.gz OTLXDUMWZFYOJI-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266837427 1177515369 /nfs/dbraw/zinc/51/53/69/1177515369.db2.gz OTLXDUMWZFYOJI-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266837427 1177515379 /nfs/dbraw/zinc/51/53/79/1177515379.db2.gz OTLXDUMWZFYOJI-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001691166851 1177664486 /nfs/dbraw/zinc/66/44/86/1177664486.db2.gz CIXCHGQAZNXLFS-ULQDDVLXSA-N 2 1 330.476 2.205 10 30 EEEEMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266974323 1177955145 /nfs/dbraw/zinc/95/51/45/1177955145.db2.gz DCXCSGOMTSYQEL-QGZVFWFLSA-N 2 1 338.455 2.153 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1F ZINC001267243205 1178596308 /nfs/dbraw/zinc/59/63/08/1178596308.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1F ZINC001267243205 1178596313 /nfs/dbraw/zinc/59/63/13/1178596313.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267356270 1178817143 /nfs/dbraw/zinc/81/71/43/1178817143.db2.gz CHXZPACWYKKYMB-RBUKOAKNSA-N 2 1 327.472 2.330 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001267633813 1180058640 /nfs/dbraw/zinc/05/86/40/1180058640.db2.gz QATTVYHXQMNHFY-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001267633813 1180058648 /nfs/dbraw/zinc/05/86/48/1180058648.db2.gz QATTVYHXQMNHFY-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001267633813 1180058655 /nfs/dbraw/zinc/05/86/55/1180058655.db2.gz QATTVYHXQMNHFY-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267633813 1180058662 /nfs/dbraw/zinc/05/86/62/1180058662.db2.gz QATTVYHXQMNHFY-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CC[NH+]1CCC(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001482045462 1183220282 /nfs/dbraw/zinc/22/02/82/1183220282.db2.gz JCDPQYNPEXLSPQ-UHFFFAOYSA-N 2 1 346.475 2.288 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001268734061 1183652621 /nfs/dbraw/zinc/65/26/21/1183652621.db2.gz QVMGKCLUURIIOX-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001268734061 1183652622 /nfs/dbraw/zinc/65/26/22/1183652622.db2.gz QVMGKCLUURIIOX-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001268734061 1183652625 /nfs/dbraw/zinc/65/26/25/1183652625.db2.gz QVMGKCLUURIIOX-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCC1CCCC1 ZINC001268734061 1183652629 /nfs/dbraw/zinc/65/26/29/1183652629.db2.gz QVMGKCLUURIIOX-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCC1CCCC1 ZINC001268734061 1183652631 /nfs/dbraw/zinc/65/26/31/1183652631.db2.gz QVMGKCLUURIIOX-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268956958 1183850564 /nfs/dbraw/zinc/85/05/64/1183850564.db2.gz BMPQZOKVWPATFH-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269615185 1184438886 /nfs/dbraw/zinc/43/88/86/1184438886.db2.gz PFYOHNDZYCAHLD-UZLBHIALSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001270051541 1184812401 /nfs/dbraw/zinc/81/24/01/1184812401.db2.gz YARZLBPEOSQNAK-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439880 1185724947 /nfs/dbraw/zinc/72/49/47/1185724947.db2.gz WXMTXFIOWYSBRW-UYAOXDASSA-N 2 1 341.499 2.205 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271665561 1186364464 /nfs/dbraw/zinc/36/44/64/1186364464.db2.gz LFTDICDFUAVQPN-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482946029 1187876270 /nfs/dbraw/zinc/87/62/70/1187876270.db2.gz BZEPKXSPUCANPU-ICSRJNTNSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001670973751 1193536607 /nfs/dbraw/zinc/53/66/07/1193536607.db2.gz FQUGQFFVQASZOU-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001670985335 1193538513 /nfs/dbraw/zinc/53/85/13/1193538513.db2.gz PUWKJGVOCXMLCX-UHFFFAOYSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001484101317 1191211233 /nfs/dbraw/zinc/21/12/33/1191211233.db2.gz QMPSRXHYAZBSQV-FQEVSTJZSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001484558382 1191414579 /nfs/dbraw/zinc/41/45/79/1191414579.db2.gz FIPFLDPNJCJGPU-APWZRJJASA-N 2 1 327.472 2.461 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001484572669 1191422273 /nfs/dbraw/zinc/42/22/73/1191422273.db2.gz OBHWZEICCGMXBK-QAQDUYKDSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001484923384 1191576586 /nfs/dbraw/zinc/57/65/86/1191576586.db2.gz NSFQMCMIOFUHBE-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001485239474 1191705478 /nfs/dbraw/zinc/70/54/78/1191705478.db2.gz POPUZZDLKUXSRL-IPBNWZBTSA-N 2 1 337.895 2.196 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001485239474 1191705479 /nfs/dbraw/zinc/70/54/79/1191705479.db2.gz POPUZZDLKUXSRL-IPBNWZBTSA-N 2 1 337.895 2.196 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001273412812 1198671535 /nfs/dbraw/zinc/67/15/35/1198671535.db2.gz KMFJVJHXDJHRPM-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001411097119 1198783696 /nfs/dbraw/zinc/78/36/96/1198783696.db2.gz JFCDFURIPGEBBD-ZDUSSCGKSA-N 2 1 346.313 2.063 10 30 EEEEMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000867966985 1201716794 /nfs/dbraw/zinc/71/67/94/1201716794.db2.gz WUKZAKNPIWMPNJ-IBGZPJMESA-N 2 1 332.407 2.029 10 30 EEEEMP C#CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355873 1202496021 /nfs/dbraw/zinc/49/60/21/1202496021.db2.gz OWHXNJYNVFKGAU-LJQANCHMSA-N 2 1 339.483 2.244 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274106047 1204373093 /nfs/dbraw/zinc/37/30/93/1204373093.db2.gz UWWDWELLIVNJBV-FFPCURRISA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274731768 1205145620 /nfs/dbraw/zinc/14/56/20/1205145620.db2.gz GUZODWOTLIQERY-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274731768 1205145622 /nfs/dbraw/zinc/14/56/22/1205145622.db2.gz GUZODWOTLIQERY-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274856457 1205188947 /nfs/dbraw/zinc/18/89/47/1205188947.db2.gz KYARSFLWHJSHOW-RTBURBONSA-N 2 1 327.472 2.066 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274856457 1205188950 /nfs/dbraw/zinc/18/89/50/1205188950.db2.gz KYARSFLWHJSHOW-RTBURBONSA-N 2 1 327.472 2.066 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccsc2)CC1 ZINC001275729011 1205501451 /nfs/dbraw/zinc/50/14/51/1205501451.db2.gz JBNLIWGXDJNJOS-HNNXBMFYSA-N 2 1 333.501 2.030 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789329 1205527856 /nfs/dbraw/zinc/52/78/56/1205527856.db2.gz BJBHBDHCXVWUMX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789329 1205527858 /nfs/dbraw/zinc/52/78/58/1205527858.db2.gz BJBHBDHCXVWUMX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789329 1205527859 /nfs/dbraw/zinc/52/78/59/1205527859.db2.gz BJBHBDHCXVWUMX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789329 1205527861 /nfs/dbraw/zinc/52/78/61/1205527861.db2.gz BJBHBDHCXVWUMX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001276137715 1205794997 /nfs/dbraw/zinc/79/49/97/1205794997.db2.gz GLRPDOOFCUQXKQ-HKUYNNGSSA-N 2 1 344.503 2.240 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001491222905 1258802439 /nfs/dbraw/zinc/80/24/39/1258802439.db2.gz SSQNJJCGVMZXKU-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001491222905 1258802449 /nfs/dbraw/zinc/80/24/49/1258802449.db2.gz SSQNJJCGVMZXKU-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001491222905 1258802457 /nfs/dbraw/zinc/80/24/57/1258802457.db2.gz SSQNJJCGVMZXKU-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277149125 1301516749 /nfs/dbraw/zinc/51/67/49/1301516749.db2.gz ZMUUDSKLWMJOBL-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277265024 1302076477 /nfs/dbraw/zinc/07/64/77/1302076477.db2.gz WKMQXRVBVJAOMF-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](C/C=C/Cl)CC1 ZINC001278194515 1306245354 /nfs/dbraw/zinc/24/53/54/1306245354.db2.gz OYESQXMUANPLHR-UXBLZVDNSA-N 2 1 339.911 2.397 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001278726542 1317882902 /nfs/dbraw/zinc/88/29/02/1317882902.db2.gz WOIVTHRVALNLRX-KRWDZBQOSA-N 2 1 337.508 2.080 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263884671 1322547493 /nfs/dbraw/zinc/54/74/93/1322547493.db2.gz XXFBJIXEVGMAIM-RBUKOAKNSA-N 2 1 339.483 2.078 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263884671 1322547498 /nfs/dbraw/zinc/54/74/98/1322547498.db2.gz XXFBJIXEVGMAIM-RBUKOAKNSA-N 2 1 339.483 2.078 10 30 EEEEMP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264448217 1322703884 /nfs/dbraw/zinc/70/38/84/1322703884.db2.gz VIVPIXGJRKNMQL-HSALFYBXSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001264448217 1322703886 /nfs/dbraw/zinc/70/38/86/1322703886.db2.gz VIVPIXGJRKNMQL-HSALFYBXSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001264448217 1322703890 /nfs/dbraw/zinc/70/38/90/1322703890.db2.gz VIVPIXGJRKNMQL-HSALFYBXSA-N 2 1 341.499 2.489 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921270 /nfs/dbraw/zinc/92/12/70/1322921270.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921274 /nfs/dbraw/zinc/92/12/74/1322921274.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921278 /nfs/dbraw/zinc/92/12/78/1322921278.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[C@H](C(=O)NCCC[N@@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265143125 1322945533 /nfs/dbraw/zinc/94/55/33/1322945533.db2.gz XYVJZJYELBWDCA-LJQANCHMSA-N 2 1 347.478 2.346 10 30 EEEEMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(C#N)cc1 ZINC001266062281 1323615505 /nfs/dbraw/zinc/61/55/05/1323615505.db2.gz GIYTXYGTPGNSIG-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(C#N)cc1 ZINC001266062281 1323615512 /nfs/dbraw/zinc/61/55/12/1323615512.db2.gz GIYTXYGTPGNSIG-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155752 1323725096 /nfs/dbraw/zinc/72/50/96/1323725096.db2.gz QHWUZWPMAUOKSQ-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001279282158 1323863542 /nfs/dbraw/zinc/86/35/42/1323863542.db2.gz VDVOCNNQRAPDGQ-MKXGPGLRSA-N 2 1 331.504 2.149 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001280761450 1324488795 /nfs/dbraw/zinc/48/87/95/1324488795.db2.gz XWSXITMPBNOIHN-UXHICEINSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748242 1325435140 /nfs/dbraw/zinc/43/51/40/1325435140.db2.gz VAORLCIMWMCBHI-IRXDYDNUSA-N 2 1 345.462 2.003 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282664957 1325760166 /nfs/dbraw/zinc/76/01/66/1325760166.db2.gz CKFLRWFWLPFZKN-IAGOWNOFSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001282993137 1325871207 /nfs/dbraw/zinc/87/12/07/1325871207.db2.gz USNXHXUIZJYKQN-OYRHEFFESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001282993137 1325871208 /nfs/dbraw/zinc/87/12/08/1325871208.db2.gz USNXHXUIZJYKQN-OYRHEFFESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001284149843 1326436048 /nfs/dbraw/zinc/43/60/48/1326436048.db2.gz ZEDYLZVVEQVTEA-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001284149843 1326436051 /nfs/dbraw/zinc/43/60/51/1326436051.db2.gz ZEDYLZVVEQVTEA-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001284149843 1326436053 /nfs/dbraw/zinc/43/60/53/1326436053.db2.gz ZEDYLZVVEQVTEA-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001284149843 1326436055 /nfs/dbraw/zinc/43/60/55/1326436055.db2.gz ZEDYLZVVEQVTEA-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001285003687 1326822082 /nfs/dbraw/zinc/82/20/82/1326822082.db2.gz HFKUCRUBVVGBDD-SFHVURJKSA-N 2 1 331.435 2.039 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491897233 1330294455 /nfs/dbraw/zinc/29/44/55/1330294455.db2.gz UPROGRPXMNUXHE-RTBURBONSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491897233 1330294457 /nfs/dbraw/zinc/29/44/57/1330294457.db2.gz UPROGRPXMNUXHE-RTBURBONSA-N 2 1 327.472 2.159 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161385 1332106047 /nfs/dbraw/zinc/10/60/47/1332106047.db2.gz HNPTVFCJWRHRJJ-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317788017 1332408743 /nfs/dbraw/zinc/40/87/43/1332408743.db2.gz HTLKIAYBQCWVMH-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317788017 1332408745 /nfs/dbraw/zinc/40/87/45/1332408745.db2.gz HTLKIAYBQCWVMH-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317788017 1332408748 /nfs/dbraw/zinc/40/87/48/1332408748.db2.gz HTLKIAYBQCWVMH-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317802873 1332414210 /nfs/dbraw/zinc/41/42/10/1332414210.db2.gz ZSWYYTRIIGRQKZ-IBGZPJMESA-N 2 1 341.499 2.256 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001318228822 1332493372 /nfs/dbraw/zinc/49/33/72/1332493372.db2.gz SNYZMPIGXXDMSO-IHPCNDPISA-N 2 1 345.531 2.299 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001319817434 1332775517 /nfs/dbraw/zinc/77/55/17/1332775517.db2.gz AFZHDYDGHLYDMG-HOTGVXAUSA-N 2 1 346.475 2.287 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001320111175 1332829654 /nfs/dbraw/zinc/82/96/54/1332829654.db2.gz MLCAVMIYENTQTI-MSOLQXFVSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001320111175 1332829657 /nfs/dbraw/zinc/82/96/57/1332829657.db2.gz MLCAVMIYENTQTI-MSOLQXFVSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001322549430 1333280944 /nfs/dbraw/zinc/28/09/44/1333280944.db2.gz OUGNJFZNYNBDMF-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001322549430 1333280946 /nfs/dbraw/zinc/28/09/46/1333280946.db2.gz OUGNJFZNYNBDMF-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](CC=C)CC1 ZINC001324427325 1333680998 /nfs/dbraw/zinc/68/09/98/1333680998.db2.gz VUWUINARLWZJID-UHFFFAOYSA-N 2 1 328.460 2.084 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCC1 ZINC001326834925 1334167063 /nfs/dbraw/zinc/16/70/63/1334167063.db2.gz QAHRRVZHNNZKPX-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCC1 ZINC001326834925 1334167065 /nfs/dbraw/zinc/16/70/65/1334167065.db2.gz QAHRRVZHNNZKPX-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC001328354177 1334448995 /nfs/dbraw/zinc/44/89/95/1334448995.db2.gz NZSBXXZFOJFKBX-JEVOJNTISA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC001328354177 1334448998 /nfs/dbraw/zinc/44/89/98/1334448998.db2.gz NZSBXXZFOJFKBX-JEVOJNTISA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329461312 1334655139 /nfs/dbraw/zinc/65/51/39/1334655139.db2.gz UTLNYUKCGIGPIS-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCCC1 ZINC001329461312 1334655143 /nfs/dbraw/zinc/65/51/43/1334655143.db2.gz UTLNYUKCGIGPIS-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCCC1 ZINC001329461312 1334655146 /nfs/dbraw/zinc/65/51/46/1334655146.db2.gz UTLNYUKCGIGPIS-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC1CCCC1 ZINC001329461312 1334655149 /nfs/dbraw/zinc/65/51/49/1334655149.db2.gz UTLNYUKCGIGPIS-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329461312 1334655152 /nfs/dbraw/zinc/65/51/52/1334655152.db2.gz UTLNYUKCGIGPIS-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001331944455 1335683700 /nfs/dbraw/zinc/68/37/00/1335683700.db2.gz QLZJGQRAOIEHLD-QFBILLFUSA-N 2 1 345.462 2.096 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812189 1335912098 /nfs/dbraw/zinc/91/20/98/1335912098.db2.gz ZENFADBFUYQQMX-AEFFLSMTSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023140 1335949655 /nfs/dbraw/zinc/94/96/55/1335949655.db2.gz YFJYKZKHSBVCBR-ZIAGYGMSSA-N 2 1 335.414 2.273 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001567731375 1342826751 /nfs/dbraw/zinc/82/67/51/1342826751.db2.gz MFVFNPBZCNJNHV-OAHLLOKOSA-N 2 1 334.464 2.096 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001567731375 1342826753 /nfs/dbraw/zinc/82/67/53/1342826753.db2.gz MFVFNPBZCNJNHV-OAHLLOKOSA-N 2 1 334.464 2.096 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001570732772 1343109210 /nfs/dbraw/zinc/10/92/10/1343109210.db2.gz YKLHYNIASSMEJQ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001570732772 1343109213 /nfs/dbraw/zinc/10/92/13/1343109213.db2.gz YKLHYNIASSMEJQ-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001571021770 1343153348 /nfs/dbraw/zinc/15/33/48/1343153348.db2.gz JQCLXUDBEJAOOS-OTWHNJEPSA-N 2 1 331.504 2.102 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661491548 1354645343 /nfs/dbraw/zinc/64/53/43/1354645343.db2.gz OABBRJXBQXAVBF-IYARVYRRSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001662646727 1354819303 /nfs/dbraw/zinc/81/93/03/1354819303.db2.gz VNPWVWMRTWWKQL-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001662646727 1354819310 /nfs/dbraw/zinc/81/93/10/1354819310.db2.gz VNPWVWMRTWWKQL-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563807 1355545212 /nfs/dbraw/zinc/54/52/12/1355545212.db2.gz WCASOOCOQKETEJ-INIZCTEOSA-N 2 1 345.462 2.003 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001667197189 1355670433 /nfs/dbraw/zinc/67/04/33/1355670433.db2.gz GXKPCRAIFQVMFN-DLBZAZTESA-N 2 1 348.491 2.036 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001669749966 1356202472 /nfs/dbraw/zinc/20/24/72/1356202472.db2.gz DDFNWKSDVXUXGP-GHTZIAJQSA-N 2 1 349.478 2.435 10 30 EEEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001671673543 1356389895 /nfs/dbraw/zinc/38/98/95/1356389895.db2.gz JOSKAUNMKFAYGD-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001671673543 1356389901 /nfs/dbraw/zinc/38/99/01/1356389901.db2.gz JOSKAUNMKFAYGD-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001671673543 1356389906 /nfs/dbraw/zinc/38/99/06/1356389906.db2.gz JOSKAUNMKFAYGD-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001671673543 1356389911 /nfs/dbraw/zinc/38/99/11/1356389911.db2.gz JOSKAUNMKFAYGD-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001672538400 1356550018 /nfs/dbraw/zinc/55/00/18/1356550018.db2.gz QAROVMOWFPYVEK-VQTJNVASSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001672538400 1356550023 /nfs/dbraw/zinc/55/00/23/1356550023.db2.gz QAROVMOWFPYVEK-VQTJNVASSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538400 1356550024 /nfs/dbraw/zinc/55/00/24/1356550024.db2.gz QAROVMOWFPYVEK-VQTJNVASSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538400 1356550028 /nfs/dbraw/zinc/55/00/28/1356550028.db2.gz QAROVMOWFPYVEK-VQTJNVASSA-N 2 1 341.499 2.412 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC)CC1 ZINC001673628664 1356719721 /nfs/dbraw/zinc/71/97/21/1356719721.db2.gz ALWHWFZLQUYRQV-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC)CC1 ZINC001673628664 1356719727 /nfs/dbraw/zinc/71/97/27/1356719727.db2.gz ALWHWFZLQUYRQV-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001673655780 1356729145 /nfs/dbraw/zinc/72/91/45/1356729145.db2.gz VPDWDAHOMHDIKZ-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001673655780 1356729148 /nfs/dbraw/zinc/72/91/48/1356729148.db2.gz VPDWDAHOMHDIKZ-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001673655780 1356729150 /nfs/dbraw/zinc/72/91/50/1356729150.db2.gz VPDWDAHOMHDIKZ-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001673655780 1356729153 /nfs/dbraw/zinc/72/91/53/1356729153.db2.gz VPDWDAHOMHDIKZ-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001698719617 1405023931 /nfs/dbraw/zinc/02/39/31/1405023931.db2.gz VEJUENZCSSPPHP-UHFFFAOYSA-N 2 1 335.451 2.158 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001698719617 1405023940 /nfs/dbraw/zinc/02/39/40/1405023940.db2.gz VEJUENZCSSPPHP-UHFFFAOYSA-N 2 1 335.451 2.158 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941126842 779930147 /nfs/dbraw/zinc/93/01/47/779930147.db2.gz QBVHISZAZGPMKZ-KRWDZBQOSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941126842 779930155 /nfs/dbraw/zinc/93/01/55/779930155.db2.gz QBVHISZAZGPMKZ-KRWDZBQOSA-N 2 1 339.443 2.284 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437987584 1090581780 /nfs/dbraw/zinc/58/17/80/1090581780.db2.gz YVNPFNZBUDQLQH-CVEARBPZSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001437987584 1090581785 /nfs/dbraw/zinc/58/17/85/1090581785.db2.gz YVNPFNZBUDQLQH-CVEARBPZSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001437987584 1090581792 /nfs/dbraw/zinc/58/17/92/1090581792.db2.gz YVNPFNZBUDQLQH-CVEARBPZSA-N 2 1 327.900 2.392 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC001440189220 1093252911 /nfs/dbraw/zinc/25/29/11/1093252911.db2.gz IOFZZNRWUOAICJ-MOPGFXCFSA-N 2 1 340.471 2.075 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001440387604 1093562422 /nfs/dbraw/zinc/56/24/22/1093562422.db2.gz AUEIOVGDXWXHIZ-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601531 1096970986 /nfs/dbraw/zinc/97/09/86/1096970986.db2.gz HLFYTWPBXXTLNE-HUUCEWRRSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001480382519 1100175296 /nfs/dbraw/zinc/17/52/96/1100175296.db2.gz JTLVJQIUJAQOLF-AEFFLSMTSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC001495002912 1104646506 /nfs/dbraw/zinc/64/65/06/1104646506.db2.gz NWDXNEWPJPUCIM-NZONOLPTSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC001495002912 1104646508 /nfs/dbraw/zinc/64/65/08/1104646508.db2.gz NWDXNEWPJPUCIM-NZONOLPTSA-N 2 1 339.483 2.282 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001497994033 1106752528 /nfs/dbraw/zinc/75/25/28/1106752528.db2.gz VWLMMWYMIPUPID-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001498304988 1107256777 /nfs/dbraw/zinc/25/67/77/1107256777.db2.gz IHUXEQBJUMHHDJ-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001498304988 1107256790 /nfs/dbraw/zinc/25/67/90/1107256790.db2.gz IHUXEQBJUMHHDJ-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001498304988 1107256800 /nfs/dbraw/zinc/25/68/00/1107256800.db2.gz IHUXEQBJUMHHDJ-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001498304988 1107256811 /nfs/dbraw/zinc/25/68/11/1107256811.db2.gz IHUXEQBJUMHHDJ-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CCC[NH+]1CCCC1 ZINC001493064316 1107427020 /nfs/dbraw/zinc/42/70/20/1107427020.db2.gz UPOHFJSAFGFDNS-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)CCC[NH+]1CCCC1 ZINC001493064316 1107427026 /nfs/dbraw/zinc/42/70/26/1107427026.db2.gz UPOHFJSAFGFDNS-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001493146525 1107589972 /nfs/dbraw/zinc/58/99/72/1107589972.db2.gz GEIIOVXFBIZPCH-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001493146525 1107589980 /nfs/dbraw/zinc/58/99/80/1107589980.db2.gz GEIIOVXFBIZPCH-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498505942 1107649131 /nfs/dbraw/zinc/64/91/31/1107649131.db2.gz VOAJEOHSEAMLMO-OALUTQOASA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498505942 1107649137 /nfs/dbraw/zinc/64/91/37/1107649137.db2.gz VOAJEOHSEAMLMO-OALUTQOASA-N 2 1 327.472 2.016 10 30 EEEEMP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493762125 1108636541 /nfs/dbraw/zinc/63/65/41/1108636541.db2.gz QENFGTBVCGCYKH-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153951 1113217818 /nfs/dbraw/zinc/21/78/18/1113217818.db2.gz YQTCIRUCWPGYDK-LPHOPBHVSA-N 2 1 342.487 2.083 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC/C=C\CC)C1 ZINC001501578722 1113389309 /nfs/dbraw/zinc/38/93/09/1113389309.db2.gz NWKWYHUKKGTFBO-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC/C=C\CC)C1 ZINC001501578722 1113389312 /nfs/dbraw/zinc/38/93/12/1113389312.db2.gz NWKWYHUKKGTFBO-WYNBNGFRSA-N 2 1 331.504 2.269 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001502473557 1113698079 /nfs/dbraw/zinc/69/80/79/1113698079.db2.gz RQEKVIPFSAWPES-ROUUACIJSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503690132 1113899186 /nfs/dbraw/zinc/89/91/86/1113899186.db2.gz FEMXWJBJOZHASF-IBGZPJMESA-N 2 1 327.472 2.066 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001505408670 1113943754 /nfs/dbraw/zinc/94/37/54/1113943754.db2.gz JBBRHDYDDKQHLR-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001506720392 1114829696 /nfs/dbraw/zinc/82/96/96/1114829696.db2.gz HXQYLPSMUVWZTK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001506720392 1114829699 /nfs/dbraw/zinc/82/96/99/1114829699.db2.gz HXQYLPSMUVWZTK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001506720392 1114829703 /nfs/dbraw/zinc/82/97/03/1114829703.db2.gz HXQYLPSMUVWZTK-UYAOXDASSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001507328925 1115195051 /nfs/dbraw/zinc/19/50/51/1115195051.db2.gz YJSVKKKBALNQLV-HKUYNNGSSA-N 2 1 329.488 2.316 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001508075804 1115413167 /nfs/dbraw/zinc/41/31/67/1115413167.db2.gz YYUPCJPKSIFAGW-AWEZNQCLSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508230754 1115455830 /nfs/dbraw/zinc/45/58/30/1115455830.db2.gz TWTOYQLDNQDNIJ-LJQANCHMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001568248011 1124384366 /nfs/dbraw/zinc/38/43/66/1124384366.db2.gz ZZPUUBOVYXSEGN-UHFFFAOYSA-N 2 1 327.472 2.160 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001568248011 1124384370 /nfs/dbraw/zinc/38/43/70/1124384370.db2.gz ZZPUUBOVYXSEGN-UHFFFAOYSA-N 2 1 327.472 2.160 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001569121928 1125111476 /nfs/dbraw/zinc/11/14/76/1125111476.db2.gz RWNMLSAUGZWOBC-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001569121928 1125111477 /nfs/dbraw/zinc/11/14/77/1125111477.db2.gz RWNMLSAUGZWOBC-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCC2(CC2)CC1 ZINC001569121928 1125111482 /nfs/dbraw/zinc/11/14/82/1125111482.db2.gz RWNMLSAUGZWOBC-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCC2(CC2)CC1 ZINC001569121928 1125111484 /nfs/dbraw/zinc/11/14/84/1125111484.db2.gz RWNMLSAUGZWOBC-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1F ZINC001569211378 1125168136 /nfs/dbraw/zinc/16/81/36/1125168136.db2.gz ZCCFKYWBUMEZRM-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1F ZINC001569211378 1125168139 /nfs/dbraw/zinc/16/81/39/1125168139.db2.gz ZCCFKYWBUMEZRM-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000370225967 466804099 /nfs/dbraw/zinc/80/40/99/466804099.db2.gz AHZQITJBHUUDFQ-UHFFFAOYSA-N 2 1 331.464 2.339 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596724703 469344375 /nfs/dbraw/zinc/34/43/75/469344375.db2.gz CDRDWDBNWMOGFK-ZDUSSCGKSA-N 2 1 335.427 2.091 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596724703 469344380 /nfs/dbraw/zinc/34/43/80/469344380.db2.gz CDRDWDBNWMOGFK-ZDUSSCGKSA-N 2 1 335.427 2.091 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC[NH2+]1 ZINC000662682748 472204006 /nfs/dbraw/zinc/20/40/06/472204006.db2.gz SYCHIPHTQPECAM-SFHVURJKSA-N 2 1 333.501 2.133 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794802 472254926 /nfs/dbraw/zinc/25/49/26/472254926.db2.gz UBUNEKXWQDHVNN-IMFGXOCKSA-N 2 1 327.472 2.321 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873281 472287017 /nfs/dbraw/zinc/28/70/17/472287017.db2.gz VQPIKXFWSKODRH-TZIWHRDSSA-N 2 1 341.499 2.460 10 30 EEEEMP Cc1c(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)ccc2c[nH+]cn21 ZINC001266290900 1176137752 /nfs/dbraw/zinc/13/77/52/1176137752.db2.gz OIIBYMDIOQBCLC-UHFFFAOYSA-N 2 1 346.434 2.356 10 30 EEEEMP Cc1c(C(=O)NCC[N@H+](C)CC#Cc2ccccc2)ccc2c[nH+]cn21 ZINC001266290900 1176137756 /nfs/dbraw/zinc/13/77/56/1176137756.db2.gz OIIBYMDIOQBCLC-UHFFFAOYSA-N 2 1 346.434 2.356 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001266436450 1176532330 /nfs/dbraw/zinc/53/23/30/1176532330.db2.gz DPBQQBFRHBNLDV-LJQANCHMSA-N 2 1 345.462 2.003 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266470058 1176596827 /nfs/dbraw/zinc/59/68/27/1176596827.db2.gz YPFVCHJXUCKGNC-GOSISDBHSA-N 2 1 327.472 2.165 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691146172 1177635993 /nfs/dbraw/zinc/63/59/93/1177635993.db2.gz OUXYHWHLGBXYGL-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691146172 1177635998 /nfs/dbraw/zinc/63/59/98/1177635998.db2.gz OUXYHWHLGBXYGL-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691146172 1177636000 /nfs/dbraw/zinc/63/60/00/1177636000.db2.gz OUXYHWHLGBXYGL-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691146172 1177636007 /nfs/dbraw/zinc/63/60/07/1177636007.db2.gz OUXYHWHLGBXYGL-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001691404702 1178009855 /nfs/dbraw/zinc/00/98/55/1178009855.db2.gz XOOPFNOPEDUGRN-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691446824 1178833718 /nfs/dbraw/zinc/83/37/18/1178833718.db2.gz GVCLOILIFFYHGO-KSZLIROESA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691446824 1178833726 /nfs/dbraw/zinc/83/37/26/1178833726.db2.gz GVCLOILIFFYHGO-KSZLIROESA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001268123056 1181770872 /nfs/dbraw/zinc/77/08/72/1181770872.db2.gz HGDPOVNEKWFXJA-HXUWFJFHSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001268123056 1181770877 /nfs/dbraw/zinc/77/08/77/1181770877.db2.gz HGDPOVNEKWFXJA-HXUWFJFHSA-N 2 1 341.499 2.406 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481912993 1182936989 /nfs/dbraw/zinc/93/69/89/1182936989.db2.gz UZTBVMPKGJIVGV-IAGOWNOFSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481912993 1182936995 /nfs/dbraw/zinc/93/69/95/1182936995.db2.gz UZTBVMPKGJIVGV-IAGOWNOFSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001482032724 1183174367 /nfs/dbraw/zinc/17/43/67/1183174367.db2.gz IPOMLZCVQSJHCY-LJQANCHMSA-N 2 1 327.472 2.148 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268547116 1183228991 /nfs/dbraw/zinc/22/89/91/1183228991.db2.gz FHIDIFNICULYMM-SFFCAUCYSA-N 2 1 340.471 2.195 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268547116 1183228995 /nfs/dbraw/zinc/22/89/95/1183228995.db2.gz FHIDIFNICULYMM-SFFCAUCYSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC001268551624 1183236166 /nfs/dbraw/zinc/23/61/66/1183236166.db2.gz CWUZEPWAMZLVOJ-KRZVHVFCSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC001268551624 1183236174 /nfs/dbraw/zinc/23/61/74/1183236174.db2.gz CWUZEPWAMZLVOJ-KRZVHVFCSA-N 2 1 325.456 2.107 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001268713230 1183636185 /nfs/dbraw/zinc/63/61/85/1183636185.db2.gz PSXQITCUKUDNSR-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001269621708 1184446721 /nfs/dbraw/zinc/44/67/21/1184446721.db2.gz MLVXFZKNHIBBIB-GOSISDBHSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CCCF)CC1 ZINC001270315444 1185010512 /nfs/dbraw/zinc/01/05/12/1185010512.db2.gz PBKKXGCWPHMOHL-ZWKOTPCHSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001270737461 1185355529 /nfs/dbraw/zinc/35/55/29/1185355529.db2.gz NBARCGZQBKYKSK-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001270737461 1185355530 /nfs/dbraw/zinc/35/55/30/1185355530.db2.gz NBARCGZQBKYKSK-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCF)C1 ZINC001270737264 1185355635 /nfs/dbraw/zinc/35/56/35/1185355635.db2.gz JEHDXTMBAWKVAW-PKOBYXMFSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCF)C1 ZINC001270737264 1185355640 /nfs/dbraw/zinc/35/56/40/1185355640.db2.gz JEHDXTMBAWKVAW-PKOBYXMFSA-N 2 1 337.483 2.052 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001482329877 1185412446 /nfs/dbraw/zinc/41/24/46/1185412446.db2.gz FOUWCOUJECUMHP-CZUORRHYSA-N 2 1 333.879 2.388 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001271069343 1185855178 /nfs/dbraw/zinc/85/51/78/1185855178.db2.gz ZUYPCNYTYNTYOX-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC001271779535 1186476814 /nfs/dbraw/zinc/47/68/14/1186476814.db2.gz YGOGSQLEVQQBJF-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001271779535 1186476818 /nfs/dbraw/zinc/47/68/18/1186476818.db2.gz YGOGSQLEVQQBJF-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001271779535 1186476821 /nfs/dbraw/zinc/47/68/21/1186476821.db2.gz YGOGSQLEVQQBJF-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001482531056 1186523833 /nfs/dbraw/zinc/52/38/33/1186523833.db2.gz IZZCVLPYBHERLY-IEBWSBKVSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC=C)C2)CC1 ZINC001482665026 1187538585 /nfs/dbraw/zinc/53/85/85/1187538585.db2.gz INNCTDGZDJEDEN-WOJBJXKFSA-N 2 1 343.515 2.221 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001691622873 1188322744 /nfs/dbraw/zinc/32/27/44/1188322744.db2.gz CCILFOSNROZFGZ-UHFFFAOYSA-N 2 1 335.879 2.080 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483197944 1189084134 /nfs/dbraw/zinc/08/41/34/1189084134.db2.gz SXQAEGLSFUUOMA-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001483470732 1190492911 /nfs/dbraw/zinc/49/29/11/1190492911.db2.gz BXRWRZGBVBWXJJ-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001483470732 1190492913 /nfs/dbraw/zinc/49/29/13/1190492913.db2.gz BXRWRZGBVBWXJJ-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987465 1191143604 /nfs/dbraw/zinc/14/36/04/1191143604.db2.gz QSVGFDLFONJVIJ-GOSISDBHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484165859 1191253623 /nfs/dbraw/zinc/25/36/23/1191253623.db2.gz ZQHPXPOXZQABCQ-IBGZPJMESA-N 2 1 333.520 2.350 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484385482 1191326010 /nfs/dbraw/zinc/32/60/10/1191326010.db2.gz JEIUXFVGBMMSTH-HKUYNNGSSA-N 2 1 329.488 2.379 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484385482 1191326012 /nfs/dbraw/zinc/32/60/12/1191326012.db2.gz JEIUXFVGBMMSTH-HKUYNNGSSA-N 2 1 329.488 2.379 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001485061830 1191639860 /nfs/dbraw/zinc/63/98/60/1191639860.db2.gz XMRLQPBUNBANSS-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001485061830 1191639862 /nfs/dbraw/zinc/63/98/62/1191639862.db2.gz XMRLQPBUNBANSS-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001485061830 1191639863 /nfs/dbraw/zinc/63/98/63/1191639863.db2.gz XMRLQPBUNBANSS-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001485061830 1191639865 /nfs/dbraw/zinc/63/98/65/1191639865.db2.gz XMRLQPBUNBANSS-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001410321853 1197703332 /nfs/dbraw/zinc/70/33/32/1197703332.db2.gz DLXWPKYVBDUJQM-LJQANCHMSA-N 2 1 342.487 2.225 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001410927666 1198592071 /nfs/dbraw/zinc/59/20/71/1198592071.db2.gz UZGLHRDMQIDVOD-HRCADAONSA-N 2 1 327.900 2.296 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261964 1201440183 /nfs/dbraw/zinc/44/01/83/1201440183.db2.gz PKVKCYKVHFTPOQ-IAGOWNOFSA-N 2 1 328.460 2.181 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261964 1201440187 /nfs/dbraw/zinc/44/01/87/1201440187.db2.gz PKVKCYKVHFTPOQ-IAGOWNOFSA-N 2 1 328.460 2.181 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666482 1201573974 /nfs/dbraw/zinc/57/39/74/1201573974.db2.gz SPYNHNVBTAKKMO-KSZLIROESA-N 2 1 327.428 2.094 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666482 1201573980 /nfs/dbraw/zinc/57/39/80/1201573980.db2.gz SPYNHNVBTAKKMO-KSZLIROESA-N 2 1 327.428 2.094 10 30 EEEEMP C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362560 1202497336 /nfs/dbraw/zinc/49/73/36/1202497336.db2.gz CLVZJCPPJONQAD-NLWGTHIKSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000886362560 1202497337 /nfs/dbraw/zinc/49/73/37/1202497337.db2.gz CLVZJCPPJONQAD-NLWGTHIKSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000886362560 1202497338 /nfs/dbraw/zinc/49/73/38/1202497338.db2.gz CLVZJCPPJONQAD-NLWGTHIKSA-N 2 1 339.483 2.111 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720765 1205498567 /nfs/dbraw/zinc/49/85/67/1205498567.db2.gz MOCAAUNBIWPCAR-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720765 1205498568 /nfs/dbraw/zinc/49/85/68/1205498568.db2.gz MOCAAUNBIWPCAR-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720765 1205498569 /nfs/dbraw/zinc/49/85/69/1205498569.db2.gz MOCAAUNBIWPCAR-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275720765 1205498570 /nfs/dbraw/zinc/49/85/70/1205498570.db2.gz MOCAAUNBIWPCAR-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691734532 1210175489 /nfs/dbraw/zinc/17/54/89/1210175489.db2.gz XXBSTYOZRIRGGT-IAGOWNOFSA-N 2 1 330.476 2.247 10 30 EEEEMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303258551 1215785899 /nfs/dbraw/zinc/78/58/99/1215785899.db2.gz KXSFCSQUUOYOCK-LSDHHAIUSA-N 2 1 336.505 2.043 10 30 EEEEMP C=CCCCCCN1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001273623335 1281570109 /nfs/dbraw/zinc/57/01/09/1281570109.db2.gz DMXQBZVCNRSIAP-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCCCCN1CC2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 ZINC001273623335 1281570121 /nfs/dbraw/zinc/57/01/21/1281570121.db2.gz DMXQBZVCNRSIAP-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001490594489 1291495624 /nfs/dbraw/zinc/49/56/24/1291495624.db2.gz FOXMODBNHGYOMF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001490594489 1291495630 /nfs/dbraw/zinc/49/56/30/1291495630.db2.gz FOXMODBNHGYOMF-OALUTQOASA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001490773921 1291719423 /nfs/dbraw/zinc/71/94/23/1291719423.db2.gz DEUGLBXIKZPWER-QGZVFWFLSA-N 2 1 330.476 2.200 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001490773921 1291719429 /nfs/dbraw/zinc/71/94/29/1291719429.db2.gz DEUGLBXIKZPWER-QGZVFWFLSA-N 2 1 330.476 2.200 10 30 EEEEMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852886957 1292225789 /nfs/dbraw/zinc/22/57/89/1292225789.db2.gz ALBVFIYXEGECHY-PXNSSMCTSA-N 2 1 339.483 2.016 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001277475209 1303570368 /nfs/dbraw/zinc/57/03/68/1303570368.db2.gz XEDOFVKCIWRLRS-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001277475209 1303570374 /nfs/dbraw/zinc/57/03/74/1303570374.db2.gz XEDOFVKCIWRLRS-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001278177562 1306183224 /nfs/dbraw/zinc/18/32/24/1306183224.db2.gz TVVYYHRSGJKMAY-AEFFLSMTSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667568 1317607674 /nfs/dbraw/zinc/60/76/74/1317607674.db2.gz RSAQXLGIFNXTJV-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380408 1323892311 /nfs/dbraw/zinc/89/23/11/1323892311.db2.gz QCOSLJABYURVEJ-HDICACEKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380408 1323892315 /nfs/dbraw/zinc/89/23/15/1323892315.db2.gz QCOSLJABYURVEJ-HDICACEKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380408 1323892322 /nfs/dbraw/zinc/89/23/22/1323892322.db2.gz QCOSLJABYURVEJ-HDICACEKSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831782 1325799919 /nfs/dbraw/zinc/79/99/19/1325799919.db2.gz CKWAREBZBGVZPU-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831782 1325799921 /nfs/dbraw/zinc/79/99/21/1325799921.db2.gz CKWAREBZBGVZPU-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001284684796 1326665864 /nfs/dbraw/zinc/66/58/64/1326665864.db2.gz SZAPEVPALOQAEO-JKSUJKDBSA-N 2 1 330.476 2.247 10 30 EEEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001316844474 1331929405 /nfs/dbraw/zinc/92/94/05/1331929405.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001317190217 1332123325 /nfs/dbraw/zinc/12/33/25/1332123325.db2.gz OAUTUTUHFUDVDX-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001317190217 1332123326 /nfs/dbraw/zinc/12/33/26/1332123326.db2.gz OAUTUTUHFUDVDX-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317505664 1332270982 /nfs/dbraw/zinc/27/09/82/1332270982.db2.gz SIQVVKXPDQLXDX-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001317877086 1332439369 /nfs/dbraw/zinc/43/93/69/1332439369.db2.gz SDNZWSGIHIEEMC-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001317877086 1332439370 /nfs/dbraw/zinc/43/93/70/1332439370.db2.gz SDNZWSGIHIEEMC-UHFFFAOYSA-N 2 1 348.491 2.486 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001318553976 1332559854 /nfs/dbraw/zinc/55/98/54/1332559854.db2.gz DPTLTTWKVUARRW-SJLPKXTDSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001319472611 1332708043 /nfs/dbraw/zinc/70/80/43/1332708043.db2.gz JWSTUAOLYMHRBI-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001319472611 1332708046 /nfs/dbraw/zinc/70/80/46/1332708046.db2.gz JWSTUAOLYMHRBI-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001320464926 1332890442 /nfs/dbraw/zinc/89/04/42/1332890442.db2.gz VVOZUUFNBVGJQE-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001324259987 1333644192 /nfs/dbraw/zinc/64/41/92/1333644192.db2.gz DHHRRYRBODXKBM-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001326273598 1334058015 /nfs/dbraw/zinc/05/80/15/1334058015.db2.gz VNKQFGORLULEPB-QZTJIDSGSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001327079525 1334216935 /nfs/dbraw/zinc/21/69/35/1334216935.db2.gz IKQRZKZNOJGSSX-OALUTQOASA-N 2 1 345.487 2.073 10 30 EEEEMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001328686105 1334499403 /nfs/dbraw/zinc/49/94/03/1334499403.db2.gz AQJMOKHYZYZWBS-ILZDJORESA-N 2 1 327.472 2.419 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331282697 1334990314 /nfs/dbraw/zinc/99/03/14/1334990314.db2.gz OYMPBCXVKILMHP-ICSRJNTNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1C ZINC001665803827 1355390422 /nfs/dbraw/zinc/39/04/22/1355390422.db2.gz DEJZXKGFXKBBBQ-MOPGFXCFSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1C ZINC001665803827 1355390426 /nfs/dbraw/zinc/39/04/26/1355390426.db2.gz DEJZXKGFXKBBBQ-MOPGFXCFSA-N 2 1 327.472 2.077 10 30 EEEEMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497889363 1342098916 /nfs/dbraw/zinc/09/89/16/1342098916.db2.gz FOHOQLOSDRRURN-YCPHGPKFSA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059493 1342688721 /nfs/dbraw/zinc/68/87/21/1342688721.db2.gz OQCBTOUWWIZUQE-ICSRJNTNSA-N 2 1 341.499 2.395 10 30 EEEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001676885766 1357231707 /nfs/dbraw/zinc/23/17/07/1357231707.db2.gz DLSWPOMSVOCUQN-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001676885766 1357231713 /nfs/dbraw/zinc/23/17/13/1357231713.db2.gz DLSWPOMSVOCUQN-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001660502737 1354476374 /nfs/dbraw/zinc/47/63/74/1354476374.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001660502737 1354476376 /nfs/dbraw/zinc/47/63/76/1354476376.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001660502737 1354476377 /nfs/dbraw/zinc/47/63/77/1354476377.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661554847 1354656862 /nfs/dbraw/zinc/65/68/62/1354656862.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554847 1354656865 /nfs/dbraw/zinc/65/68/65/1354656865.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554847 1354656868 /nfs/dbraw/zinc/65/68/68/1354656868.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001663537322 1354983303 /nfs/dbraw/zinc/98/33/03/1354983303.db2.gz MEVONVHWUTZGQY-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001663537322 1354983307 /nfs/dbraw/zinc/98/33/07/1354983307.db2.gz MEVONVHWUTZGQY-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001663537322 1354983308 /nfs/dbraw/zinc/98/33/08/1354983308.db2.gz MEVONVHWUTZGQY-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001663597412 1354996608 /nfs/dbraw/zinc/99/66/08/1354996608.db2.gz AUBSMTHDQKACSY-PMACEKPBSA-N 2 1 341.499 2.062 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCCC)CC1 ZINC001666219059 1355488066 /nfs/dbraw/zinc/48/80/66/1355488066.db2.gz LKANSUIQCBPNRW-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCCC)CC1 ZINC001666219059 1355488075 /nfs/dbraw/zinc/48/80/75/1355488075.db2.gz LKANSUIQCBPNRW-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668309110 1355920220 /nfs/dbraw/zinc/92/02/20/1355920220.db2.gz DIUNYWNPKNNRGX-WBVHZDCISA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C\c1ccccc1 ZINC001668454922 1355944455 /nfs/dbraw/zinc/94/44/55/1355944455.db2.gz DZEGOPGWSLHXOV-CRLZUZNUSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C\c1ccccc1 ZINC001668454922 1355944457 /nfs/dbraw/zinc/94/44/57/1355944457.db2.gz DZEGOPGWSLHXOV-CRLZUZNUSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001672170644 1356472783 /nfs/dbraw/zinc/47/27/83/1356472783.db2.gz JCNNRSJPKGJPSZ-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001674942575 1356913910 /nfs/dbraw/zinc/91/39/10/1356913910.db2.gz CORBAOPUOMLUGG-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001674942575 1356913911 /nfs/dbraw/zinc/91/39/11/1356913911.db2.gz CORBAOPUOMLUGG-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001674942575 1356913913 /nfs/dbraw/zinc/91/39/13/1356913913.db2.gz CORBAOPUOMLUGG-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001674942575 1356913917 /nfs/dbraw/zinc/91/39/17/1356913917.db2.gz CORBAOPUOMLUGG-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674944340 1356914889 /nfs/dbraw/zinc/91/48/89/1356914889.db2.gz WCQYNLFQFSPJPX-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674944340 1356914894 /nfs/dbraw/zinc/91/48/94/1356914894.db2.gz WCQYNLFQFSPJPX-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674944340 1356914895 /nfs/dbraw/zinc/91/48/95/1356914895.db2.gz WCQYNLFQFSPJPX-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674944340 1356914901 /nfs/dbraw/zinc/91/49/01/1356914901.db2.gz WCQYNLFQFSPJPX-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC001675263230 1356954589 /nfs/dbraw/zinc/95/45/89/1356954589.db2.gz NTFVVMVXYYURLG-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001698828575 1405096204 /nfs/dbraw/zinc/09/62/04/1405096204.db2.gz IXPBABXEBLOHSL-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001698828575 1405096210 /nfs/dbraw/zinc/09/62/10/1405096210.db2.gz IXPBABXEBLOHSL-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001699104283 1405257998 /nfs/dbraw/zinc/25/79/98/1405257998.db2.gz GXUNAEWRAXJDDO-AWEZNQCLSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699383648 1405344815 /nfs/dbraw/zinc/34/48/15/1405344815.db2.gz HTMXMKKJZDNVBN-LSDHHAIUSA-N 2 1 327.432 2.330 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026718 779736355 /nfs/dbraw/zinc/73/63/55/779736355.db2.gz MRUFFNPVGBSOMI-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026718 779736358 /nfs/dbraw/zinc/73/63/58/779736358.db2.gz MRUFFNPVGBSOMI-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026718 779736363 /nfs/dbraw/zinc/73/63/63/779736363.db2.gz MRUFFNPVGBSOMI-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076617 779797671 /nfs/dbraw/zinc/79/76/71/779797671.db2.gz YRQRXWXGQPLVLI-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000913429093 788868312 /nfs/dbraw/zinc/86/83/12/788868312.db2.gz NBIAJDMCPIYHBE-HKUYNNGSSA-N 2 1 329.488 2.379 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000922328136 800605620 /nfs/dbraw/zinc/60/56/20/800605620.db2.gz DUAYSLPDESEPHZ-LJQANCHMSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000793367246 810287775 /nfs/dbraw/zinc/28/77/75/810287775.db2.gz VIHWFKFAIJEPHI-UHFFFAOYSA-N 2 1 337.423 2.424 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001449004018 1094001656 /nfs/dbraw/zinc/00/16/56/1094001656.db2.gz DDVMEUCXHSKJQO-ICSRJNTNSA-N 2 1 340.471 2.123 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001449023947 1094029992 /nfs/dbraw/zinc/02/99/92/1094029992.db2.gz AVXOIXMXWBOYKZ-BZUAXINKSA-N 2 1 327.900 2.297 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876505 1095996642 /nfs/dbraw/zinc/99/66/42/1095996642.db2.gz NVFVYZJGILPNRX-VQIMIIECSA-N 2 1 342.487 2.273 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609367 1099437175 /nfs/dbraw/zinc/43/71/75/1099437175.db2.gz COWLPYGXHSKREA-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189218 1099786098 /nfs/dbraw/zinc/78/60/98/1099786098.db2.gz LBOBKMRSRVJWMX-OALUTQOASA-N 2 1 342.487 2.308 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189218 1099786112 /nfs/dbraw/zinc/78/61/12/1099786112.db2.gz LBOBKMRSRVJWMX-OALUTQOASA-N 2 1 342.487 2.308 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481010 1100289225 /nfs/dbraw/zinc/28/92/25/1100289225.db2.gz UZGLLXKUPSNZIN-ZIAGYGMSSA-N 2 1 334.489 2.088 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1C ZINC001496717755 1101331819 /nfs/dbraw/zinc/33/18/19/1101331819.db2.gz BJNXUBXWAVDGEV-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1C ZINC001496717755 1101331829 /nfs/dbraw/zinc/33/18/29/1101331829.db2.gz BJNXUBXWAVDGEV-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001496717755 1101331840 /nfs/dbraw/zinc/33/18/40/1101331840.db2.gz BJNXUBXWAVDGEV-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001496717755 1101331851 /nfs/dbraw/zinc/33/18/51/1101331851.db2.gz BJNXUBXWAVDGEV-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497207006 1102126142 /nfs/dbraw/zinc/12/61/42/1102126142.db2.gz WVDUEABRDQCDPM-CQSZACIVSA-N 2 1 346.450 2.166 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001500096331 1112615074 /nfs/dbraw/zinc/61/50/74/1112615074.db2.gz FYLMIXCYYOBFDV-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001501235028 1113255508 /nfs/dbraw/zinc/25/55/08/1113255508.db2.gz BEEAHBZLPHPAHO-QRVBRYPASA-N 2 1 333.520 2.463 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001505416374 1113950276 /nfs/dbraw/zinc/95/02/76/1113950276.db2.gz HBMSPNNCHIYECF-UYAOXDASSA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001506548512 1114690404 /nfs/dbraw/zinc/69/04/04/1114690404.db2.gz JKPNVRJBDXXOQC-MAUKXSAKSA-N 2 1 325.472 2.097 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001506897919 1114958372 /nfs/dbraw/zinc/95/83/72/1114958372.db2.gz CSFUMWGSUZFLQC-BZUAXINKSA-N 2 1 327.900 2.486 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC2(CCC2)C1 ZINC001567964775 1124207104 /nfs/dbraw/zinc/20/71/04/1124207104.db2.gz BTDYJSGCRWKOMZ-ROUUACIJSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC2(CCC2)C1 ZINC001567964775 1124207110 /nfs/dbraw/zinc/20/71/10/1124207110.db2.gz BTDYJSGCRWKOMZ-ROUUACIJSA-N 2 1 331.504 2.149 10 30 EEEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001568026553 1124237593 /nfs/dbraw/zinc/23/75/93/1124237593.db2.gz TYXXHBHJHHSOMQ-HNAYVOBHSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccsc1)CC(C)C ZINC001568331185 1124422618 /nfs/dbraw/zinc/42/26/18/1124422618.db2.gz MULUJJQTYWWNSG-ROUUACIJSA-N 2 1 347.528 2.466 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccsc1)CC(C)C ZINC001568331185 1124422621 /nfs/dbraw/zinc/42/26/21/1124422621.db2.gz MULUJJQTYWWNSG-ROUUACIJSA-N 2 1 347.528 2.466 10 30 EEEEMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000354098170 153106992 /nfs/dbraw/zinc/10/69/92/153106992.db2.gz VMYVLLNSBMRHNH-SFHVURJKSA-N 2 1 341.459 2.139 10 30 EEEEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000354098170 153106996 /nfs/dbraw/zinc/10/69/96/153106996.db2.gz VMYVLLNSBMRHNH-SFHVURJKSA-N 2 1 341.459 2.139 10 30 EEEEMP C#CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121127787 463084708 /nfs/dbraw/zinc/08/47/08/463084708.db2.gz XDHBETBAYUPRAN-KRWDZBQOSA-N 2 1 330.472 2.223 10 30 EEEEMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433020383 467284758 /nfs/dbraw/zinc/28/47/58/467284758.db2.gz RSZMJZWEWGWNHU-GOSISDBHSA-N 2 1 328.460 2.175 10 30 EEEEMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972850 469072327 /nfs/dbraw/zinc/07/23/27/469072327.db2.gz PWCSLABWWOIFDR-ROUUACIJSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972850 469072334 /nfs/dbraw/zinc/07/23/34/469072334.db2.gz PWCSLABWWOIFDR-ROUUACIJSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@@H+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302801 469199842 /nfs/dbraw/zinc/19/98/42/469199842.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302801 469199848 /nfs/dbraw/zinc/19/98/48/469199848.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302801 469199853 /nfs/dbraw/zinc/19/98/53/469199853.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262015854 682848224 /nfs/dbraw/zinc/84/82/24/682848224.db2.gz XSSXMAWYYUEDLW-MAUKXSAKSA-N 2 1 346.523 2.392 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000894638802 683008089 /nfs/dbraw/zinc/00/80/89/683008089.db2.gz GUYPDHODMOSJBY-RBSFLKMASA-N 2 1 348.409 2.441 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000894638802 683008090 /nfs/dbraw/zinc/00/80/90/683008090.db2.gz GUYPDHODMOSJBY-RBSFLKMASA-N 2 1 348.409 2.441 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001691166850 1177664557 /nfs/dbraw/zinc/66/45/57/1177664557.db2.gz CIXCHGQAZNXLFS-BRWVUGGUSA-N 2 1 330.476 2.205 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939296 1177853119 /nfs/dbraw/zinc/85/31/19/1177853119.db2.gz FBMJXBLIUBKXPD-HKUYNNGSSA-N 2 1 327.472 2.005 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001267274033 1178656722 /nfs/dbraw/zinc/65/67/22/1178656722.db2.gz KCROPZDQGDZKBQ-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001267274033 1178656726 /nfs/dbraw/zinc/65/67/26/1178656726.db2.gz KCROPZDQGDZKBQ-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NCCN(C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942500 /nfs/dbraw/zinc/94/25/00/1178942500.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[N@H+](C)CCC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942503 /nfs/dbraw/zinc/94/25/03/1178942503.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942506 /nfs/dbraw/zinc/94/25/06/1178942506.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942510 /nfs/dbraw/zinc/94/25/10/1178942510.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942512 /nfs/dbraw/zinc/94/25/12/1178942512.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001267473883 1179106201 /nfs/dbraw/zinc/10/62/01/1179106201.db2.gz OWCCKBTUKGLIAX-CALCHBBNSA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001267749714 1180403034 /nfs/dbraw/zinc/40/30/34/1180403034.db2.gz RSWCCGQUOPCRDR-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001267749714 1180403037 /nfs/dbraw/zinc/40/30/37/1180403037.db2.gz RSWCCGQUOPCRDR-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267749714 1180403042 /nfs/dbraw/zinc/40/30/42/1180403042.db2.gz RSWCCGQUOPCRDR-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267749714 1180403045 /nfs/dbraw/zinc/40/30/45/1180403045.db2.gz RSWCCGQUOPCRDR-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)CCCn2cc[nH+]c2C)cc1 ZINC001267939286 1180795808 /nfs/dbraw/zinc/79/58/08/1180795808.db2.gz KEENLMAWMIZUCI-UHFFFAOYSA-N 2 1 338.455 2.401 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481432764 1181322509 /nfs/dbraw/zinc/32/25/09/1181322509.db2.gz PQWPNLUZMHHCIR-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481432764 1181322514 /nfs/dbraw/zinc/32/25/14/1181322514.db2.gz PQWPNLUZMHHCIR-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481432764 1181322521 /nfs/dbraw/zinc/32/25/21/1181322521.db2.gz PQWPNLUZMHHCIR-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC/C=C\CC)C2)CC1 ZINC001268044535 1181502145 /nfs/dbraw/zinc/50/21/45/1181502145.db2.gz FSUNDTJSWAQBLF-VOFKWLDRSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC/C=C\CC)C2)CC1 ZINC001268044535 1181502150 /nfs/dbraw/zinc/50/21/50/1181502150.db2.gz FSUNDTJSWAQBLF-VOFKWLDRSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001481526483 1181646567 /nfs/dbraw/zinc/64/65/67/1181646567.db2.gz GIDXJQWASDUOBM-KAGICYHLSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001268068631 1181665904 /nfs/dbraw/zinc/66/59/04/1181665904.db2.gz NDBBMFXWGHXTBB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001268068631 1181665905 /nfs/dbraw/zinc/66/59/05/1181665905.db2.gz NDBBMFXWGHXTBB-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268255953 1182086914 /nfs/dbraw/zinc/08/69/14/1182086914.db2.gz ACWURYAKRSUBBE-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268255953 1182086918 /nfs/dbraw/zinc/08/69/18/1182086918.db2.gz ACWURYAKRSUBBE-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268255953 1182086925 /nfs/dbraw/zinc/08/69/25/1182086925.db2.gz ACWURYAKRSUBBE-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268255953 1182086931 /nfs/dbraw/zinc/08/69/31/1182086931.db2.gz ACWURYAKRSUBBE-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268550555 1183234199 /nfs/dbraw/zinc/23/41/99/1183234199.db2.gz QLNIXIRXYKMBRP-DWTRPJMMSA-N 2 1 325.884 2.408 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268757511 1183677732 /nfs/dbraw/zinc/67/77/32/1183677732.db2.gz RWZOYUHMAOPMPK-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268757511 1183677735 /nfs/dbraw/zinc/67/77/35/1183677735.db2.gz RWZOYUHMAOPMPK-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001482650144 1187480559 /nfs/dbraw/zinc/48/05/59/1187480559.db2.gz PHUWVLLGJPXMGZ-UHFFFAOYSA-N 2 1 345.531 2.302 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482888315 1187814474 /nfs/dbraw/zinc/81/44/74/1187814474.db2.gz IUDPFUPAGCRGME-CABCVRRESA-N 2 1 346.450 2.024 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001483608142 1190587001 /nfs/dbraw/zinc/58/70/01/1190587001.db2.gz QPJHGUQBNPJUBO-LJQANCHMSA-N 2 1 345.462 2.002 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001483967980 1191135764 /nfs/dbraw/zinc/13/57/64/1191135764.db2.gz RGCAWLIHJQIPHO-ZWKOTPCHSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519818 1191393664 /nfs/dbraw/zinc/39/36/64/1191393664.db2.gz BFZPBIRVWOKMQW-CVEARBPZSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484522280 1191397007 /nfs/dbraw/zinc/39/70/07/1191397007.db2.gz GFGXADBRKRVCSZ-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001484822739 1191540877 /nfs/dbraw/zinc/54/08/77/1191540877.db2.gz HDCDZWVESVWJSJ-FQEVSTJZSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001484822739 1191540878 /nfs/dbraw/zinc/54/08/78/1191540878.db2.gz HDCDZWVESVWJSJ-FQEVSTJZSA-N 2 1 341.499 2.447 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001484926257 1191573131 /nfs/dbraw/zinc/57/31/31/1191573131.db2.gz MUJSNJPHXULVOG-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155651 1191668308 /nfs/dbraw/zinc/66/83/08/1191668308.db2.gz CLRKBDSSFXOYLV-UONOGXRCSA-N 2 1 346.450 2.164 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001273105762 1194389249 /nfs/dbraw/zinc/38/92/49/1194389249.db2.gz XZEICLUNHMMCPB-INIZCTEOSA-N 2 1 333.451 2.003 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001410310126 1197672722 /nfs/dbraw/zinc/67/27/22/1197672722.db2.gz JNILSYRDXJHOAG-ARFHVFGLSA-N 2 1 327.900 2.296 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666785 1201573908 /nfs/dbraw/zinc/57/39/08/1201573908.db2.gz WSRXDICIMXBYBZ-QYZOEREBSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666785 1201573910 /nfs/dbraw/zinc/57/39/10/1201573910.db2.gz WSRXDICIMXBYBZ-QYZOEREBSA-N 2 1 341.455 2.484 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000883667627 1202107117 /nfs/dbraw/zinc/10/71/17/1202107117.db2.gz ALXRUVDNIDWXOI-UHFFFAOYSA-N 2 1 348.535 2.382 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000886576183 1202526207 /nfs/dbraw/zinc/52/62/07/1202526207.db2.gz ZKDHSZGFVUFHHI-IBGZPJMESA-N 2 1 339.483 2.065 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001276053373 1205753618 /nfs/dbraw/zinc/75/36/18/1205753618.db2.gz WPPVCKMOBGJFFO-MJGOQNOKSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001276053373 1205753619 /nfs/dbraw/zinc/75/36/19/1205753619.db2.gz WPPVCKMOBGJFFO-MJGOQNOKSA-N 2 1 327.472 2.283 10 30 EEEEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858245 1292218393 /nfs/dbraw/zinc/21/83/93/1292218393.db2.gz WBEZMSDDJZXVKT-UHFFFAOYSA-N 2 1 339.483 2.032 10 30 EEEEMP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852865515 1292220893 /nfs/dbraw/zinc/22/08/93/1292220893.db2.gz GBUMYLYOOOATMD-PXNSSMCTSA-N 2 1 339.483 2.159 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001277020479 1300901785 /nfs/dbraw/zinc/90/17/85/1300901785.db2.gz UELODCBFYMGNDH-KRWDZBQOSA-N 2 1 345.874 2.024 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C1CCCC1 ZINC001278251980 1308915988 /nfs/dbraw/zinc/91/59/88/1308915988.db2.gz QRGFLDIINMOWIL-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C1CCCC1 ZINC001278251980 1308915989 /nfs/dbraw/zinc/91/59/89/1308915989.db2.gz QRGFLDIINMOWIL-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001278667680 1317608405 /nfs/dbraw/zinc/60/84/05/1317608405.db2.gz ICNLSFAUNGIVPR-FQEVSTJZSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1C ZINC001264996343 1322844166 /nfs/dbraw/zinc/84/41/66/1322844166.db2.gz GXTMAPPTKRCQKW-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1C ZINC001264996343 1322844169 /nfs/dbraw/zinc/84/41/69/1322844169.db2.gz GXTMAPPTKRCQKW-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1C ZINC001264996343 1322844171 /nfs/dbraw/zinc/84/41/71/1322844171.db2.gz GXTMAPPTKRCQKW-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1C ZINC001264996343 1322844172 /nfs/dbraw/zinc/84/41/72/1322844172.db2.gz GXTMAPPTKRCQKW-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)O2 ZINC001280929260 1324647304 /nfs/dbraw/zinc/64/73/04/1324647304.db2.gz CSMIQKYDOUOEKT-MSOLQXFVSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098049 1324760399 /nfs/dbraw/zinc/76/03/99/1324760399.db2.gz AOAZQBYVDPYQQK-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316644572 1327592377 /nfs/dbraw/zinc/59/23/77/1327592377.db2.gz RYEATEXELHGXNI-OTWHNJEPSA-N 2 1 329.488 2.487 10 30 EEEEMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316644652 1327600520 /nfs/dbraw/zinc/60/05/20/1327600520.db2.gz UFCHJEVWRPVSPW-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316644652 1327600523 /nfs/dbraw/zinc/60/05/23/1327600523.db2.gz UFCHJEVWRPVSPW-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316644652 1327600527 /nfs/dbraw/zinc/60/05/27/1327600527.db2.gz UFCHJEVWRPVSPW-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316645158 1327643604 /nfs/dbraw/zinc/64/36/04/1327643604.db2.gz OBXBKZGWWLESKJ-RBUKOAKNSA-N 2 1 341.499 2.489 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001316796970 1331898754 /nfs/dbraw/zinc/89/87/54/1331898754.db2.gz XVGWRIZKFJFBAB-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001316796970 1331898756 /nfs/dbraw/zinc/89/87/56/1331898756.db2.gz XVGWRIZKFJFBAB-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[C@H](C(=O)NCCC[N@@H+](CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001316917414 1331983757 /nfs/dbraw/zinc/98/37/57/1331983757.db2.gz CWSBJRRNXBZFOK-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180969 1332118127 /nfs/dbraw/zinc/11/81/27/1332118127.db2.gz NRXMDPRHEZVTDG-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317642731 1332344441 /nfs/dbraw/zinc/34/44/41/1332344441.db2.gz KZDKRSRBXRPILA-RTBURBONSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770574 1332403668 /nfs/dbraw/zinc/40/36/68/1332403668.db2.gz SMWTYFSBGPTFEX-HXUWFJFHSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840994 1332427987 /nfs/dbraw/zinc/42/79/87/1332427987.db2.gz YPGSIFUKURXHCH-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317840994 1332427990 /nfs/dbraw/zinc/42/79/90/1332427990.db2.gz YPGSIFUKURXHCH-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317840994 1332427991 /nfs/dbraw/zinc/42/79/91/1332427991.db2.gz YPGSIFUKURXHCH-MJGOQNOKSA-N 2 1 331.504 2.197 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321532610 1333119747 /nfs/dbraw/zinc/11/97/47/1333119747.db2.gz JKPDLAHOLBOJKL-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901864 1333990785 /nfs/dbraw/zinc/99/07/85/1333990785.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901864 1333990787 /nfs/dbraw/zinc/99/07/87/1333990787.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901864 1333990790 /nfs/dbraw/zinc/99/07/90/1333990790.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901866 1333990959 /nfs/dbraw/zinc/99/09/59/1333990959.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901866 1333990962 /nfs/dbraw/zinc/99/09/62/1333990962.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901866 1333990963 /nfs/dbraw/zinc/99/09/63/1333990963.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001326290369 1334061099 /nfs/dbraw/zinc/06/10/99/1334061099.db2.gz OAFZLXIKXMRGHK-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001326290369 1334061101 /nfs/dbraw/zinc/06/11/01/1334061101.db2.gz OAFZLXIKXMRGHK-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098614 1334396141 /nfs/dbraw/zinc/39/61/41/1334396141.db2.gz PDBJRPPIDPQCRW-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001329740496 1334706174 /nfs/dbraw/zinc/70/61/74/1334706174.db2.gz DFVWBNXTPWDHIH-MOPGFXCFSA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001330896621 1334923191 /nfs/dbraw/zinc/92/31/91/1334923191.db2.gz XSUPIAQTOPTLFE-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@@H+](CC[C@@H](O)C(C)C)C1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC001336832067 1336601785 /nfs/dbraw/zinc/60/17/85/1336601785.db2.gz BKEAMWFAJBKGPJ-WOJBJXKFSA-N 2 1 338.536 2.200 10 30 EEEEMP C#CC[N@H+](CC[C@@H](O)C(C)C)C1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC001336832067 1336601787 /nfs/dbraw/zinc/60/17/87/1336601787.db2.gz BKEAMWFAJBKGPJ-WOJBJXKFSA-N 2 1 338.536 2.200 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001667458612 1355745624 /nfs/dbraw/zinc/74/56/24/1355745624.db2.gz MRPIFJJRHYYOAH-MISYRCLQSA-N 2 1 341.499 2.109 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001500292319 1342139068 /nfs/dbraw/zinc/13/90/68/1342139068.db2.gz IBTNOEWLAOMVAH-YJJPMGAVSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001571662669 1343266000 /nfs/dbraw/zinc/26/60/00/1343266000.db2.gz MJMLMKHZYAAWSH-TUNPWDSISA-N 2 1 341.499 2.487 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001676999349 1357259658 /nfs/dbraw/zinc/25/96/58/1357259658.db2.gz TZTGIYCQZJHQII-JKSUJKDBSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001649458983 1353516796 /nfs/dbraw/zinc/51/67/96/1353516796.db2.gz RBINJRNGDFFSRH-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C\CC)CC1 ZINC001656109127 1354202404 /nfs/dbraw/zinc/20/24/04/1354202404.db2.gz FRGXEPQRCZVMLX-LIXSYLKWSA-N 2 1 331.504 2.221 10 30 EEEEMP CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001662827269 1354856375 /nfs/dbraw/zinc/85/63/75/1354856375.db2.gz CCAMGXCJVVZACB-ZWKOTPCHSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001662827269 1354856381 /nfs/dbraw/zinc/85/63/81/1354856381.db2.gz CCAMGXCJVVZACB-ZWKOTPCHSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001662827269 1354856388 /nfs/dbraw/zinc/85/63/88/1354856388.db2.gz CCAMGXCJVVZACB-ZWKOTPCHSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001662827269 1354856393 /nfs/dbraw/zinc/85/63/93/1354856393.db2.gz CCAMGXCJVVZACB-ZWKOTPCHSA-N 2 1 339.524 2.210 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665715379 1355372210 /nfs/dbraw/zinc/37/22/10/1355372210.db2.gz PHYQZWOELAQRSN-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665715379 1355372214 /nfs/dbraw/zinc/37/22/14/1355372214.db2.gz PHYQZWOELAQRSN-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001666927208 1355615736 /nfs/dbraw/zinc/61/57/36/1355615736.db2.gz HNSQGUJYXQTKSN-HKUYNNGSSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001666927208 1355615737 /nfs/dbraw/zinc/61/57/37/1355615737.db2.gz HNSQGUJYXQTKSN-HKUYNNGSSA-N 2 1 331.504 2.411 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337283 1356329479 /nfs/dbraw/zinc/32/94/79/1356329479.db2.gz FLZFXSFEMAHSNN-MOPGFXCFSA-N 2 1 331.504 2.387 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCOCC1 ZINC001671935047 1356441013 /nfs/dbraw/zinc/44/10/13/1356441013.db2.gz SIFHAHULBXUFBU-SFHVURJKSA-N 2 1 349.519 2.225 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001672970253 1356624453 /nfs/dbraw/zinc/62/44/53/1356624453.db2.gz RWHPAMOWKRXZML-SHTZXODSSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001673601025 1356716626 /nfs/dbraw/zinc/71/66/26/1356716626.db2.gz BVKPDRBFBJYRJC-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001673633805 1356720852 /nfs/dbraw/zinc/72/08/52/1356720852.db2.gz LAIASTIQJAJURY-HXUWFJFHSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001673633805 1356720857 /nfs/dbraw/zinc/72/08/57/1356720857.db2.gz LAIASTIQJAJURY-HXUWFJFHSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001673633805 1356720861 /nfs/dbraw/zinc/72/08/61/1356720861.db2.gz LAIASTIQJAJURY-HXUWFJFHSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001673633805 1356720866 /nfs/dbraw/zinc/72/08/66/1356720866.db2.gz LAIASTIQJAJURY-HXUWFJFHSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001674599763 1356862638 /nfs/dbraw/zinc/86/26/38/1356862638.db2.gz PKTFLOLNZNHLFA-KVZIAJEVSA-N 2 1 327.472 2.187 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001675030238 1356926280 /nfs/dbraw/zinc/92/62/80/1356926280.db2.gz FEUZSGJDYWZOKX-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001675030238 1356926281 /nfs/dbraw/zinc/92/62/81/1356926281.db2.gz FEUZSGJDYWZOKX-YJBOKZPZSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001698717142 1405021373 /nfs/dbraw/zinc/02/13/73/1405021373.db2.gz PCXTWTOBJCUJEA-IBGZPJMESA-N 2 1 327.472 2.146 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001698882813 1405126693 /nfs/dbraw/zinc/12/66/93/1405126693.db2.gz JXTBWIAOHDHROL-PKOBYXMFSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCCC)C2)CC1 ZINC001699015484 1405229380 /nfs/dbraw/zinc/22/93/80/1405229380.db2.gz KFORWYUEXWYONC-VQTJNVASSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699383647 1405345915 /nfs/dbraw/zinc/34/59/15/1405345915.db2.gz HTMXMKKJZDNVBN-HUUCEWRRSA-N 2 1 327.432 2.330 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC001699882408 1405549165 /nfs/dbraw/zinc/54/91/65/1405549165.db2.gz KSWQIHOQQFDHDK-UHFFFAOYSA-N 2 1 337.508 2.082 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137868 779946261 /nfs/dbraw/zinc/94/62/61/779946261.db2.gz FRXNAKIGUMWODB-GOSISDBHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921565634 789751691 /nfs/dbraw/zinc/75/16/91/789751691.db2.gz NNYNINULHMNJBI-GOSISDBHSA-N 2 1 348.535 2.093 10 30 EEEEMP C#CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914099938 794873571 /nfs/dbraw/zinc/87/35/71/794873571.db2.gz NUJLVFVBPGRJGI-GOSISDBHSA-N 2 1 348.535 2.238 10 30 EEEEMP N#Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000921981387 798551628 /nfs/dbraw/zinc/55/16/28/798551628.db2.gz TWLKRQLPPBFVMO-KRWDZBQOSA-N 2 1 327.453 2.476 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001566465927 1125625935 /nfs/dbraw/zinc/62/59/35/1125625935.db2.gz JRXKNRVWLSVIRK-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001566465927 1125625939 /nfs/dbraw/zinc/62/59/39/1125625939.db2.gz JRXKNRVWLSVIRK-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001566465927 1125625943 /nfs/dbraw/zinc/62/59/43/1125625943.db2.gz JRXKNRVWLSVIRK-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001437310238 1089468855 /nfs/dbraw/zinc/46/88/55/1089468855.db2.gz JKPGPROMNOQAHN-WMLDXEAASA-N 2 1 345.890 2.390 10 30 EEEEMP C[C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001437380072 1089628327 /nfs/dbraw/zinc/62/83/27/1089628327.db2.gz OHJIQDWICPHQDM-HUUCEWRRSA-N 2 1 348.516 2.479 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001439364265 1092087204 /nfs/dbraw/zinc/08/72/04/1092087204.db2.gz MYCOZYBTFSEWKI-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001439364265 1092087214 /nfs/dbraw/zinc/08/72/14/1092087214.db2.gz MYCOZYBTFSEWKI-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439364265 1092087223 /nfs/dbraw/zinc/08/72/23/1092087223.db2.gz MYCOZYBTFSEWKI-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001439364265 1092087235 /nfs/dbraw/zinc/08/72/35/1092087235.db2.gz MYCOZYBTFSEWKI-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442253751 1096554915 /nfs/dbraw/zinc/55/49/15/1096554915.db2.gz DJNUOJMPASSSNT-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480286197 1099993925 /nfs/dbraw/zinc/99/39/25/1099993925.db2.gz NWASGINTRZKPCP-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001496417642 1101012269 /nfs/dbraw/zinc/01/22/69/1101012269.db2.gz BVDQNGMPVLMHCS-ICSRJNTNSA-N 2 1 349.519 2.036 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001496504170 1101100329 /nfs/dbraw/zinc/10/03/29/1101100329.db2.gz CHHMUGMHZAOIKK-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001496504170 1101100332 /nfs/dbraw/zinc/10/03/32/1101100332.db2.gz CHHMUGMHZAOIKK-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001496504170 1101100336 /nfs/dbraw/zinc/10/03/36/1101100336.db2.gz CHHMUGMHZAOIKK-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC(=C)C)CC1 ZINC001496504628 1101101109 /nfs/dbraw/zinc/10/11/09/1101101109.db2.gz HTPKWLWPFGSASB-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC(=C)C)CC1 ZINC001496504628 1101101114 /nfs/dbraw/zinc/10/11/14/1101101114.db2.gz HTPKWLWPFGSASB-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC(=C)C)CC1 ZINC001496504628 1101101119 /nfs/dbraw/zinc/10/11/19/1101101119.db2.gz HTPKWLWPFGSASB-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC(=C)C)CC1 ZINC001496504628 1101101126 /nfs/dbraw/zinc/10/11/26/1101101126.db2.gz HTPKWLWPFGSASB-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603450 1101204279 /nfs/dbraw/zinc/20/42/79/1101204279.db2.gz ROVQIEJUELNTTR-LPHOPBHVSA-N 2 1 342.487 2.130 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984685 1104629925 /nfs/dbraw/zinc/62/99/25/1104629925.db2.gz JYBNTQBZVBKDJI-OALUTQOASA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001493546153 1108294183 /nfs/dbraw/zinc/29/41/83/1108294183.db2.gz NGAXCSWUTWJRPF-IBGZPJMESA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162046 1112648060 /nfs/dbraw/zinc/64/80/60/1112648060.db2.gz OJUVNJWBJMKJDU-KRWDZBQOSA-N 2 1 327.900 2.395 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500523465 1112916904 /nfs/dbraw/zinc/91/69/04/1112916904.db2.gz XTMOJDZJBRVXNP-RHSMWYFYSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500523465 1112916908 /nfs/dbraw/zinc/91/69/08/1112916908.db2.gz XTMOJDZJBRVXNP-RHSMWYFYSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500523465 1112916914 /nfs/dbraw/zinc/91/69/14/1112916914.db2.gz XTMOJDZJBRVXNP-RHSMWYFYSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500523465 1112916919 /nfs/dbraw/zinc/91/69/19/1112916919.db2.gz XTMOJDZJBRVXNP-RHSMWYFYSA-N 2 1 327.900 2.299 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001506519987 1114669180 /nfs/dbraw/zinc/66/91/80/1114669180.db2.gz ZGDXNANSCRTXHC-QGZVFWFLSA-N 2 1 342.487 2.186 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507161786 1115141953 /nfs/dbraw/zinc/14/19/53/1115141953.db2.gz MPMAEZRLBXVTIT-KBPBESRZSA-N 2 1 346.313 2.206 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390215 1115247279 /nfs/dbraw/zinc/24/72/79/1115247279.db2.gz SWDKLEIYFKBVCV-AZUAARDMSA-N 2 1 341.499 2.059 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568392909 1124462271 /nfs/dbraw/zinc/46/22/71/1124462271.db2.gz ZFYNLMAMZSWBPE-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001568866164 1124891622 /nfs/dbraw/zinc/89/16/22/1124891622.db2.gz QQCHBQXQDONRHJ-JXCVUKRWSA-N 2 1 345.874 2.200 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001568866164 1124891629 /nfs/dbraw/zinc/89/16/29/1124891629.db2.gz QQCHBQXQDONRHJ-JXCVUKRWSA-N 2 1 345.874 2.200 10 30 EEEEMP C[C@H](O)C[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298430 /nfs/dbraw/zinc/29/84/30/465298430.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@H](O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298435 /nfs/dbraw/zinc/29/84/35/465298435.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@H](O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298441 /nfs/dbraw/zinc/29/84/41/465298441.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 2 1 336.520 2.241 10 30 EEEEMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555594 467259131 /nfs/dbraw/zinc/25/91/31/467259131.db2.gz JBOZOJUIAFIYHZ-QZTJIDSGSA-N 2 1 336.520 2.484 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440895 468588632 /nfs/dbraw/zinc/58/86/32/468588632.db2.gz JDFNTOWTIFLPEZ-QZTJIDSGSA-N 2 1 328.460 2.178 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000594440439 468589552 /nfs/dbraw/zinc/58/95/52/468589552.db2.gz CHTKOKPAPBPYLM-SFHVURJKSA-N 2 1 346.450 2.271 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000594440439 468589556 /nfs/dbraw/zinc/58/95/56/468589556.db2.gz CHTKOKPAPBPYLM-SFHVURJKSA-N 2 1 346.450 2.271 10 30 EEEEMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717274 468631915 /nfs/dbraw/zinc/63/19/15/468631915.db2.gz PXHOKWROVUDKLU-MSOLQXFVSA-N 2 1 337.508 2.159 10 30 EEEEMP C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000592788941 468786702 /nfs/dbraw/zinc/78/67/02/468786702.db2.gz PNYLLVCAFGQLQM-SJLPKXTDSA-N 2 1 340.471 2.001 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416150966 526420068 /nfs/dbraw/zinc/42/00/68/526420068.db2.gz NHBYDNVJRKRIDK-UHFFFAOYSA-N 2 1 327.472 2.201 10 30 EEEEMP C[C@]1(CNC(=[NH2+])N2CCSCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162457775 682015971 /nfs/dbraw/zinc/01/59/71/682015971.db2.gz MFIQRTIEMRCBSI-GOSISDBHSA-N 2 1 332.517 2.405 10 30 EEEEMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261980227 682722931 /nfs/dbraw/zinc/72/29/31/682722931.db2.gz OSRANVZDJDOLGY-JBCQCRMPSA-N 2 1 340.515 2.466 10 30 EEEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485812131 1191973073 /nfs/dbraw/zinc/97/30/73/1191973073.db2.gz ULJWTLKOTOEWEM-ICSRJNTNSA-N 2 1 345.531 2.491 10 30 EEEEMP CC[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)CC[N@@H+](C)CC ZINC001691046126 1177064642 /nfs/dbraw/zinc/06/46/42/1177064642.db2.gz HZJWEWSTIGGWPF-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)CC[N@H+](C)CC ZINC001691046126 1177064646 /nfs/dbraw/zinc/06/46/46/1177064646.db2.gz HZJWEWSTIGGWPF-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@H+](CC)CC#Cc1cccc(Cl)c1 ZINC001691046126 1177064654 /nfs/dbraw/zinc/06/46/54/1177064654.db2.gz HZJWEWSTIGGWPF-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC)CC#Cc1cccc(Cl)c1 ZINC001691046126 1177064660 /nfs/dbraw/zinc/06/46/60/1177064660.db2.gz HZJWEWSTIGGWPF-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892483 1177730973 /nfs/dbraw/zinc/73/09/73/1177730973.db2.gz VWDUWLCSLOLKOM-HZPDHXFCSA-N 2 1 331.460 2.426 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691427881 1178314785 /nfs/dbraw/zinc/31/47/85/1178314785.db2.gz GLXFZYXQGNMJPC-BHIYHBOVSA-N 2 1 331.504 2.101 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267182012 1178441381 /nfs/dbraw/zinc/44/13/81/1178441381.db2.gz SGOKTHVRPUCDMJ-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001270024391 1184792133 /nfs/dbraw/zinc/79/21/33/1184792133.db2.gz CMNGACNTLXASQM-GPMSIDNRSA-N 2 1 337.483 2.239 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346082 1185035091 /nfs/dbraw/zinc/03/50/91/1185035091.db2.gz YMQPGDRGXCEIPT-LMDPOFIKSA-N 2 1 345.531 2.301 10 30 EEEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001270907234 1185722870 /nfs/dbraw/zinc/72/28/70/1185722870.db2.gz YFFPBEQKEIDMNG-MRXNPFEDSA-N 2 1 330.476 2.158 10 30 EEEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001271900331 1186596557 /nfs/dbraw/zinc/59/65/57/1186596557.db2.gz HSNMGIFYOCFHBB-FUHWJXTLSA-N 2 1 332.492 2.451 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001482623574 1187448833 /nfs/dbraw/zinc/44/88/33/1187448833.db2.gz YUVBPADGRXKZET-LPHOPBHVSA-N 2 1 342.487 2.179 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001482623574 1187448836 /nfs/dbraw/zinc/44/88/36/1187448836.db2.gz YUVBPADGRXKZET-LPHOPBHVSA-N 2 1 342.487 2.179 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001482623574 1187448839 /nfs/dbraw/zinc/44/88/39/1187448839.db2.gz YUVBPADGRXKZET-LPHOPBHVSA-N 2 1 342.487 2.179 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001670854816 1187507653 /nfs/dbraw/zinc/50/76/53/1187507653.db2.gz KUWAQWXSMDXBQD-GDBMZVCRSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001483443393 1190482358 /nfs/dbraw/zinc/48/23/58/1190482358.db2.gz QADLBUYYBDTYIY-IRXDYDNUSA-N 2 1 330.476 2.294 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001483951053 1191129249 /nfs/dbraw/zinc/12/92/49/1191129249.db2.gz WUMRBOGGIJIHJO-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483986857 1191143287 /nfs/dbraw/zinc/14/32/87/1191143287.db2.gz UULGOTSXGKGDKW-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)CO2 ZINC001484802110 1191524385 /nfs/dbraw/zinc/52/43/85/1191524385.db2.gz MYMZRGJFVUAACA-GOSISDBHSA-N 2 1 349.519 2.033 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001484977230 1191604594 /nfs/dbraw/zinc/60/45/94/1191604594.db2.gz QOKSXXDHMKYZFQ-VQIMIIECSA-N 2 1 345.462 2.098 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001485030823 1191621131 /nfs/dbraw/zinc/62/11/31/1191621131.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 1 328.460 2.097 10 30 EEEEMP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001485030823 1191621132 /nfs/dbraw/zinc/62/11/32/1191621132.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 1 328.460 2.097 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272968231 1194277280 /nfs/dbraw/zinc/27/72/80/1194277280.db2.gz YJCXLAYEYUXBJZ-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273018786 1194324905 /nfs/dbraw/zinc/32/49/05/1194324905.db2.gz OSBGXQBEWLUUAA-CABCVRRESA-N 2 1 346.450 2.024 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204491 1197516464 /nfs/dbraw/zinc/51/64/64/1197516464.db2.gz LJUYIGFRAJPBBR-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C(C)C ZINC000875087455 1199133113 /nfs/dbraw/zinc/13/31/13/1199133113.db2.gz MMLIEPPNKDPSCH-GUDVDZBRSA-N 2 1 348.535 2.421 10 30 EEEEMP C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362562 1202497316 /nfs/dbraw/zinc/49/73/16/1202497316.db2.gz CLVZJCPPJONQAD-QWFCFKBJSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000886362562 1202497317 /nfs/dbraw/zinc/49/73/17/1202497317.db2.gz CLVZJCPPJONQAD-QWFCFKBJSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000886362562 1202497318 /nfs/dbraw/zinc/49/73/18/1202497318.db2.gz CLVZJCPPJONQAD-QWFCFKBJSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362559 1202497325 /nfs/dbraw/zinc/49/73/25/1202497325.db2.gz CLVZJCPPJONQAD-GGPKGHCWSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000886362559 1202497326 /nfs/dbraw/zinc/49/73/26/1202497326.db2.gz CLVZJCPPJONQAD-GGPKGHCWSA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000886362559 1202497327 /nfs/dbraw/zinc/49/73/27/1202497327.db2.gz CLVZJCPPJONQAD-GGPKGHCWSA-N 2 1 339.483 2.111 10 30 EEEEMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000931479753 1207391992 /nfs/dbraw/zinc/39/19/92/1207391992.db2.gz AWGAYTQSWHQYLJ-UHFFFAOYSA-N 2 1 341.377 2.466 10 30 EEEEMP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902725846 1238325099 /nfs/dbraw/zinc/32/50/99/1238325099.db2.gz GUEQFTFRWXWTPA-SFHVURJKSA-N 2 1 349.482 2.422 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001491351237 1258991944 /nfs/dbraw/zinc/99/19/44/1258991944.db2.gz BRIXVKBEJUKSLZ-TVPLGVNVSA-N 2 1 331.504 2.434 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267891530 1276774752 /nfs/dbraw/zinc/77/47/52/1276774752.db2.gz QRPKQUCFZSCSJJ-RBUKOAKNSA-N 2 1 333.520 2.350 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001273783036 1285663104 /nfs/dbraw/zinc/66/31/04/1285663104.db2.gz SUBMRAKJQMKRIK-QGZVFWFLSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001489347676 1290532098 /nfs/dbraw/zinc/53/20/98/1290532098.db2.gz PGUSVEDNOUUVIE-KRWDZBQOSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001489347676 1290532106 /nfs/dbraw/zinc/53/21/06/1290532106.db2.gz PGUSVEDNOUUVIE-KRWDZBQOSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001490673697 1291558123 /nfs/dbraw/zinc/55/81/23/1291558123.db2.gz HZVHOLYYMFHHJX-MOPGFXCFSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001490673697 1291558130 /nfs/dbraw/zinc/55/81/30/1291558130.db2.gz HZVHOLYYMFHHJX-MOPGFXCFSA-N 2 1 331.504 2.149 10 30 EEEEMP C[N@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869644 1292221986 /nfs/dbraw/zinc/22/19/86/1292221986.db2.gz DBTWSEBKGXNRMN-QFBILLFUSA-N 2 1 345.512 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001276803262 1297960549 /nfs/dbraw/zinc/96/05/49/1297960549.db2.gz YHWHQTQVGYZWSD-AEFFLSMTSA-N 2 1 348.491 2.143 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001277080900 1301189503 /nfs/dbraw/zinc/18/95/03/1301189503.db2.gz ZFSNCBFTNCDVNO-SMTIMMHKSA-N 2 1 337.467 2.036 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001277080900 1301189507 /nfs/dbraw/zinc/18/95/07/1301189507.db2.gz ZFSNCBFTNCDVNO-SMTIMMHKSA-N 2 1 337.467 2.036 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001278498468 1310828926 /nfs/dbraw/zinc/82/89/26/1310828926.db2.gz LFGKUYVDUVWCOU-WIYYLYMNSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000841397717 1315546129 /nfs/dbraw/zinc/54/61/29/1315546129.db2.gz OFVSVYTYHIZTKM-UHFFFAOYSA-N 2 1 339.483 2.039 10 30 EEEEMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432115 1315913969 /nfs/dbraw/zinc/91/39/69/1315913969.db2.gz QVIGUXRJZLUCLD-MRXNPFEDSA-N 2 1 329.444 2.274 10 30 EEEEMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432115 1315913972 /nfs/dbraw/zinc/91/39/72/1315913972.db2.gz QVIGUXRJZLUCLD-MRXNPFEDSA-N 2 1 329.444 2.274 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278702629 1317794014 /nfs/dbraw/zinc/79/40/14/1317794014.db2.gz AUESPYUASVJFAO-UONOGXRCSA-N 2 1 335.414 2.131 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001264125255 1322635134 /nfs/dbraw/zinc/63/51/34/1322635134.db2.gz GFICGELGJVTOJE-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266054527 1323606270 /nfs/dbraw/zinc/60/62/70/1323606270.db2.gz VCNQSGFCDWUDJV-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266054527 1323606276 /nfs/dbraw/zinc/60/62/76/1323606276.db2.gz VCNQSGFCDWUDJV-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CC[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266054527 1323606290 /nfs/dbraw/zinc/60/62/90/1323606290.db2.gz VCNQSGFCDWUDJV-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001281016121 1324718844 /nfs/dbraw/zinc/71/88/44/1324718844.db2.gz IIIJHZANIVKUNJ-SFHVURJKSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001281016121 1324718850 /nfs/dbraw/zinc/71/88/50/1324718850.db2.gz IIIJHZANIVKUNJ-SFHVURJKSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282653097 1325757341 /nfs/dbraw/zinc/75/73/41/1325757341.db2.gz GATCXEOBBWMCRX-QGZVFWFLSA-N 2 1 339.443 2.169 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001284148078 1326435377 /nfs/dbraw/zinc/43/53/77/1326435377.db2.gz DWQCCFVCOKAYSY-OALUTQOASA-N 2 1 329.488 2.364 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001492043948 1330417493 /nfs/dbraw/zinc/41/74/93/1330417493.db2.gz RHAHVEYGZZNFQP-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001492037612 1330461264 /nfs/dbraw/zinc/46/12/64/1330461264.db2.gz VQCKQLKUFSPDLH-MJGOQNOKSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001492037612 1330461259 /nfs/dbraw/zinc/46/12/59/1330461259.db2.gz VQCKQLKUFSPDLH-MJGOQNOKSA-N 2 1 331.504 2.459 10 30 EEEEMP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001316933382 1331999348 /nfs/dbraw/zinc/99/93/48/1331999348.db2.gz JNCNZRJQKSKDLM-MOPGFXCFSA-N 2 1 349.519 2.129 10 30 EEEEMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317842331 1332428425 /nfs/dbraw/zinc/42/84/25/1332428425.db2.gz OYLOHYPEYMVQRG-VQTJNVASSA-N 2 1 341.499 2.159 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001318804637 1332601084 /nfs/dbraw/zinc/60/10/84/1332601084.db2.gz KUWGAKRLECGXBK-RBUKOAKNSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001326540539 1334112296 /nfs/dbraw/zinc/11/22/96/1334112296.db2.gz BZOIHOYBNGEJJQ-GUDVDZBRSA-N 2 1 333.520 2.396 10 30 EEEEMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001326668404 1334138678 /nfs/dbraw/zinc/13/86/78/1334138678.db2.gz UPFVNTAWPHDVGZ-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001326668404 1334138680 /nfs/dbraw/zinc/13/86/80/1334138680.db2.gz UPFVNTAWPHDVGZ-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001327148203 1334234630 /nfs/dbraw/zinc/23/46/30/1334234630.db2.gz QZUDQFNDIKECLM-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797469 1334523295 /nfs/dbraw/zinc/52/32/95/1334523295.db2.gz NTZBUWMEMNSXBB-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001330308921 1334820948 /nfs/dbraw/zinc/82/09/48/1334820948.db2.gz JQFNVDRJUCXWHP-NNZMDNLPSA-N 2 1 331.504 2.123 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458539 1335828419 /nfs/dbraw/zinc/82/84/19/1335828419.db2.gz HWSAISIGOAPRMZ-UKRRQHHQSA-N 2 1 347.425 2.273 10 30 EEEEMP C#CC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000848236791 1338602276 /nfs/dbraw/zinc/60/22/76/1338602276.db2.gz KIUTZSWNZGARQO-SFHVURJKSA-N 2 1 345.531 2.445 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059494 1342688679 /nfs/dbraw/zinc/68/86/79/1342688679.db2.gz OQCBTOUWWIZUQE-QUCCMNQESA-N 2 1 341.499 2.395 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676888997 1357233910 /nfs/dbraw/zinc/23/39/10/1357233910.db2.gz XMNJQNOJCJSLRC-FUHWJXTLSA-N 2 1 337.508 2.033 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001663103466 1354914534 /nfs/dbraw/zinc/91/45/34/1354914534.db2.gz BMYWDNJCIVQQOB-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664599921 1355198063 /nfs/dbraw/zinc/19/80/63/1355198063.db2.gz WHEIXJWBSIHOSP-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001666291020 1355504099 /nfs/dbraw/zinc/50/40/99/1355504099.db2.gz MASQTNXDDREYLM-ZHALLVOQSA-N 2 1 331.504 2.434 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059194 1355858749 /nfs/dbraw/zinc/85/87/49/1355858749.db2.gz BSURSCDBZAHGLE-VQIMIIECSA-N 2 1 342.487 2.415 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001669328929 1356145654 /nfs/dbraw/zinc/14/56/54/1356145654.db2.gz UCOCNHOWIBXVDC-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001669443574 1356160778 /nfs/dbraw/zinc/16/07/78/1356160778.db2.gz JNLOVEUDGZTJMQ-OAHLLOKOSA-N 2 1 335.879 2.128 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001671491464 1356349261 /nfs/dbraw/zinc/34/92/61/1356349261.db2.gz BUUKSFIVXAKKGI-KRWDZBQOSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001672348137 1356506362 /nfs/dbraw/zinc/50/63/62/1356506362.db2.gz JEBYADVVHGHZCE-YYIAUSFCSA-N 2 1 325.472 2.212 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001675707641 1357041213 /nfs/dbraw/zinc/04/12/13/1357041213.db2.gz LSPIUQYZJHWNNM-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001692128548 1404989261 /nfs/dbraw/zinc/98/92/61/1404989261.db2.gz JCLBTAFQUAOBHR-FQEVSTJZSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001699578453 1405403465 /nfs/dbraw/zinc/40/34/65/1405403465.db2.gz MKXXFFHZJIYKAU-PMACEKPBSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001699578453 1405403468 /nfs/dbraw/zinc/40/34/68/1405403468.db2.gz MKXXFFHZJIYKAU-PMACEKPBSA-N 2 1 343.515 2.459 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001699758880 1405469495 /nfs/dbraw/zinc/46/94/95/1405469495.db2.gz OVBNPJZVIYEBAH-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699871741 1405538890 /nfs/dbraw/zinc/53/88/90/1405538890.db2.gz DTLGKEBFFMFEBC-HXUWFJFHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075220 779795230 /nfs/dbraw/zinc/79/52/30/779795230.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075220 779795234 /nfs/dbraw/zinc/79/52/34/779795234.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075220 779795236 /nfs/dbraw/zinc/79/52/36/779795236.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 2 1 333.520 2.489 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000793767970 810504245 /nfs/dbraw/zinc/50/42/45/810504245.db2.gz PJPXGAJEOZVEMH-LJQANCHMSA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000793767970 810504251 /nfs/dbraw/zinc/50/42/51/810504251.db2.gz PJPXGAJEOZVEMH-LJQANCHMSA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000793767970 810504256 /nfs/dbraw/zinc/50/42/56/810504256.db2.gz PJPXGAJEOZVEMH-LJQANCHMSA-N 2 1 336.443 2.110 10 30 EEEEMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000793767970 810504262 /nfs/dbraw/zinc/50/42/62/810504262.db2.gz PJPXGAJEOZVEMH-LJQANCHMSA-N 2 1 336.443 2.110 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001565972346 1125478141 /nfs/dbraw/zinc/47/81/41/1125478141.db2.gz AGFKYXNYCREKOR-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001436965942 1088657029 /nfs/dbraw/zinc/65/70/29/1088657029.db2.gz KOOJQWHRLORSAB-HDICACEKSA-N 2 1 342.487 2.273 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214492 1089293981 /nfs/dbraw/zinc/29/39/81/1089293981.db2.gz LMWCPMYKFUEAML-WMLDXEAASA-N 2 1 348.516 2.477 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001445759346 1091604264 /nfs/dbraw/zinc/60/42/64/1091604264.db2.gz VYYGRISGSXYZKZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001445759346 1091604270 /nfs/dbraw/zinc/60/42/70/1091604270.db2.gz VYYGRISGSXYZKZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445759346 1091604273 /nfs/dbraw/zinc/60/42/73/1091604273.db2.gz VYYGRISGSXYZKZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445759346 1091604279 /nfs/dbraw/zinc/60/42/79/1091604279.db2.gz VYYGRISGSXYZKZ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001439244777 1091894611 /nfs/dbraw/zinc/89/46/11/1091894611.db2.gz RRELVKAYNMEOJN-KBPBESRZSA-N 2 1 346.313 2.111 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636284 /nfs/dbraw/zinc/63/62/84/1098636284.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636288 /nfs/dbraw/zinc/63/62/88/1098636288.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636297 /nfs/dbraw/zinc/63/62/97/1098636297.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 2 1 333.520 2.347 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001479772745 1098945076 /nfs/dbraw/zinc/94/50/76/1098945076.db2.gz WLYACLFANHZRFH-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1C#N ZINC001479772745 1098945082 /nfs/dbraw/zinc/94/50/82/1098945082.db2.gz WLYACLFANHZRFH-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001479772745 1098945091 /nfs/dbraw/zinc/94/50/91/1098945091.db2.gz WLYACLFANHZRFH-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001496640461 1101245058 /nfs/dbraw/zinc/24/50/58/1101245058.db2.gz BKWOBYCQICYCSH-GOSISDBHSA-N 2 1 348.466 2.268 10 30 EEEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001495914277 1101757151 /nfs/dbraw/zinc/75/71/51/1101757151.db2.gz DNYDUUZRPKJUER-QGZVFWFLSA-N 2 1 331.504 2.293 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001494022271 1103370052 /nfs/dbraw/zinc/37/00/52/1103370052.db2.gz RLHDGKWJMFMOMA-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001494022271 1103370065 /nfs/dbraw/zinc/37/00/65/1103370065.db2.gz RLHDGKWJMFMOMA-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001494022271 1103370089 /nfs/dbraw/zinc/37/00/89/1103370089.db2.gz RLHDGKWJMFMOMA-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001494022271 1103370100 /nfs/dbraw/zinc/37/01/00/1103370100.db2.gz RLHDGKWJMFMOMA-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708530 1106927724 /nfs/dbraw/zinc/92/77/24/1106927724.db2.gz GXVOIUOMNUEYTJ-HUUCEWRRSA-N 2 1 348.516 2.477 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730827 1106993534 /nfs/dbraw/zinc/99/35/34/1106993534.db2.gz MHDBCMYHEGPNJE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480730827 1106993545 /nfs/dbraw/zinc/99/35/45/1106993545.db2.gz MHDBCMYHEGPNJE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480730827 1106993553 /nfs/dbraw/zinc/99/35/53/1106993553.db2.gz MHDBCMYHEGPNJE-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001480813526 1107164318 /nfs/dbraw/zinc/16/43/18/1107164318.db2.gz ICZNPFXCZWTFFB-QUCCMNQESA-N 2 1 341.499 2.397 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001493569246 1108332235 /nfs/dbraw/zinc/33/22/35/1108332235.db2.gz IYHQDOFIUWGPMD-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493599676 1108383247 /nfs/dbraw/zinc/38/32/47/1108383247.db2.gz GMKRUFJCVZHSTJ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001499477500 1112307291 /nfs/dbraw/zinc/30/72/91/1112307291.db2.gz DKSZBHCBNUWHPV-SFHVURJKSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001500096332 1112615126 /nfs/dbraw/zinc/61/51/26/1112615126.db2.gz FYLMIXCYYOBFDV-RBUKOAKNSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001500131889 1112631692 /nfs/dbraw/zinc/63/16/92/1112631692.db2.gz UWRUCMUIWYQOFE-OALUTQOASA-N 2 1 327.472 2.187 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500616608 1112979206 /nfs/dbraw/zinc/97/92/06/1112979206.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500616608 1112979209 /nfs/dbraw/zinc/97/92/09/1112979209.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500616608 1112979212 /nfs/dbraw/zinc/97/92/12/1112979212.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505430856 1113964558 /nfs/dbraw/zinc/96/45/58/1113964558.db2.gz KZLPHUGDVPMNLU-HRCADAONSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505430856 1113964560 /nfs/dbraw/zinc/96/45/60/1113964560.db2.gz KZLPHUGDVPMNLU-HRCADAONSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001505430856 1113964561 /nfs/dbraw/zinc/96/45/61/1113964561.db2.gz KZLPHUGDVPMNLU-HRCADAONSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001505430856 1113964562 /nfs/dbraw/zinc/96/45/62/1113964562.db2.gz KZLPHUGDVPMNLU-HRCADAONSA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001506384965 1114588740 /nfs/dbraw/zinc/58/87/40/1114588740.db2.gz FWAQNZRRSJEXNT-OAHLLOKOSA-N 2 1 326.872 2.407 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722355 1114832022 /nfs/dbraw/zinc/83/20/22/1114832022.db2.gz OSKMABXKKVXTBI-HKUYNNGSSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001507012654 1115053396 /nfs/dbraw/zinc/05/33/96/1115053396.db2.gz UISHWWXBCZBRQB-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001507012654 1115053397 /nfs/dbraw/zinc/05/33/97/1115053397.db2.gz UISHWWXBCZBRQB-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001507328934 1115195295 /nfs/dbraw/zinc/19/52/95/1115195295.db2.gz YJSVKKKBALNQLV-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP CC#CC[NH2+][C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390219 1115247164 /nfs/dbraw/zinc/24/71/64/1115247164.db2.gz SWDKLEIYFKBVCV-QUCCMNQESA-N 2 1 341.499 2.059 10 30 EEEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001508135399 1115425327 /nfs/dbraw/zinc/42/53/27/1115425327.db2.gz HKCMKEPOEULVNM-UHFFFAOYSA-N 2 1 346.475 2.429 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001569061395 1125071910 /nfs/dbraw/zinc/07/19/10/1125071910.db2.gz BILZFDXETZPQBE-KYNGSXCRSA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001569061395 1125071918 /nfs/dbraw/zinc/07/19/18/1125071918.db2.gz BILZFDXETZPQBE-KYNGSXCRSA-N 2 1 343.446 2.005 10 30 EEEEMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261953668 682623078 /nfs/dbraw/zinc/62/30/78/682623078.db2.gz IDWNSMORKDEDNO-UONOGXRCSA-N 2 1 335.496 2.366 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001690996696 1176436264 /nfs/dbraw/zinc/43/62/64/1176436264.db2.gz PUDCKRUWJXVUHY-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001690996696 1176436269 /nfs/dbraw/zinc/43/62/69/1176436269.db2.gz PUDCKRUWJXVUHY-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(F)c(F)c1 ZINC001266394534 1176468393 /nfs/dbraw/zinc/46/83/93/1176468393.db2.gz SPAXDEQAXWJALO-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC001266394534 1176468396 /nfs/dbraw/zinc/46/83/96/1176468396.db2.gz SPAXDEQAXWJALO-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(F)c(F)c1 ZINC001266394534 1176468400 /nfs/dbraw/zinc/46/84/00/1176468400.db2.gz SPAXDEQAXWJALO-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(F)c(F)c1 ZINC001266394534 1176468403 /nfs/dbraw/zinc/46/84/03/1176468403.db2.gz SPAXDEQAXWJALO-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266787003 1177427955 /nfs/dbraw/zinc/42/79/55/1177427955.db2.gz RGAOUTTYZPABBA-RTBURBONSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855998 1177582101 /nfs/dbraw/zinc/58/21/01/1177582101.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855998 1177582105 /nfs/dbraw/zinc/58/21/05/1177582105.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855998 1177582111 /nfs/dbraw/zinc/58/21/11/1177582111.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001267936973 1180790031 /nfs/dbraw/zinc/79/00/31/1180790031.db2.gz WAASLBNZXQSRBC-QFBILLFUSA-N 2 1 345.487 2.078 10 30 EEEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001267936973 1180790036 /nfs/dbraw/zinc/79/00/36/1180790036.db2.gz WAASLBNZXQSRBC-QFBILLFUSA-N 2 1 345.487 2.078 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406443 1181237811 /nfs/dbraw/zinc/23/78/11/1181237811.db2.gz SLXJXBQRBZKTCP-SJLPKXTDSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406443 1181237816 /nfs/dbraw/zinc/23/78/16/1181237816.db2.gz SLXJXBQRBZKTCP-SJLPKXTDSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001268068855 1181665678 /nfs/dbraw/zinc/66/56/78/1181665678.db2.gz PDICEBYJEWVQRI-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001268068855 1181665682 /nfs/dbraw/zinc/66/56/82/1181665682.db2.gz PDICEBYJEWVQRI-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)CCc2ccccc2)C1 ZINC001481741017 1182469039 /nfs/dbraw/zinc/46/90/39/1182469039.db2.gz HSFSDLWHBYOXBL-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001481741017 1182469042 /nfs/dbraw/zinc/46/90/42/1182469042.db2.gz HSFSDLWHBYOXBL-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001481741017 1182469048 /nfs/dbraw/zinc/46/90/48/1182469048.db2.gz HSFSDLWHBYOXBL-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001481741017 1182469054 /nfs/dbraw/zinc/46/90/54/1182469054.db2.gz HSFSDLWHBYOXBL-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001481741017 1182469056 /nfs/dbraw/zinc/46/90/56/1182469056.db2.gz HSFSDLWHBYOXBL-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001268734062 1183651666 /nfs/dbraw/zinc/65/16/66/1183651666.db2.gz QVMGKCLUURIIOX-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001268734062 1183651674 /nfs/dbraw/zinc/65/16/74/1183651674.db2.gz QVMGKCLUURIIOX-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001268734062 1183651688 /nfs/dbraw/zinc/65/16/88/1183651688.db2.gz QVMGKCLUURIIOX-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCC1CCCC1 ZINC001268734062 1183651705 /nfs/dbraw/zinc/65/17/05/1183651705.db2.gz QVMGKCLUURIIOX-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCC1CCCC1 ZINC001268734062 1183651718 /nfs/dbraw/zinc/65/17/18/1183651718.db2.gz QVMGKCLUURIIOX-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741812 1183663811 /nfs/dbraw/zinc/66/38/11/1183663811.db2.gz YPPAONKZBXXKME-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741812 1183663813 /nfs/dbraw/zinc/66/38/13/1183663813.db2.gz YPPAONKZBXXKME-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268741812 1183663815 /nfs/dbraw/zinc/66/38/15/1183663815.db2.gz YPPAONKZBXXKME-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268741812 1183663818 /nfs/dbraw/zinc/66/38/18/1183663818.db2.gz YPPAONKZBXXKME-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001271335461 1186146457 /nfs/dbraw/zinc/14/64/57/1186146457.db2.gz VICKCUANOXXTAW-GBESFXJTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001271778798 1186479204 /nfs/dbraw/zinc/47/92/04/1186479204.db2.gz NNCMABLJFCDXBQ-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001271900330 1186596276 /nfs/dbraw/zinc/59/62/76/1186596276.db2.gz HSNMGIFYOCFHBB-AEFFLSMTSA-N 2 1 332.492 2.451 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001272770603 1193490245 /nfs/dbraw/zinc/49/02/45/1193490245.db2.gz WMCULYVPNABMIO-JCNLHEQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482888320 1187814991 /nfs/dbraw/zinc/81/49/91/1187814991.db2.gz IUDPFUPAGCRGME-LSDHHAIUSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691570534 1188271045 /nfs/dbraw/zinc/27/10/45/1188271045.db2.gz ISOVPQSCTBJEDN-KSZLIROESA-N 2 1 333.520 2.463 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001486135859 1193691630 /nfs/dbraw/zinc/69/16/30/1193691630.db2.gz RJCLNMFWFJRHQG-APWZRJJASA-N 2 1 345.462 2.096 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678442 1190737995 /nfs/dbraw/zinc/73/79/95/1190737995.db2.gz AIJOJNSUEYNFJS-RBUKOAKNSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678442 1190737997 /nfs/dbraw/zinc/73/79/97/1190737997.db2.gz AIJOJNSUEYNFJS-RBUKOAKNSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272320522 1190759873 /nfs/dbraw/zinc/75/98/73/1190759873.db2.gz BALCYWBEUFMRIT-MAUKXSAKSA-N 2 1 339.443 2.332 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356288 1191316547 /nfs/dbraw/zinc/31/65/47/1191316547.db2.gz BYMKXGXNWWGGST-AZUAARDMSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001484728310 1191487175 /nfs/dbraw/zinc/48/71/75/1191487175.db2.gz LZXAZHJPYIEZML-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001484728310 1191487177 /nfs/dbraw/zinc/48/71/77/1191487177.db2.gz LZXAZHJPYIEZML-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001484864679 1191555170 /nfs/dbraw/zinc/55/51/70/1191555170.db2.gz KSPXZCJQRHFMJL-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485483846 1191800171 /nfs/dbraw/zinc/80/01/71/1191800171.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485483846 1191800173 /nfs/dbraw/zinc/80/01/73/1191800173.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485483846 1191800174 /nfs/dbraw/zinc/80/01/74/1191800174.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485483846 1191800176 /nfs/dbraw/zinc/80/01/76/1191800176.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485483846 1191800178 /nfs/dbraw/zinc/80/01/78/1191800178.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019245 1194326432 /nfs/dbraw/zinc/32/64/32/1194326432.db2.gz TYHBXOBYEMDAHR-CABCVRRESA-N 2 1 346.450 2.024 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001410844365 1198494255 /nfs/dbraw/zinc/49/42/55/1198494255.db2.gz JDWSPXYKQICAOI-KBXCAEBGSA-N 2 1 346.450 2.117 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108684 1198800886 /nfs/dbraw/zinc/80/08/86/1198800886.db2.gz UOZQNILZJQKXTM-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108684 1198800888 /nfs/dbraw/zinc/80/08/88/1198800888.db2.gz UOZQNILZJQKXTM-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001275617731 1205446187 /nfs/dbraw/zinc/44/61/87/1205446187.db2.gz UQJGXKRNTMUCBT-VIQWUECVSA-N 2 1 333.520 2.491 10 30 EEEEMP N#CC1(CCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCOCC1 ZINC001413066677 1230669397 /nfs/dbraw/zinc/66/93/97/1230669397.db2.gz YLUVSXJKZNAPPV-UHFFFAOYSA-N 2 1 335.492 2.320 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279545 1291107102 /nfs/dbraw/zinc/10/71/02/1291107102.db2.gz JHQZLNXFTKOWBP-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490279545 1291107110 /nfs/dbraw/zinc/10/71/10/1291107110.db2.gz JHQZLNXFTKOWBP-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490279545 1291107117 /nfs/dbraw/zinc/10/71/17/1291107117.db2.gz JHQZLNXFTKOWBP-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCC[C@H](O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590549 1293574864 /nfs/dbraw/zinc/57/48/64/1293574864.db2.gz WHSBTSLNYKSLJX-PKOBYXMFSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590549 1293574871 /nfs/dbraw/zinc/57/48/71/1293574871.db2.gz WHSBTSLNYKSLJX-PKOBYXMFSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590549 1293574878 /nfs/dbraw/zinc/57/48/78/1293574878.db2.gz WHSBTSLNYKSLJX-PKOBYXMFSA-N 2 1 333.476 2.314 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001277435771 1303003475 /nfs/dbraw/zinc/00/34/75/1303003475.db2.gz VNUGNQVPWSNDHM-UHFFFAOYSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[N@@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001277435771 1303003481 /nfs/dbraw/zinc/00/34/81/1303003481.db2.gz VNUGNQVPWSNDHM-UHFFFAOYSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001277435771 1303003487 /nfs/dbraw/zinc/00/34/87/1303003487.db2.gz VNUGNQVPWSNDHM-UHFFFAOYSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466006 1310429666 /nfs/dbraw/zinc/42/96/66/1310429666.db2.gz FCTOESRETJZBAJ-CMKODMSKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466006 1310429671 /nfs/dbraw/zinc/42/96/71/1310429671.db2.gz FCTOESRETJZBAJ-CMKODMSKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550773 1317216499 /nfs/dbraw/zinc/21/64/99/1317216499.db2.gz ZBQIUOOONIKKCY-QZTJIDSGSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278702630 1317794066 /nfs/dbraw/zinc/79/40/66/1317794066.db2.gz AUESPYUASVJFAO-ZIAGYGMSSA-N 2 1 335.414 2.131 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001262970680 1322410650 /nfs/dbraw/zinc/41/06/50/1322410650.db2.gz PLEMRSMANAXJFX-IAGOWNOFSA-N 2 1 346.523 2.194 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264091921 1322616171 /nfs/dbraw/zinc/61/61/71/1322616171.db2.gz JKQYTNXCNLRRLC-NXHRZFHOSA-N 2 1 330.476 2.327 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264091921 1322616177 /nfs/dbraw/zinc/61/61/77/1322616177.db2.gz JKQYTNXCNLRRLC-NXHRZFHOSA-N 2 1 330.476 2.327 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001264189576 1322656463 /nfs/dbraw/zinc/65/64/63/1322656463.db2.gz BGOCSNCOLRNPKS-CQSZACIVSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001264189576 1322656468 /nfs/dbraw/zinc/65/64/68/1322656468.db2.gz BGOCSNCOLRNPKS-CQSZACIVSA-N 2 1 348.516 2.178 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001265327527 1323076034 /nfs/dbraw/zinc/07/60/34/1323076034.db2.gz ISMZSVWVNSWOFG-DLBZAZTESA-N 2 1 342.487 2.391 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206048288 1323378697 /nfs/dbraw/zinc/37/86/97/1323378697.db2.gz QLVFJEZMSAQENG-CQSZACIVSA-N 2 1 345.434 2.176 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206048288 1323378700 /nfs/dbraw/zinc/37/87/00/1323378700.db2.gz QLVFJEZMSAQENG-CQSZACIVSA-N 2 1 345.434 2.176 10 30 EEEEMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001279653359 1323970495 /nfs/dbraw/zinc/97/04/95/1323970495.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 2 1 349.519 2.200 10 30 EEEEMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001279653359 1323970501 /nfs/dbraw/zinc/97/05/01/1323970501.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 2 1 349.519 2.200 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001279653359 1323970504 /nfs/dbraw/zinc/97/05/04/1323970504.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 2 1 349.519 2.200 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1CC ZINC001281722534 1325413557 /nfs/dbraw/zinc/41/35/57/1325413557.db2.gz YWSWMWSJJXPOHN-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1CC ZINC001281722534 1325413565 /nfs/dbraw/zinc/41/35/65/1325413565.db2.gz YWSWMWSJJXPOHN-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494806 1325732211 /nfs/dbraw/zinc/73/22/11/1325732211.db2.gz QJHIDWTYHBXQRM-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494806 1325732215 /nfs/dbraw/zinc/73/22/15/1325732215.db2.gz QJHIDWTYHBXQRM-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282494806 1325732217 /nfs/dbraw/zinc/73/22/17/1325732217.db2.gz QJHIDWTYHBXQRM-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282494806 1325732219 /nfs/dbraw/zinc/73/22/19/1325732219.db2.gz QJHIDWTYHBXQRM-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001282993174 1325871808 /nfs/dbraw/zinc/87/18/08/1325871808.db2.gz VOMRJAAGAYXQKR-KDURUIRLSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001282993174 1325871810 /nfs/dbraw/zinc/87/18/10/1325871810.db2.gz VOMRJAAGAYXQKR-KDURUIRLSA-N 2 1 330.476 2.328 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630377 1326170923 /nfs/dbraw/zinc/17/09/23/1326170923.db2.gz CTNFIMCKYPTPSZ-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072696 1326393857 /nfs/dbraw/zinc/39/38/57/1326393857.db2.gz UDBSWBLCQZKOKR-AZUAARDMSA-N 2 1 331.504 2.389 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCC=C)C2)CC1 ZINC001317383760 1332208937 /nfs/dbraw/zinc/20/89/37/1332208937.db2.gz HEFYGWDCQMPPMX-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001318983909 1332632669 /nfs/dbraw/zinc/63/26/69/1332632669.db2.gz PJDQUXZEGBIIBH-KZNAEPCWSA-N 2 1 337.508 2.080 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320733732 1332942318 /nfs/dbraw/zinc/94/23/18/1332942318.db2.gz AQZCSCCCJKSLLM-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001324936970 1333791487 /nfs/dbraw/zinc/79/14/87/1333791487.db2.gz QWLWTZNJPRUJRT-RXVVDRJESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936970 1333791492 /nfs/dbraw/zinc/79/14/92/1333791492.db2.gz QWLWTZNJPRUJRT-RXVVDRJESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936970 1333791496 /nfs/dbraw/zinc/79/14/96/1333791496.db2.gz QWLWTZNJPRUJRT-RXVVDRJESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173805 1334239838 /nfs/dbraw/zinc/23/98/38/1334239838.db2.gz UGZAOBYQYUPPRL-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309797 1334264240 /nfs/dbraw/zinc/26/42/40/1334264240.db2.gz YCBNNSRIJBCFAW-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805916 1334525224 /nfs/dbraw/zinc/52/52/24/1334525224.db2.gz GUICNHOCTHESAN-ROUUACIJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001328914930 1334547066 /nfs/dbraw/zinc/54/70/66/1334547066.db2.gz CHHZPLAPHDODMY-AWRGBYNESA-N 2 1 327.472 2.002 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601716 1334682406 /nfs/dbraw/zinc/68/24/06/1334682406.db2.gz VWGSNZSMUFZPLV-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601716 1334682412 /nfs/dbraw/zinc/68/24/12/1334682412.db2.gz VWGSNZSMUFZPLV-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601716 1334682418 /nfs/dbraw/zinc/68/24/18/1334682418.db2.gz VWGSNZSMUFZPLV-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329601716 1334682421 /nfs/dbraw/zinc/68/24/21/1334682421.db2.gz VWGSNZSMUFZPLV-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332325597 1335802777 /nfs/dbraw/zinc/80/27/77/1335802777.db2.gz XZNMNRSVCRRSSR-NVXWUHKLSA-N 2 1 339.443 2.332 10 30 EEEEMP C#C[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000848277002 1338632098 /nfs/dbraw/zinc/63/20/98/1338632098.db2.gz LMDDSSKBPAXIQS-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001618813026 1352353673 /nfs/dbraw/zinc/35/36/73/1352353673.db2.gz BULCPZNZVIJYBS-QGZVFWFLSA-N 2 1 339.549 2.170 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001571370412 1343200129 /nfs/dbraw/zinc/20/01/29/1343200129.db2.gz VJXNUORXUULKOI-SFHVURJKSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662635095 1354816284 /nfs/dbraw/zinc/81/62/84/1354816284.db2.gz IQMCQUGNUYQEJE-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662635095 1354816285 /nfs/dbraw/zinc/81/62/85/1354816285.db2.gz IQMCQUGNUYQEJE-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001666124911 1355459510 /nfs/dbraw/zinc/45/95/10/1355459510.db2.gz JBSSMOKAMIORMI-HNNXBMFYSA-N 2 1 334.464 2.144 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccsc1)C(C)C ZINC001667469273 1355746649 /nfs/dbraw/zinc/74/66/49/1355746649.db2.gz NYNFAGQXIMIEDU-IRXDYDNUSA-N 2 1 333.501 2.076 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccsc1)C(C)C ZINC001667469273 1355746652 /nfs/dbraw/zinc/74/66/52/1355746652.db2.gz NYNFAGQXIMIEDU-IRXDYDNUSA-N 2 1 333.501 2.076 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939428 1356914042 /nfs/dbraw/zinc/91/40/42/1356914042.db2.gz VFORIVMTEKIYDY-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939428 1356914047 /nfs/dbraw/zinc/91/40/47/1356914047.db2.gz VFORIVMTEKIYDY-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001674939428 1356914049 /nfs/dbraw/zinc/91/40/49/1356914049.db2.gz VFORIVMTEKIYDY-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674939428 1356914051 /nfs/dbraw/zinc/91/40/51/1356914051.db2.gz VFORIVMTEKIYDY-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001692128553 1404989366 /nfs/dbraw/zinc/98/93/66/1404989366.db2.gz JCLBTAFQUAOBHR-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001698956312 1405188521 /nfs/dbraw/zinc/18/85/21/1405188521.db2.gz SKHOLTDQGNHEHV-QZTJIDSGSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699886782 1405552904 /nfs/dbraw/zinc/55/29/04/1405552904.db2.gz HRLPFWGQUFWPOX-CVEARBPZSA-N 2 1 343.462 2.204 10 30 EEEEMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699886782 1405552908 /nfs/dbraw/zinc/55/29/08/1405552908.db2.gz HRLPFWGQUFWPOX-CVEARBPZSA-N 2 1 343.462 2.204 10 30 EEEEMP C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820086845 785782306 /nfs/dbraw/zinc/78/23/06/785782306.db2.gz MCRVJLWOCYDIPZ-SFHVURJKSA-N 2 1 344.503 2.103 10 30 EEEEMP C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820086845 785782313 /nfs/dbraw/zinc/78/23/13/785782313.db2.gz MCRVJLWOCYDIPZ-SFHVURJKSA-N 2 1 344.503 2.103 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1CC ZINC001566012591 1125499395 /nfs/dbraw/zinc/49/93/95/1125499395.db2.gz OASGBCDXFIVZRB-YESZJQIVSA-N 2 1 330.476 2.389 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1CC ZINC001566012591 1125499397 /nfs/dbraw/zinc/49/93/97/1125499397.db2.gz OASGBCDXFIVZRB-YESZJQIVSA-N 2 1 330.476 2.389 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001566012486 1125499584 /nfs/dbraw/zinc/49/95/84/1125499584.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 2 1 337.508 2.031 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001566012486 1125499588 /nfs/dbraw/zinc/49/95/88/1125499588.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 2 1 337.508 2.031 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001566012486 1125499590 /nfs/dbraw/zinc/49/95/90/1125499590.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 2 1 337.508 2.031 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568920303 1124949358 /nfs/dbraw/zinc/94/93/58/1124949358.db2.gz SFEHWPDAMHOMJK-SREVYHEPSA-N 2 1 346.313 2.135 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001437311883 1089470472 /nfs/dbraw/zinc/47/04/72/1089470472.db2.gz NEMMUTVRXTZLBJ-HZPDHXFCSA-N 2 1 327.900 2.440 10 30 EEEEMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001437622138 1090133270 /nfs/dbraw/zinc/13/32/70/1090133270.db2.gz YACXOILQIVZEAX-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001437622138 1090133275 /nfs/dbraw/zinc/13/32/75/1090133275.db2.gz YACXOILQIVZEAX-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001437622138 1090133279 /nfs/dbraw/zinc/13/32/79/1090133279.db2.gz YACXOILQIVZEAX-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001437622138 1090133284 /nfs/dbraw/zinc/13/32/84/1090133284.db2.gz YACXOILQIVZEAX-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001440764603 1094005406 /nfs/dbraw/zinc/00/54/06/1094005406.db2.gz WJWLAPKOJKRPSE-UHFFFAOYSA-N 2 1 335.879 2.355 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001440764603 1094005412 /nfs/dbraw/zinc/00/54/12/1094005412.db2.gz WJWLAPKOJKRPSE-UHFFFAOYSA-N 2 1 335.879 2.355 10 30 EEEEMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)CCC[NH+](C)C ZINC001449035016 1094047836 /nfs/dbraw/zinc/04/78/36/1094047836.db2.gz USDLMXPGWQMJIP-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080298 1094093985 /nfs/dbraw/zinc/09/39/85/1094093985.db2.gz CIBBTWYBNUUPDK-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524217 1095225861 /nfs/dbraw/zinc/22/58/61/1095225861.db2.gz OPXBXSZFHXRWTD-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903441 1096067150 /nfs/dbraw/zinc/06/71/50/1096067150.db2.gz UESJFFAIJYXGHP-OALUTQOASA-N 2 1 342.487 2.273 10 30 EEEEMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001479874747 1099231532 /nfs/dbraw/zinc/23/15/32/1099231532.db2.gz BQNKORKWBMNJHS-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001479874747 1099231540 /nfs/dbraw/zinc/23/15/40/1099231540.db2.gz BQNKORKWBMNJHS-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC001480027612 1099513592 /nfs/dbraw/zinc/51/35/92/1099513592.db2.gz NFGMNPBPFSGYMG-PMACEKPBSA-N 2 1 339.483 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC001480027612 1099513601 /nfs/dbraw/zinc/51/36/01/1099513601.db2.gz NFGMNPBPFSGYMG-PMACEKPBSA-N 2 1 339.483 2.077 10 30 EEEEMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001497500299 1102587619 /nfs/dbraw/zinc/58/76/19/1102587619.db2.gz FEOKJAYJTWKGQI-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC001493897939 1103073420 /nfs/dbraw/zinc/07/34/20/1103073420.db2.gz IVPIKHBXLGJHCY-PKOBYXMFSA-N 2 1 338.455 2.387 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480701698 1106913593 /nfs/dbraw/zinc/91/35/93/1106913593.db2.gz MPHXFSACMJEDFB-UXHICEINSA-N 2 1 341.499 2.201 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001480825673 1107204029 /nfs/dbraw/zinc/20/40/29/1107204029.db2.gz IZWDJVWDGZLNQP-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001480825673 1107204037 /nfs/dbraw/zinc/20/40/37/1107204037.db2.gz IZWDJVWDGZLNQP-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001480825673 1107204040 /nfs/dbraw/zinc/20/40/40/1107204040.db2.gz IZWDJVWDGZLNQP-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001480825673 1107204051 /nfs/dbraw/zinc/20/40/51/1107204051.db2.gz IZWDJVWDGZLNQP-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479424264 1110694942 /nfs/dbraw/zinc/69/49/42/1110694942.db2.gz GHDYVGYNVZXURD-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001499527424 1112342974 /nfs/dbraw/zinc/34/29/74/1112342974.db2.gz JQISZBUCUNWIHJ-GOSISDBHSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001499527424 1112342977 /nfs/dbraw/zinc/34/29/77/1112342977.db2.gz JQISZBUCUNWIHJ-GOSISDBHSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001499527424 1112342982 /nfs/dbraw/zinc/34/29/82/1112342982.db2.gz JQISZBUCUNWIHJ-GOSISDBHSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570770 1112374823 /nfs/dbraw/zinc/37/48/23/1112374823.db2.gz UYQVZXXLPWJECR-MJGOQNOKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500054354 1112594984 /nfs/dbraw/zinc/59/49/84/1112594984.db2.gz NGIMRIUJLVZZMP-DLBZAZTESA-N 2 1 337.483 2.003 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001501020963 1113170086 /nfs/dbraw/zinc/17/00/86/1113170086.db2.gz AAJZUKRCPTVZFF-GOSISDBHSA-N 2 1 326.444 2.387 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001506924083 1114976787 /nfs/dbraw/zinc/97/67/87/1114976787.db2.gz LOKPRPLWLAYZOJ-SFHVURJKSA-N 2 1 341.499 2.397 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507011417 1115052764 /nfs/dbraw/zinc/05/27/64/1115052764.db2.gz DDYZEGCTCHYQPB-HOTGVXAUSA-N 2 1 327.900 2.438 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372046 1115230491 /nfs/dbraw/zinc/23/04/91/1115230491.db2.gz DNRMQVHPUWCKNW-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(CF)cc1 ZINC001567963194 1124206973 /nfs/dbraw/zinc/20/69/73/1124206973.db2.gz WSGREAKXUATIHB-OALUTQOASA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(CF)cc1 ZINC001567963194 1124206981 /nfs/dbraw/zinc/20/69/81/1124206981.db2.gz WSGREAKXUATIHB-OALUTQOASA-N 2 1 345.462 2.238 10 30 EEEEMP C=CC[NH+]1CCC(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001568129802 1124319673 /nfs/dbraw/zinc/31/96/73/1124319673.db2.gz MPEFDPRTUNTGQK-UHFFFAOYSA-N 2 1 339.443 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001568642238 1124655356 /nfs/dbraw/zinc/65/53/56/1124655356.db2.gz JWGDJGXRFSGDQS-CNLJBLCWSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001568642238 1124655358 /nfs/dbraw/zinc/65/53/58/1124655358.db2.gz JWGDJGXRFSGDQS-CNLJBLCWSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001569302732 1125219673 /nfs/dbraw/zinc/21/96/73/1125219673.db2.gz AZSIPQMSYUSNEL-IEBWSBKVSA-N 2 1 331.504 2.149 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022466 285245616 /nfs/dbraw/zinc/24/56/16/285245616.db2.gz YJFBKJUNSDIMFL-OKZBNKHCSA-N 2 1 349.523 2.126 10 30 EEEEMP COc1cc(C#N)ccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000120904830 463053635 /nfs/dbraw/zinc/05/36/35/463053635.db2.gz ZIVZJDYPXNGWQF-IBGZPJMESA-N 2 1 342.487 2.169 10 30 EEEEMP O=C(C[N@@H+]1CC[C@@H](Oc2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330072558 465525070 /nfs/dbraw/zinc/52/50/70/465525070.db2.gz ZEMIWYHVDAHHIX-QGZVFWFLSA-N 2 1 344.459 2.118 10 30 EEEEMP O=C(C[N@H+]1CC[C@@H](Oc2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330072558 465525075 /nfs/dbraw/zinc/52/50/75/465525075.db2.gz ZEMIWYHVDAHHIX-QGZVFWFLSA-N 2 1 344.459 2.118 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1 ZINC000562989822 469125951 /nfs/dbraw/zinc/12/59/51/469125951.db2.gz SYVGBKSTQVSJGK-BEFAXECRSA-N 2 1 341.459 2.038 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCCC3)CC2)CC1 ZINC000573739366 469195690 /nfs/dbraw/zinc/19/56/90/469195690.db2.gz KYOQANKBTNCVDS-UHFFFAOYSA-N 2 1 332.492 2.135 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CCCCC1 ZINC000596688515 469334736 /nfs/dbraw/zinc/33/47/36/469334736.db2.gz DIYZFKFHPDKPRM-INIZCTEOSA-N 2 1 337.512 2.032 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CCCCC1 ZINC000596688515 469334738 /nfs/dbraw/zinc/33/47/38/469334738.db2.gz DIYZFKFHPDKPRM-INIZCTEOSA-N 2 1 337.512 2.032 10 30 EEEEMP CCOCCCNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162457607 682016234 /nfs/dbraw/zinc/01/62/34/682016234.db2.gz RAYWGZLDQNFSIY-LJQANCHMSA-N 2 1 332.492 2.372 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485661704 1191881667 /nfs/dbraw/zinc/88/16/67/1191881667.db2.gz IEVWDVILSPNNNO-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001485661704 1191881669 /nfs/dbraw/zinc/88/16/69/1191881669.db2.gz IEVWDVILSPNNNO-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCCC[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611834 1176979571 /nfs/dbraw/zinc/97/95/71/1176979571.db2.gz ZVFXCYDEHOFRJM-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611834 1176979577 /nfs/dbraw/zinc/97/95/77/1176979577.db2.gz ZVFXCYDEHOFRJM-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267565146 1179371368 /nfs/dbraw/zinc/37/13/68/1179371368.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565146 1179371375 /nfs/dbraw/zinc/37/13/75/1179371375.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565146 1179371388 /nfs/dbraw/zinc/37/13/88/1179371388.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267733339 1180327158 /nfs/dbraw/zinc/32/71/58/1180327158.db2.gz LETXBCYQXIMMGR-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001267733339 1180327166 /nfs/dbraw/zinc/32/71/66/1180327166.db2.gz LETXBCYQXIMMGR-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001267733339 1180327175 /nfs/dbraw/zinc/32/71/75/1180327175.db2.gz LETXBCYQXIMMGR-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791708 1180540643 /nfs/dbraw/zinc/54/06/43/1180540643.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791708 1180540646 /nfs/dbraw/zinc/54/06/46/1180540646.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791708 1180540648 /nfs/dbraw/zinc/54/06/48/1180540648.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267913477 1180752508 /nfs/dbraw/zinc/75/25/08/1180752508.db2.gz QIOFWGCEWPAGAG-LJQANCHMSA-N 2 1 333.520 2.350 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001481696857 1182224166 /nfs/dbraw/zinc/22/41/66/1182224166.db2.gz DSZKXSKWTHHSCO-SFHVURJKSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001482046189 1183225043 /nfs/dbraw/zinc/22/50/43/1183225043.db2.gz REBROMFHMSUBRL-QGZVFWFLSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001670797468 1183390235 /nfs/dbraw/zinc/39/02/35/1183390235.db2.gz GGCBEOHGFVTAKI-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001670797468 1183390241 /nfs/dbraw/zinc/39/02/41/1183390241.db2.gz GGCBEOHGFVTAKI-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371237 1185053899 /nfs/dbraw/zinc/05/38/99/1185053899.db2.gz FMMLQJWRRDRZNM-QAPCUYQASA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386412 1185580538 /nfs/dbraw/zinc/58/05/38/1185580538.db2.gz HCEWCUILYFUFSL-UXHICEINSA-N 2 1 341.499 2.405 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386412 1185580543 /nfs/dbraw/zinc/58/05/43/1185580543.db2.gz HCEWCUILYFUFSL-UXHICEINSA-N 2 1 341.499 2.405 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001271772783 1186474705 /nfs/dbraw/zinc/47/47/05/1186474705.db2.gz VKSAXFZWCQVNCB-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001271772783 1186474707 /nfs/dbraw/zinc/47/47/07/1186474707.db2.gz VKSAXFZWCQVNCB-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001271772783 1186474709 /nfs/dbraw/zinc/47/47/09/1186474709.db2.gz VKSAXFZWCQVNCB-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001271856047 1186555251 /nfs/dbraw/zinc/55/52/51/1186555251.db2.gz XSNVFXQBZRIXRK-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001271856047 1186555256 /nfs/dbraw/zinc/55/52/56/1186555256.db2.gz XSNVFXQBZRIXRK-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485828112 1193479550 /nfs/dbraw/zinc/47/95/50/1193479550.db2.gz UMGWDPMGMFRXEG-MAUKXSAKSA-N 2 1 325.472 2.212 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(=C)C)C1 ZINC001691619836 1188320189 /nfs/dbraw/zinc/32/01/89/1188320189.db2.gz BCCJMCAILHVPMT-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(=C)C)C1 ZINC001691619836 1188320190 /nfs/dbraw/zinc/32/01/90/1188320190.db2.gz BCCJMCAILHVPMT-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001483296640 1190323938 /nfs/dbraw/zinc/32/39/38/1190323938.db2.gz MOMPQLPLUNRTLD-HNNXBMFYSA-N 2 1 335.879 2.126 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001484323524 1191304925 /nfs/dbraw/zinc/30/49/25/1191304925.db2.gz GPOATSXJJSNYPZ-XUVXKRRUSA-N 2 1 341.499 2.359 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001484396321 1191330025 /nfs/dbraw/zinc/33/00/25/1191330025.db2.gz YFSUGGPTYCGAAY-VJANTYMQSA-N 2 1 333.520 2.252 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC001484693182 1191469051 /nfs/dbraw/zinc/46/90/51/1191469051.db2.gz DEJWUPMLVVTNLI-OALUTQOASA-N 2 1 345.487 2.073 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330401 1197713195 /nfs/dbraw/zinc/71/31/95/1197713195.db2.gz PSQFZVIDUOJJEU-QGZVFWFLSA-N 2 1 348.516 2.287 10 30 EEEEMP C=CCn1nnn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872743850 1198364936 /nfs/dbraw/zinc/36/49/36/1198364936.db2.gz LCTXIQMXEWBYQD-UHFFFAOYSA-N 2 1 338.525 2.252 10 30 EEEEMP C=CCn1nnn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872743850 1198364941 /nfs/dbraw/zinc/36/49/41/1198364941.db2.gz LCTXIQMXEWBYQD-UHFFFAOYSA-N 2 1 338.525 2.252 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001273412806 1198671466 /nfs/dbraw/zinc/67/14/66/1198671466.db2.gz KMFJVJHXDJHRPM-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789331 1205527675 /nfs/dbraw/zinc/52/76/75/1205527675.db2.gz BJBHBDHCXVWUMX-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275789331 1205527676 /nfs/dbraw/zinc/52/76/76/1205527676.db2.gz BJBHBDHCXVWUMX-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789331 1205527677 /nfs/dbraw/zinc/52/76/77/1205527677.db2.gz BJBHBDHCXVWUMX-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275789331 1205527678 /nfs/dbraw/zinc/52/76/78/1205527678.db2.gz BJBHBDHCXVWUMX-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccccc1Cl ZINC001490280920 1291108001 /nfs/dbraw/zinc/10/80/01/1291108001.db2.gz APICOADANFKSRR-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC001490280920 1291108012 /nfs/dbraw/zinc/10/80/12/1291108012.db2.gz APICOADANFKSRR-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001490280920 1291108017 /nfs/dbraw/zinc/10/80/17/1291108017.db2.gz APICOADANFKSRR-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244936 1295776855 /nfs/dbraw/zinc/77/68/55/1295776855.db2.gz MZRRQBQYEUCEKO-RTBURBONSA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244936 1295776868 /nfs/dbraw/zinc/77/68/68/1295776868.db2.gz MZRRQBQYEUCEKO-RTBURBONSA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491171154 1299651526 /nfs/dbraw/zinc/65/15/26/1299651526.db2.gz YZHACBGYHLVONH-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001278200861 1306285521 /nfs/dbraw/zinc/28/55/21/1306285521.db2.gz VYXFESVYRSYLJQ-SREVYHEPSA-N 2 1 342.487 2.474 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451925 1310326038 /nfs/dbraw/zinc/32/60/38/1310326038.db2.gz YYILEXIGMXFTTE-XLIONFOSSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCCC)CC1 ZINC001279079511 1319196441 /nfs/dbraw/zinc/19/64/41/1319196441.db2.gz PDPYJSTUVUCVTO-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCCC)CC1 ZINC001279079511 1319196447 /nfs/dbraw/zinc/19/64/47/1319196447.db2.gz PDPYJSTUVUCVTO-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001265503567 1323186446 /nfs/dbraw/zinc/18/64/46/1323186446.db2.gz YSSPFXVUSFTOIH-WGSAOQKQSA-N 2 1 345.462 2.146 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610797 1324776972 /nfs/dbraw/zinc/77/69/72/1324776972.db2.gz DVYNHGHYPOTCCP-WOJBJXKFSA-N 2 1 339.483 2.007 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283178517 1325945905 /nfs/dbraw/zinc/94/59/05/1325945905.db2.gz RPNYWCPWTHUGHK-GPMSIDNRSA-N 2 1 342.487 2.273 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284066170 1326389684 /nfs/dbraw/zinc/38/96/84/1326389684.db2.gz FIKPORGYJCIKIT-HKUYNNGSSA-N 2 1 328.460 2.108 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284066170 1326389687 /nfs/dbraw/zinc/38/96/87/1326389687.db2.gz FIKPORGYJCIKIT-HKUYNNGSSA-N 2 1 328.460 2.108 10 30 EEEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001284148077 1326435097 /nfs/dbraw/zinc/43/50/97/1326435097.db2.gz DWQCCFVCOKAYSY-MOPGFXCFSA-N 2 1 329.488 2.364 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001491841703 1330271059 /nfs/dbraw/zinc/27/10/59/1330271059.db2.gz CGNHKBRGMLFPLB-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccc(C#N)c1 ZINC001316892310 1331958101 /nfs/dbraw/zinc/95/81/01/1331958101.db2.gz FQQZCBUOYNWFDU-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317043113 1332056925 /nfs/dbraw/zinc/05/69/25/1332056925.db2.gz HPEKVOFGGGLICT-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317043113 1332056927 /nfs/dbraw/zinc/05/69/27/1332056927.db2.gz HPEKVOFGGGLICT-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317043113 1332056930 /nfs/dbraw/zinc/05/69/30/1332056930.db2.gz HPEKVOFGGGLICT-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317043113 1332056932 /nfs/dbraw/zinc/05/69/32/1332056932.db2.gz HPEKVOFGGGLICT-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317794518 1332411830 /nfs/dbraw/zinc/41/18/30/1332411830.db2.gz CWZODNKLQCJJSN-GOSISDBHSA-N 2 1 341.499 2.256 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001317877124 1332439079 /nfs/dbraw/zinc/43/90/79/1332439079.db2.gz SJVIJUCTDJTWLG-UHFFFAOYSA-N 2 1 331.504 2.056 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437634 1332533846 /nfs/dbraw/zinc/53/38/46/1332533846.db2.gz RWRWAFCBCBXLRE-IBGZPJMESA-N 2 1 345.487 2.097 10 30 EEEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001318712729 1332582281 /nfs/dbraw/zinc/58/22/81/1332582281.db2.gz IUWQPVPTABAUCR-ROUUACIJSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2csc(C)c2)CC1 ZINC001322306343 1333244564 /nfs/dbraw/zinc/24/45/64/1333244564.db2.gz KATIMQRLZPBXSS-HNNXBMFYSA-N 2 1 347.528 2.338 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001324647536 1333730684 /nfs/dbraw/zinc/73/06/84/1333730684.db2.gz OKDCIQLXSHFVLN-IBGZPJMESA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001324647536 1333730688 /nfs/dbraw/zinc/73/06/88/1333730688.db2.gz OKDCIQLXSHFVLN-IBGZPJMESA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741651 1334705997 /nfs/dbraw/zinc/70/59/97/1334705997.db2.gz JDOHTUDWUNQTLZ-CJWPDFJNSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741651 1334706001 /nfs/dbraw/zinc/70/60/01/1334706001.db2.gz JDOHTUDWUNQTLZ-CJWPDFJNSA-N 2 1 339.911 2.299 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331283261 1334990425 /nfs/dbraw/zinc/99/04/25/1334990425.db2.gz OYMPBCXVKILMHP-UYAOXDASSA-N 2 1 345.531 2.491 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001331456188 1335016872 /nfs/dbraw/zinc/01/68/72/1335016872.db2.gz SJJMVWKPGRNNCF-YSIASYRMSA-N 2 1 341.499 2.205 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001566879546 1342646743 /nfs/dbraw/zinc/64/67/43/1342646743.db2.gz OQDDKEPRIGTTDH-PMACEKPBSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001571490534 1343218542 /nfs/dbraw/zinc/21/85/42/1343218542.db2.gz FSTGULUAMBKIEN-APWZRJJASA-N 2 1 345.462 2.098 10 30 EEEEMP CC#CC[NH+](C)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001571614611 1343252206 /nfs/dbraw/zinc/25/22/06/1343252206.db2.gz NGHYGHACEBMWES-IBGZPJMESA-N 2 1 339.499 2.391 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001649461114 1353517837 /nfs/dbraw/zinc/51/78/37/1353517837.db2.gz DBKGMACLRHKLMJ-MJGOQNOKSA-N 2 1 329.488 2.174 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001661345974 1354629467 /nfs/dbraw/zinc/62/94/67/1354629467.db2.gz AQFLDRCVQIXKON-HOTGVXAUSA-N 2 1 346.475 2.429 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752505 1354689596 /nfs/dbraw/zinc/68/95/96/1354689596.db2.gz KREUQOJJVRXSPJ-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1F ZINC001670127619 1356280935 /nfs/dbraw/zinc/28/09/35/1356280935.db2.gz GZZCAVBBOYDZKD-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1F ZINC001670127619 1356280940 /nfs/dbraw/zinc/28/09/40/1356280940.db2.gz GZZCAVBBOYDZKD-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337286 1356329928 /nfs/dbraw/zinc/32/99/28/1356329928.db2.gz FLZFXSFEMAHSNN-RTBURBONSA-N 2 1 331.504 2.387 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001674343370 1356821636 /nfs/dbraw/zinc/82/16/36/1356821636.db2.gz TYTZGGCGRSCHOJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001674343370 1356821637 /nfs/dbraw/zinc/82/16/37/1356821637.db2.gz TYTZGGCGRSCHOJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001674343370 1356821641 /nfs/dbraw/zinc/82/16/41/1356821641.db2.gz TYTZGGCGRSCHOJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)C[NH+](C)C1CCC1 ZINC001698989235 1405206647 /nfs/dbraw/zinc/20/66/47/1405206647.db2.gz RFYYFENFZRWRNQ-UHFFFAOYSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)C[NH+](C)C1CCC1 ZINC001698989235 1405206655 /nfs/dbraw/zinc/20/66/55/1405206655.db2.gz RFYYFENFZRWRNQ-UHFFFAOYSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001698989235 1405206663 /nfs/dbraw/zinc/20/66/63/1405206663.db2.gz RFYYFENFZRWRNQ-UHFFFAOYSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001698989235 1405206670 /nfs/dbraw/zinc/20/66/70/1405206670.db2.gz RFYYFENFZRWRNQ-UHFFFAOYSA-N 2 1 345.462 2.052 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001699105020 1405259725 /nfs/dbraw/zinc/25/97/25/1405259725.db2.gz PXWUWKRSMKNGMP-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001699105020 1405259729 /nfs/dbraw/zinc/25/97/29/1405259729.db2.gz PXWUWKRSMKNGMP-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780389 779301784 /nfs/dbraw/zinc/30/17/84/779301784.db2.gz PTOJQTAXQUGIEI-HNNXBMFYSA-N 2 1 333.501 2.273 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800518 779305365 /nfs/dbraw/zinc/30/53/65/779305365.db2.gz BMBSZHZIWDBWOW-ZWKOTPCHSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800518 779305368 /nfs/dbraw/zinc/30/53/68/779305368.db2.gz BMBSZHZIWDBWOW-ZWKOTPCHSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800518 779305371 /nfs/dbraw/zinc/30/53/71/779305371.db2.gz BMBSZHZIWDBWOW-ZWKOTPCHSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000940807203 779317326 /nfs/dbraw/zinc/31/73/26/779317326.db2.gz KDYHMDHXUMPEQC-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000940807203 779317328 /nfs/dbraw/zinc/31/73/28/779317328.db2.gz KDYHMDHXUMPEQC-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC1(C)C ZINC000940807203 779317330 /nfs/dbraw/zinc/31/73/30/779317330.db2.gz KDYHMDHXUMPEQC-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC1(C)C ZINC000940807203 779317331 /nfs/dbraw/zinc/31/73/31/779317331.db2.gz KDYHMDHXUMPEQC-ROUUACIJSA-N 2 1 331.504 2.101 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)C1 ZINC001439240721 1091888046 /nfs/dbraw/zinc/88/80/46/1091888046.db2.gz BHZCUZOJUSOWIZ-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001440956762 1094211572 /nfs/dbraw/zinc/21/15/72/1094211572.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001440956762 1094211574 /nfs/dbraw/zinc/21/15/74/1094211574.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440956762 1094211576 /nfs/dbraw/zinc/21/15/76/1094211576.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441543168 1095262986 /nfs/dbraw/zinc/26/29/86/1095262986.db2.gz FEYCEKCOHCTVQC-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441878031 1095999977 /nfs/dbraw/zinc/99/99/77/1095999977.db2.gz RONWNSHMKUYVCN-UYAOXDASSA-N 2 1 340.471 2.123 10 30 EEEEMP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001442623713 1096992551 /nfs/dbraw/zinc/99/25/51/1096992551.db2.gz YLIIWGWZRYHMKJ-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001479794883 1099008185 /nfs/dbraw/zinc/00/81/85/1099008185.db2.gz YUEABKUJOICUEN-GOSISDBHSA-N 2 1 330.476 2.083 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001479972484 1099420278 /nfs/dbraw/zinc/42/02/78/1099420278.db2.gz UOBPRCDDSSFWCT-GOSISDBHSA-N 2 1 333.520 2.348 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184519 1102088687 /nfs/dbraw/zinc/08/86/87/1102088687.db2.gz AHZWKIYANHJAPW-QUCCMNQESA-N 2 1 341.499 2.395 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597327 1106735030 /nfs/dbraw/zinc/73/50/30/1106735030.db2.gz OXRIAXGVSGPDPN-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001498560394 1107722500 /nfs/dbraw/zinc/72/25/00/1107722500.db2.gz QLBLFMLXWVWJAE-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394714 1113340435 /nfs/dbraw/zinc/34/04/35/1113340435.db2.gz JJEOYWZYCPAPGI-QZTJIDSGSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC2CC(C)C2)CC1 ZINC001502400857 1113666785 /nfs/dbraw/zinc/66/67/85/1113666785.db2.gz BJAUAINKYJRIDW-UHFFFAOYSA-N 2 1 333.520 2.158 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001505404804 1113941030 /nfs/dbraw/zinc/94/10/30/1113941030.db2.gz OWRJKRLSGFSXSR-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938240 1114987771 /nfs/dbraw/zinc/98/77/71/1114987771.db2.gz NXVDMPLGIDNUHV-RBUKOAKNSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C1CC1 ZINC001569306633 1125221700 /nfs/dbraw/zinc/22/17/00/1125221700.db2.gz RMMVNIMVCUCVEG-MSOLQXFVSA-N 2 1 345.512 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C1CC1 ZINC001569306633 1125221705 /nfs/dbraw/zinc/22/17/05/1125221705.db2.gz RMMVNIMVCUCVEG-MSOLQXFVSA-N 2 1 345.512 2.139 10 30 EEEEMP C#CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121134728 463085655 /nfs/dbraw/zinc/08/56/55/463085655.db2.gz HILSVSPDQPBXHH-KRWDZBQOSA-N 2 1 330.472 2.223 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001671503901 1176859911 /nfs/dbraw/zinc/85/99/11/1176859911.db2.gz GTEHTMWMCDDAOU-MJRGOJFPSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691148739 1177638335 /nfs/dbraw/zinc/63/83/35/1177638335.db2.gz GVCLOILIFFYHGO-BZSNNMDCSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691148739 1177638339 /nfs/dbraw/zinc/63/83/39/1177638339.db2.gz GVCLOILIFFYHGO-BZSNNMDCSA-N 2 1 333.520 2.395 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001691373626 1177979429 /nfs/dbraw/zinc/97/94/29/1177979429.db2.gz BZFJTSKHRDJRNC-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267196931 1178475549 /nfs/dbraw/zinc/47/55/49/1178475549.db2.gz ODBWNRDFMNCGAT-MJGOQNOKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001267806543 1180557187 /nfs/dbraw/zinc/55/71/87/1180557187.db2.gz NTKXGDIZBVNQDM-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001267806543 1180557192 /nfs/dbraw/zinc/55/71/92/1180557192.db2.gz NTKXGDIZBVNQDM-UXHICEINSA-N 2 1 341.499 2.385 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001481405621 1181230891 /nfs/dbraw/zinc/23/08/91/1181230891.db2.gz KHVFLEYEIJSZDT-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001481405621 1181230897 /nfs/dbraw/zinc/23/08/97/1181230897.db2.gz KHVFLEYEIJSZDT-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824204 1182744379 /nfs/dbraw/zinc/74/43/79/1182744379.db2.gz QMBXVUVFDJLEGV-OALUTQOASA-N 2 1 327.472 2.007 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001482027697 1183157329 /nfs/dbraw/zinc/15/73/29/1183157329.db2.gz MBBHVQGFAFWHEC-WGSAOQKQSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001482027697 1183157333 /nfs/dbraw/zinc/15/73/33/1183157333.db2.gz MBBHVQGFAFWHEC-WGSAOQKQSA-N 2 1 327.472 2.159 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268725789 1183644547 /nfs/dbraw/zinc/64/45/47/1183644547.db2.gz OSXCIBZMJQMKFU-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268725789 1183644553 /nfs/dbraw/zinc/64/45/53/1183644553.db2.gz OSXCIBZMJQMKFU-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268725789 1183644555 /nfs/dbraw/zinc/64/45/55/1183644555.db2.gz OSXCIBZMJQMKFU-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268725789 1183644558 /nfs/dbraw/zinc/64/45/58/1183644558.db2.gz OSXCIBZMJQMKFU-QAPCUYQASA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC[C@H]1C ZINC001269677088 1184502329 /nfs/dbraw/zinc/50/23/29/1184502329.db2.gz NIMPCTQMLHWTBW-NQIIRXRSSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC[C@H]1C ZINC001269677088 1184502337 /nfs/dbraw/zinc/50/23/37/1184502337.db2.gz NIMPCTQMLHWTBW-NQIIRXRSSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001270051543 1184814545 /nfs/dbraw/zinc/81/45/45/1184814545.db2.gz YARZLBPEOSQNAK-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001270157530 1184887559 /nfs/dbraw/zinc/88/75/59/1184887559.db2.gz DGZGDGMFZRBTSL-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001270157530 1184887568 /nfs/dbraw/zinc/88/75/68/1184887568.db2.gz DGZGDGMFZRBTSL-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC1CCCC1 ZINC001482296115 1185162021 /nfs/dbraw/zinc/16/20/21/1185162021.db2.gz HOGXFHFWJNBZML-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC1CCCC1 ZINC001482296115 1185162025 /nfs/dbraw/zinc/16/20/25/1185162025.db2.gz HOGXFHFWJNBZML-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001482504479 1186415013 /nfs/dbraw/zinc/41/50/13/1186415013.db2.gz LYUHDNIFULSQPY-IBGZPJMESA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCCC(F)(F)F ZINC001482603760 1187350047 /nfs/dbraw/zinc/35/00/47/1187350047.db2.gz QUGHLZAMEIJXFT-HNNXBMFYSA-N 2 1 347.425 2.207 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCCC(F)(F)F ZINC001482603760 1187350051 /nfs/dbraw/zinc/35/00/51/1187350051.db2.gz QUGHLZAMEIJXFT-HNNXBMFYSA-N 2 1 347.425 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCCC(F)(F)F ZINC001482603760 1187350054 /nfs/dbraw/zinc/35/00/54/1187350054.db2.gz QUGHLZAMEIJXFT-HNNXBMFYSA-N 2 1 347.425 2.207 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCCC(F)(F)F ZINC001482603760 1187350058 /nfs/dbraw/zinc/35/00/58/1187350058.db2.gz QUGHLZAMEIJXFT-HNNXBMFYSA-N 2 1 347.425 2.207 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482842105 1187761369 /nfs/dbraw/zinc/76/13/69/1187761369.db2.gz UXWZTULEPSYDAH-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482929830 1187850758 /nfs/dbraw/zinc/85/07/58/1187850758.db2.gz LOPPBOMSKKADMX-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422656 1190469319 /nfs/dbraw/zinc/46/93/19/1190469319.db2.gz XMDDPOCTCAPXJI-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422656 1190469322 /nfs/dbraw/zinc/46/93/22/1190469322.db2.gz XMDDPOCTCAPXJI-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422656 1190469324 /nfs/dbraw/zinc/46/93/24/1190469324.db2.gz XMDDPOCTCAPXJI-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001483422656 1190469328 /nfs/dbraw/zinc/46/93/28/1190469328.db2.gz XMDDPOCTCAPXJI-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001484792295 1191527599 /nfs/dbraw/zinc/52/75/99/1191527599.db2.gz JYICWWNWQWCCBM-SJORKVTESA-N 2 1 337.508 2.011 10 30 EEEEMP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001484792295 1191527600 /nfs/dbraw/zinc/52/76/00/1191527600.db2.gz JYICWWNWQWCCBM-SJORKVTESA-N 2 1 337.508 2.011 10 30 EEEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001484922074 1191576349 /nfs/dbraw/zinc/57/63/49/1191576349.db2.gz HRYUBPGHFJNOQK-GJZGRUSLSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355872 1202496118 /nfs/dbraw/zinc/49/61/18/1202496118.db2.gz OWHXNJYNVFKGAU-IBGZPJMESA-N 2 1 339.483 2.244 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001275129648 1205263985 /nfs/dbraw/zinc/26/39/85/1205263985.db2.gz ZWLAKQGJWCZEIH-IBGZPJMESA-N 2 1 341.499 2.350 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000900158555 1234054485 /nfs/dbraw/zinc/05/44/85/1234054485.db2.gz QONDNHKLBSQUAG-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948619 1239164909 /nfs/dbraw/zinc/16/49/09/1239164909.db2.gz VAEILXQHFFKFHN-HNAYVOBHSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948619 1239164915 /nfs/dbraw/zinc/16/49/15/1239164915.db2.gz VAEILXQHFFKFHN-HNAYVOBHSA-N 2 1 336.439 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001491487104 1259137798 /nfs/dbraw/zinc/13/77/98/1259137798.db2.gz UPAVZXNOZBVFTD-PBHICJAKSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001491487104 1259137800 /nfs/dbraw/zinc/13/78/00/1259137800.db2.gz UPAVZXNOZBVFTD-PBHICJAKSA-N 2 1 333.863 2.032 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001273823956 1286464934 /nfs/dbraw/zinc/46/49/34/1286464934.db2.gz FWVQTKXNKCHAFE-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001488760457 1290179101 /nfs/dbraw/zinc/17/91/01/1290179101.db2.gz ABPWTAKCTFNVPQ-ZIFCJYIRSA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001490698144 1291628581 /nfs/dbraw/zinc/62/85/81/1291628581.db2.gz ALYKZUTXTARECA-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586120 1322740048 /nfs/dbraw/zinc/74/00/48/1322740048.db2.gz LLGLLECBTQUGKY-NXHRZFHOSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586120 1322740052 /nfs/dbraw/zinc/74/00/52/1322740052.db2.gz LLGLLECBTQUGKY-NXHRZFHOSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586120 1322740053 /nfs/dbraw/zinc/74/00/53/1322740053.db2.gz LLGLLECBTQUGKY-NXHRZFHOSA-N 2 1 333.520 2.203 10 30 EEEEMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265173044 1322965754 /nfs/dbraw/zinc/96/57/54/1322965754.db2.gz SDKAIHNYKAGZEC-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265173044 1322965758 /nfs/dbraw/zinc/96/57/58/1322965758.db2.gz SDKAIHNYKAGZEC-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280198176 1324110768 /nfs/dbraw/zinc/11/07/68/1324110768.db2.gz OFTDBXXJTXOWML-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001281776063 1325447620 /nfs/dbraw/zinc/44/76/20/1325447620.db2.gz HCNBRQZNJXDYTI-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001281776063 1325447622 /nfs/dbraw/zinc/44/76/22/1325447622.db2.gz HCNBRQZNJXDYTI-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282673642 1325762396 /nfs/dbraw/zinc/76/23/96/1325762396.db2.gz ALSVUFZHBSBULJ-QGZVFWFLSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282673642 1325762397 /nfs/dbraw/zinc/76/23/97/1325762397.db2.gz ALSVUFZHBSBULJ-QGZVFWFLSA-N 2 1 330.476 2.391 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001282884138 1325821858 /nfs/dbraw/zinc/82/18/58/1325821858.db2.gz AGBFOYIOOIRKFI-OKYOBFRVSA-N 2 1 333.520 2.367 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161384 1332106193 /nfs/dbraw/zinc/10/61/93/1332106193.db2.gz HNPTVFCJWRHRJJ-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP CC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)CCC[NH+](C)C ZINC001317484735 1332261111 /nfs/dbraw/zinc/26/11/11/1332261111.db2.gz SCUNQKDBHAQHHB-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)CCC[NH+](C)C ZINC001317484735 1332261114 /nfs/dbraw/zinc/26/11/14/1332261114.db2.gz SCUNQKDBHAQHHB-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C\Cl)C(C)C ZINC001317687969 1332374246 /nfs/dbraw/zinc/37/42/46/1332374246.db2.gz CFQAKVPWYGFCTF-HWYHOQROSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C/C=C\Cl)C(C)C ZINC001317687969 1332374237 /nfs/dbraw/zinc/37/42/37/1332374237.db2.gz CFQAKVPWYGFCTF-HWYHOQROSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C/C=C\Cl)C(C)C ZINC001317687969 1332374240 /nfs/dbraw/zinc/37/42/40/1332374240.db2.gz CFQAKVPWYGFCTF-HWYHOQROSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C\Cl)C(C)C ZINC001317687969 1332374242 /nfs/dbraw/zinc/37/42/42/1332374242.db2.gz CFQAKVPWYGFCTF-HWYHOQROSA-N 2 1 325.884 2.053 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840837 1332427548 /nfs/dbraw/zinc/42/75/48/1332427548.db2.gz VZRRRACDGNWCMI-MAUKXSAKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840837 1332427552 /nfs/dbraw/zinc/42/75/52/1332427552.db2.gz VZRRRACDGNWCMI-MAUKXSAKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317840837 1332427555 /nfs/dbraw/zinc/42/75/55/1332427555.db2.gz VZRRRACDGNWCMI-MAUKXSAKSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317840837 1332427558 /nfs/dbraw/zinc/42/75/58/1332427558.db2.gz VZRRRACDGNWCMI-MAUKXSAKSA-N 2 1 345.491 2.146 10 30 EEEEMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001319145297 1332657058 /nfs/dbraw/zinc/65/70/58/1332657058.db2.gz OVFQZQZFRKJOHH-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001321188459 1333040433 /nfs/dbraw/zinc/04/04/33/1333040433.db2.gz HPSHDJKQYNRRTM-LHRDXKRPSA-N 2 1 345.874 2.048 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001325707942 1333944782 /nfs/dbraw/zinc/94/47/82/1333944782.db2.gz HMZIAIQRVYOXKD-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001326541332 1334112221 /nfs/dbraw/zinc/11/22/21/1334112221.db2.gz HKZXFHXWXRDCCF-BZSNNMDCSA-N 2 1 342.487 2.042 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001326890796 1334177624 /nfs/dbraw/zinc/17/76/24/1334177624.db2.gz SHMTUFFPCFXJGQ-MSOLQXFVSA-N 2 1 327.472 2.146 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300980 1334820379 /nfs/dbraw/zinc/82/03/79/1334820379.db2.gz YLEPZIQEKXTPLI-WTGUMLROSA-N 2 1 345.531 2.369 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001565854941 1342570151 /nfs/dbraw/zinc/57/01/51/1342570151.db2.gz WQTMHHANGGVBDM-IZAXUBKRSA-N 2 1 345.462 2.003 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967921 1342668073 /nfs/dbraw/zinc/66/80/73/1342668073.db2.gz YUMBSTWVTZORIH-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567740978 1342830178 /nfs/dbraw/zinc/83/01/78/1342830178.db2.gz AMOAIIQHDIRHRF-SFHVURJKSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478090 1342882075 /nfs/dbraw/zinc/88/20/75/1342882075.db2.gz QCDUTOXQXKCSSX-LPHOPBHVSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001569478090 1342882081 /nfs/dbraw/zinc/88/20/81/1342882081.db2.gz QCDUTOXQXKCSSX-LPHOPBHVSA-N 2 1 330.476 2.471 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001676845667 1357218894 /nfs/dbraw/zinc/21/88/94/1357218894.db2.gz MBHZRIHKKPTKDH-RCCFBDPRSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001677643254 1357382086 /nfs/dbraw/zinc/38/20/86/1357382086.db2.gz MMKZICFQHGWBOC-GOSISDBHSA-N 2 1 331.435 2.039 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC2CC3(CCC3)C2)CC1 ZINC001663461248 1354965073 /nfs/dbraw/zinc/96/50/73/1354965073.db2.gz IECNIZGFLCVCFW-UHFFFAOYSA-N 2 1 345.531 2.350 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)C(C)C ZINC001665702006 1355364892 /nfs/dbraw/zinc/36/48/92/1355364892.db2.gz ULYOFMJEHLLNNZ-MSOLQXFVSA-N 2 1 336.524 2.421 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001666323323 1355509033 /nfs/dbraw/zinc/50/90/33/1355509033.db2.gz LANCSZQGAPAKCM-FHWLQOOXSA-N 2 1 327.472 2.330 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001671934883 1356441220 /nfs/dbraw/zinc/44/12/20/1356441220.db2.gz MINOXJYKYLZWPX-QGZVFWFLSA-N 2 1 337.508 2.082 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001672816196 1356591083 /nfs/dbraw/zinc/59/10/83/1356591083.db2.gz NNQXRVOSWMGAJJ-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001672925062 1356616196 /nfs/dbraw/zinc/61/61/96/1356616196.db2.gz OVMLOLZAWSTZKL-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001672925062 1356616201 /nfs/dbraw/zinc/61/62/01/1356616201.db2.gz OVMLOLZAWSTZKL-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001672925062 1356616206 /nfs/dbraw/zinc/61/62/06/1356616206.db2.gz OVMLOLZAWSTZKL-LJQANCHMSA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691898140 1356921418 /nfs/dbraw/zinc/92/14/18/1356921418.db2.gz JSSUNLVQUOOZOI-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691898140 1356921420 /nfs/dbraw/zinc/92/14/20/1356921420.db2.gz JSSUNLVQUOOZOI-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691898140 1356921423 /nfs/dbraw/zinc/92/14/23/1356921423.db2.gz JSSUNLVQUOOZOI-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCCn1cc[nH+]c1C ZINC001690913704 1404943001 /nfs/dbraw/zinc/94/30/01/1404943001.db2.gz SHVZJXBIWQAOQB-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCCn1cc[nH+]c1C ZINC001690913704 1404943010 /nfs/dbraw/zinc/94/30/10/1404943010.db2.gz SHVZJXBIWQAOQB-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CCCCC1 ZINC001698879487 1405125501 /nfs/dbraw/zinc/12/55/01/1405125501.db2.gz IXDPJVLVPOCLCK-ROUUACIJSA-N 2 1 337.483 2.098 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CCCCC1 ZINC001698879487 1405125505 /nfs/dbraw/zinc/12/55/05/1405125505.db2.gz IXDPJVLVPOCLCK-ROUUACIJSA-N 2 1 337.483 2.098 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106929 1405262525 /nfs/dbraw/zinc/26/25/25/1405262525.db2.gz HQZVHBAXTRWORI-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795040 1088363899 /nfs/dbraw/zinc/36/38/99/1088363899.db2.gz GZPOYIVQYTYBEM-OALUTQOASA-N 2 1 340.471 2.027 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300963 1090780748 /nfs/dbraw/zinc/78/07/48/1090780748.db2.gz LWIHCKKFAFRWAF-PBHICJAKSA-N 2 1 348.516 2.479 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830920 1091451717 /nfs/dbraw/zinc/45/17/17/1091451717.db2.gz AHEKEOLINPATRL-LPHOPBHVSA-N 2 1 342.487 2.130 10 30 EEEEMP CN(CCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[NH+]1CCCC1 ZINC001440483767 1093715796 /nfs/dbraw/zinc/71/57/96/1093715796.db2.gz QFJIJVGIXWFSPC-UHFFFAOYSA-N 2 1 346.450 2.073 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440764623 1094004901 /nfs/dbraw/zinc/00/49/01/1094004901.db2.gz WYOQEUUIWPYNDD-UHFFFAOYSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479526021 1098591603 /nfs/dbraw/zinc/59/16/03/1098591603.db2.gz OKKNFIJFPPKYCB-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479526021 1098591610 /nfs/dbraw/zinc/59/16/10/1098591610.db2.gz OKKNFIJFPPKYCB-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001444073128 1098598435 /nfs/dbraw/zinc/59/84/35/1098598435.db2.gz MMLLREVIYHRMFS-GJZGRUSLSA-N 2 1 327.900 2.488 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001479718081 1098803196 /nfs/dbraw/zinc/80/31/96/1098803196.db2.gz NOWZDTXTGMJHDG-MNEFBYGVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001479718081 1098803205 /nfs/dbraw/zinc/80/32/05/1098803205.db2.gz NOWZDTXTGMJHDG-MNEFBYGVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479835166 1099118806 /nfs/dbraw/zinc/11/88/06/1099118806.db2.gz UTLDDNJQRFZFOK-WMZOPIPTSA-N 2 1 330.476 2.354 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481007 1100289148 /nfs/dbraw/zinc/28/91/48/1100289148.db2.gz UZGLLXKUPSNZIN-KGLIPLIRSA-N 2 1 334.489 2.088 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001445360554 1100597473 /nfs/dbraw/zinc/59/74/73/1100597473.db2.gz LGEJRUOZSBDTCS-RDTXWAMCSA-N 2 1 346.450 2.164 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001495445758 1101159358 /nfs/dbraw/zinc/15/93/58/1101159358.db2.gz GHOWDCRJNNZLAI-UFYCRDLUSA-N 2 1 339.483 2.149 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001446688046 1101246801 /nfs/dbraw/zinc/24/68/01/1101246801.db2.gz VFHKTGKRIWXLBQ-BFYDXBDKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001446688046 1101246807 /nfs/dbraw/zinc/24/68/07/1101246807.db2.gz VFHKTGKRIWXLBQ-BFYDXBDKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001446688046 1101246808 /nfs/dbraw/zinc/24/68/08/1101246808.db2.gz VFHKTGKRIWXLBQ-BFYDXBDKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001446688046 1101246812 /nfs/dbraw/zinc/24/68/12/1101246812.db2.gz VFHKTGKRIWXLBQ-BFYDXBDKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001497681970 1102893734 /nfs/dbraw/zinc/89/37/34/1102893734.db2.gz XHPURNHXNJKSAU-UFOWUTGFSA-N 2 1 330.476 2.371 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001494299820 1103857493 /nfs/dbraw/zinc/85/74/93/1103857493.db2.gz QZVWCFIWRZJSQP-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001494299820 1103857507 /nfs/dbraw/zinc/85/75/07/1103857507.db2.gz QZVWCFIWRZJSQP-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001494299820 1103857519 /nfs/dbraw/zinc/85/75/19/1103857519.db2.gz QZVWCFIWRZJSQP-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001494299820 1103857535 /nfs/dbraw/zinc/85/75/35/1103857535.db2.gz QZVWCFIWRZJSQP-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001494792132 1104374223 /nfs/dbraw/zinc/37/42/23/1104374223.db2.gz IIWSABICPLADLH-LIXSYLKWSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001480771612 1107085942 /nfs/dbraw/zinc/08/59/42/1107085942.db2.gz WNQUYQBWSCKFER-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001480771612 1107085956 /nfs/dbraw/zinc/08/59/56/1107085956.db2.gz WNQUYQBWSCKFER-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978599 1108408262 /nfs/dbraw/zinc/40/82/62/1108408262.db2.gz HEXITTJASXTGNC-IEBWSBKVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498978599 1108408270 /nfs/dbraw/zinc/40/82/70/1108408270.db2.gz HEXITTJASXTGNC-IEBWSBKVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498978599 1108408272 /nfs/dbraw/zinc/40/82/72/1108408272.db2.gz HEXITTJASXTGNC-IEBWSBKVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054454 1112595111 /nfs/dbraw/zinc/59/51/11/1112595111.db2.gz PFVIHVVKCXAMOC-MRXNPFEDSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500054454 1112595113 /nfs/dbraw/zinc/59/51/13/1112595113.db2.gz PFVIHVVKCXAMOC-MRXNPFEDSA-N 2 1 337.895 2.007 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCOCC1 ZINC001500582128 1112954572 /nfs/dbraw/zinc/95/45/72/1112954572.db2.gz SMYMEXMNMPOASZ-GOSISDBHSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001506027153 1114355692 /nfs/dbraw/zinc/35/56/92/1114355692.db2.gz FZIHJQQGSOWEHP-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001506027153 1114355697 /nfs/dbraw/zinc/35/56/97/1114355697.db2.gz FZIHJQQGSOWEHP-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001506720390 1114829188 /nfs/dbraw/zinc/82/91/88/1114829188.db2.gz HXQYLPSMUVWZTK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001506720390 1114829191 /nfs/dbraw/zinc/82/91/91/1114829191.db2.gz HXQYLPSMUVWZTK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001506720390 1114829192 /nfs/dbraw/zinc/82/91/92/1114829192.db2.gz HXQYLPSMUVWZTK-QUCCMNQESA-N 2 1 349.519 2.130 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156296 1115138689 /nfs/dbraw/zinc/13/86/89/1115138689.db2.gz XADMUFZGWAAIIL-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(CC)c1 ZINC001568863857 1124889859 /nfs/dbraw/zinc/88/98/59/1124889859.db2.gz LOWNNNNAVFMRCS-XJDXJNMNSA-N 2 1 339.483 2.109 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(CC)c1 ZINC001568863857 1124889865 /nfs/dbraw/zinc/88/98/65/1124889865.db2.gz LOWNNNNAVFMRCS-XJDXJNMNSA-N 2 1 339.483 2.109 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000176158755 464709811 /nfs/dbraw/zinc/70/98/11/464709811.db2.gz RUAHFHBKOVVWBY-QGZVFWFLSA-N 2 1 331.464 2.016 10 30 EEEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343530537 465524789 /nfs/dbraw/zinc/52/47/89/465524789.db2.gz OGBXZNGCGGYOPU-HXUWFJFHSA-N 2 1 326.488 2.355 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343530537 465524793 /nfs/dbraw/zinc/52/47/93/465524793.db2.gz OGBXZNGCGGYOPU-HXUWFJFHSA-N 2 1 326.488 2.355 10 30 EEEEMP C=CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662692900 472210422 /nfs/dbraw/zinc/21/04/22/472210422.db2.gz RHZPPNUOGVWXHJ-HXUWFJFHSA-N 2 1 343.471 2.198 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266550856 1176818447 /nfs/dbraw/zinc/81/84/47/1176818447.db2.gz FKEIAEYERMMSLL-QWNKOJSDSA-N 2 1 331.504 2.126 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266949443 1177874406 /nfs/dbraw/zinc/87/44/06/1177874406.db2.gz OTFVNEZNGOKBTF-UYAOXDASSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001267199233 1178479020 /nfs/dbraw/zinc/47/90/20/1178479020.db2.gz JXARYGOUARYDJB-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1C ZINC001267199233 1178479025 /nfs/dbraw/zinc/47/90/25/1178479025.db2.gz JXARYGOUARYDJB-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(Cl)cc1C ZINC001267199233 1178479034 /nfs/dbraw/zinc/47/90/34/1178479034.db2.gz JXARYGOUARYDJB-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(Cl)cc1C ZINC001267199233 1178479042 /nfs/dbraw/zinc/47/90/42/1178479042.db2.gz JXARYGOUARYDJB-SFHVURJKSA-N 2 1 347.890 2.294 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccccc1C#N ZINC001267340584 1178789619 /nfs/dbraw/zinc/78/96/19/1178789619.db2.gz NLQKAFUUQYFLDL-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001480951165 1179115912 /nfs/dbraw/zinc/11/59/12/1179115912.db2.gz QBNYHDVFXMEHTP-UHFFFAOYSA-N 2 1 341.499 2.197 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001481354526 1181106301 /nfs/dbraw/zinc/10/63/01/1181106301.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 2 1 339.499 2.439 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001481354526 1181106308 /nfs/dbraw/zinc/10/63/08/1181106308.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 2 1 339.499 2.439 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001481354526 1181106311 /nfs/dbraw/zinc/10/63/11/1181106311.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 2 1 339.499 2.439 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496148 1181564128 /nfs/dbraw/zinc/56/41/28/1181564128.db2.gz HTNYZFAOWACGEW-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496148 1181564134 /nfs/dbraw/zinc/56/41/34/1181564134.db2.gz HTNYZFAOWACGEW-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268542092 1183213619 /nfs/dbraw/zinc/21/36/19/1183213619.db2.gz OSWJHPCHILGYID-IDOMTICXSA-N 2 1 346.500 2.255 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001269575200 1184404580 /nfs/dbraw/zinc/40/45/80/1184404580.db2.gz RNZLZYJXASNCAL-QBUWPKIASA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001270427557 1185093771 /nfs/dbraw/zinc/09/37/71/1185093771.db2.gz OLCCMKICOWOMMI-WMZOPIPTSA-N 2 1 331.504 2.006 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001270427557 1185093775 /nfs/dbraw/zinc/09/37/75/1185093775.db2.gz OLCCMKICOWOMMI-WMZOPIPTSA-N 2 1 331.504 2.006 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482454553 1185867187 /nfs/dbraw/zinc/86/71/87/1185867187.db2.gz CWADIHOYIBRTDW-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271102084 1185887247 /nfs/dbraw/zinc/88/72/47/1185887247.db2.gz XELKZMUIRSSLER-LSDHHAIUSA-N 2 1 331.451 2.366 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001482649296 1187479776 /nfs/dbraw/zinc/47/97/76/1187479776.db2.gz CEECXKKQAWIXPT-GOSISDBHSA-N 2 1 341.499 2.483 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001485883117 1193628950 /nfs/dbraw/zinc/62/89/50/1193628950.db2.gz ONAZYPWEWWKZGE-KBPBESRZSA-N 2 1 346.313 2.206 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001409580477 1190065967 /nfs/dbraw/zinc/06/59/67/1190065967.db2.gz QUZBSPLVWHSDFO-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001409580477 1190065970 /nfs/dbraw/zinc/06/59/70/1190065970.db2.gz QUZBSPLVWHSDFO-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001409580477 1190065976 /nfs/dbraw/zinc/06/59/76/1190065976.db2.gz QUZBSPLVWHSDFO-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001409580477 1190065982 /nfs/dbraw/zinc/06/59/82/1190065982.db2.gz QUZBSPLVWHSDFO-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484168371 1191255188 /nfs/dbraw/zinc/25/51/88/1191255188.db2.gz XGLCYVBSPCBCGX-AZUAARDMSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484168371 1191255190 /nfs/dbraw/zinc/25/51/90/1191255190.db2.gz XGLCYVBSPCBCGX-AZUAARDMSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484168371 1191255191 /nfs/dbraw/zinc/25/51/91/1191255191.db2.gz XGLCYVBSPCBCGX-AZUAARDMSA-N 2 1 333.520 2.350 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484545510 1191407844 /nfs/dbraw/zinc/40/78/44/1191407844.db2.gz QRYGMTCIMFFJIW-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484987616 1191603703 /nfs/dbraw/zinc/60/37/03/1191603703.db2.gz DEAPVXXWSJWLOI-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485076577 1191645184 /nfs/dbraw/zinc/64/51/84/1191645184.db2.gz JRHIOLQGWZSLNL-LJQANCHMSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001485251776 1191704126 /nfs/dbraw/zinc/70/41/26/1191704126.db2.gz MTHBNEUMYRDZGJ-KRWDZBQOSA-N 2 1 347.507 2.440 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001485251776 1191704128 /nfs/dbraw/zinc/70/41/28/1191704128.db2.gz MTHBNEUMYRDZGJ-KRWDZBQOSA-N 2 1 347.507 2.440 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485476437 1191804821 /nfs/dbraw/zinc/80/48/21/1191804821.db2.gz LKKXACCQJKPSCL-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485476437 1191804822 /nfs/dbraw/zinc/80/48/22/1191804822.db2.gz LKKXACCQJKPSCL-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001486187948 1193730286 /nfs/dbraw/zinc/73/02/86/1193730286.db2.gz CCPYBDOZPGOBJP-VQTJNVASSA-N 2 1 341.499 2.201 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001411199471 1198907284 /nfs/dbraw/zinc/90/72/84/1198907284.db2.gz OFHUIFGYXYBORR-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411199471 1198907286 /nfs/dbraw/zinc/90/72/86/1198907286.db2.gz OFHUIFGYXYBORR-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001411199471 1198907288 /nfs/dbraw/zinc/90/72/88/1198907288.db2.gz OFHUIFGYXYBORR-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274096507 1204368670 /nfs/dbraw/zinc/36/86/70/1204368670.db2.gz GAOVPBZOUVPRLE-NJGOIUGXSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274096507 1204368674 /nfs/dbraw/zinc/36/86/74/1204368674.db2.gz GAOVPBZOUVPRLE-NJGOIUGXSA-N 2 1 343.446 2.246 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609035 1205095465 /nfs/dbraw/zinc/09/54/65/1205095465.db2.gz HUOJNGLHFUXAOX-PHWHVTFISA-N 2 1 340.471 2.195 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571892 1205422713 /nfs/dbraw/zinc/42/27/13/1205422713.db2.gz RYDJEMMMGMQERS-CVEARBPZSA-N 2 1 333.451 2.000 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001491018791 1258574582 /nfs/dbraw/zinc/57/45/82/1258574582.db2.gz QPSXKHJNQKCZHU-ZGXWSNOMSA-N 2 1 339.483 2.005 10 30 EEEEMP C=CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214392 1258779814 /nfs/dbraw/zinc/77/98/14/1258779814.db2.gz PUHIKTQOCKUMHJ-GOSISDBHSA-N 2 1 349.519 2.036 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC001491486787 1259136395 /nfs/dbraw/zinc/13/63/95/1259136395.db2.gz PBAJGPPHXSQNRQ-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC001491486787 1259136399 /nfs/dbraw/zinc/13/63/99/1259136399.db2.gz PBAJGPPHXSQNRQ-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000859213538 1294350612 /nfs/dbraw/zinc/35/06/12/1294350612.db2.gz PMQOOLJZVFEPKT-IBGZPJMESA-N 2 1 345.487 2.251 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001277393197 1302814775 /nfs/dbraw/zinc/81/47/75/1302814775.db2.gz GIXXUKHTFWNWDV-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001277393197 1302814789 /nfs/dbraw/zinc/81/47/89/1302814789.db2.gz GIXXUKHTFWNWDV-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001277393197 1302814803 /nfs/dbraw/zinc/81/48/03/1302814803.db2.gz GIXXUKHTFWNWDV-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786033 1304483500 /nfs/dbraw/zinc/48/35/00/1304483500.db2.gz SBJIXMYLRCWHSU-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786033 1304483503 /nfs/dbraw/zinc/48/35/03/1304483503.db2.gz SBJIXMYLRCWHSU-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799486933 1305275833 /nfs/dbraw/zinc/27/58/33/1305275833.db2.gz VOUFYJIWSDRLTI-GOSISDBHSA-N 2 1 344.503 2.196 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799486933 1305275839 /nfs/dbraw/zinc/27/58/39/1305275839.db2.gz VOUFYJIWSDRLTI-GOSISDBHSA-N 2 1 344.503 2.196 10 30 EEEEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824038 1323403007 /nfs/dbraw/zinc/40/30/07/1323403007.db2.gz OTLWTQKKRTXPFU-HOTGVXAUSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(Br)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266053957 1323605319 /nfs/dbraw/zinc/60/53/19/1323605319.db2.gz CWWWUEHMMVEPNK-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266053957 1323605323 /nfs/dbraw/zinc/60/53/23/1323605323.db2.gz CWWWUEHMMVEPNK-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266053957 1323605305 /nfs/dbraw/zinc/60/53/05/1323605305.db2.gz CWWWUEHMMVEPNK-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(Br)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266053957 1323605314 /nfs/dbraw/zinc/60/53/14/1323605314.db2.gz CWWWUEHMMVEPNK-CQSZACIVSA-N 2 1 346.313 2.208 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001280340153 1324162485 /nfs/dbraw/zinc/16/24/85/1324162485.db2.gz IMVGWERJRKFZLI-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001280340153 1324162489 /nfs/dbraw/zinc/16/24/89/1324162489.db2.gz IMVGWERJRKFZLI-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281776332 1325448966 /nfs/dbraw/zinc/44/89/66/1325448966.db2.gz LZLVEUHFYFFOSJ-QFBILLFUSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001281776332 1325448968 /nfs/dbraw/zinc/44/89/68/1325448968.db2.gz LZLVEUHFYFFOSJ-QFBILLFUSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001281776332 1325448974 /nfs/dbraw/zinc/44/89/74/1325448974.db2.gz LZLVEUHFYFFOSJ-QFBILLFUSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001281776332 1325449002 /nfs/dbraw/zinc/44/90/02/1325449002.db2.gz LZLVEUHFYFFOSJ-QFBILLFUSA-N 2 1 327.472 2.230 10 30 EEEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282066412 1325607039 /nfs/dbraw/zinc/60/70/39/1325607039.db2.gz IWNHORNKCZONBL-NKELODKYSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]Cc1ccccc1)C(C)C ZINC001283449288 1326076090 /nfs/dbraw/zinc/07/60/90/1326076090.db2.gz AOFJHNBMKNINQR-UXHICEINSA-N 2 1 341.499 2.405 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]Cc1ccccc1)C(C)C ZINC001283449288 1326076094 /nfs/dbraw/zinc/07/60/94/1326076094.db2.gz AOFJHNBMKNINQR-UXHICEINSA-N 2 1 341.499 2.405 10 30 EEEEMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001284814777 1326726678 /nfs/dbraw/zinc/72/66/78/1326726678.db2.gz CCLFMAFXXSJIDW-ACBHZAAOSA-N 2 1 327.472 2.282 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001316755565 1331875088 /nfs/dbraw/zinc/87/50/88/1331875088.db2.gz IFQDBMJUQKDNAC-OKYOBFRVSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001316755565 1331875090 /nfs/dbraw/zinc/87/50/90/1331875090.db2.gz IFQDBMJUQKDNAC-OKYOBFRVSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001316755565 1331875097 /nfs/dbraw/zinc/87/50/97/1331875097.db2.gz IFQDBMJUQKDNAC-OKYOBFRVSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873976 1331943446 /nfs/dbraw/zinc/94/34/46/1331943446.db2.gz IVGRJHYCWTXKQH-WMLDXEAASA-N 2 1 334.464 2.285 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099288 1332078556 /nfs/dbraw/zinc/07/85/56/1332078556.db2.gz AGZNWSCESWJHQF-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317431630 1332235573 /nfs/dbraw/zinc/23/55/73/1332235573.db2.gz KYNWAWPGWUMDTR-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317431630 1332235574 /nfs/dbraw/zinc/23/55/74/1332235574.db2.gz KYNWAWPGWUMDTR-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317794523 1332411912 /nfs/dbraw/zinc/41/19/12/1332411912.db2.gz CWZODNKLQCJJSN-SFHVURJKSA-N 2 1 341.499 2.256 10 30 EEEEMP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001318408359 1332527317 /nfs/dbraw/zinc/52/73/17/1332527317.db2.gz WSXQLWSPFLIVBM-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001318408359 1332527320 /nfs/dbraw/zinc/52/73/20/1332527320.db2.gz WSXQLWSPFLIVBM-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318408359 1332527323 /nfs/dbraw/zinc/52/73/23/1332527323.db2.gz WSXQLWSPFLIVBM-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318408359 1332527328 /nfs/dbraw/zinc/52/73/28/1332527328.db2.gz WSXQLWSPFLIVBM-FQEVSTJZSA-N 2 1 339.483 2.055 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001322662752 1333303216 /nfs/dbraw/zinc/30/32/16/1333303216.db2.gz SUJKPYSQDRAYGV-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001324339456 1333661199 /nfs/dbraw/zinc/66/11/99/1333661199.db2.gz FORMNVRDOSUVOO-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001324935347 1333790599 /nfs/dbraw/zinc/79/05/99/1333790599.db2.gz CYNSZWCVYHZUCY-IBGZPJMESA-N 2 1 330.476 2.166 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001325006069 1333806383 /nfs/dbraw/zinc/80/63/83/1333806383.db2.gz YJPPPUKQSMMNET-QGZVFWFLSA-N 2 1 337.508 2.082 10 30 EEEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001325560461 1333911804 /nfs/dbraw/zinc/91/18/04/1333911804.db2.gz BUPJLOZZBKFPPF-MJGOQNOKSA-N 2 1 329.488 2.031 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)CO2 ZINC001327410423 1334286945 /nfs/dbraw/zinc/28/69/45/1334286945.db2.gz AEVGIFUHIIHWAL-QZTJIDSGSA-N 2 1 349.519 2.177 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001331043362 1334952131 /nfs/dbraw/zinc/95/21/31/1334952131.db2.gz BSKFVHPKQYRGCL-HXUWFJFHSA-N 2 1 339.483 2.055 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001339719718 1337060081 /nfs/dbraw/zinc/06/00/81/1337060081.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 2 1 346.523 2.050 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001339719718 1337060082 /nfs/dbraw/zinc/06/00/82/1337060082.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 2 1 346.523 2.050 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001339719718 1337060088 /nfs/dbraw/zinc/06/00/88/1337060088.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 2 1 346.523 2.050 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001567183753 1342706724 /nfs/dbraw/zinc/70/67/24/1342706724.db2.gz NOWQZRNGQMZPJH-UHFFFAOYSA-N 2 1 329.488 2.046 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](Cc1cccc(C)c1)C1CC1 ZINC001567442799 1342761580 /nfs/dbraw/zinc/76/15/80/1342761580.db2.gz QIJWKGXMMQVECW-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1 ZINC001567442799 1342761585 /nfs/dbraw/zinc/76/15/85/1342761585.db2.gz QIJWKGXMMQVECW-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1cccc(C)c1)C1CC1 ZINC001567442799 1342761589 /nfs/dbraw/zinc/76/15/89/1342761589.db2.gz QIJWKGXMMQVECW-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1cccc(C)c1)C1CC1 ZINC001567442799 1342761596 /nfs/dbraw/zinc/76/15/96/1342761596.db2.gz QIJWKGXMMQVECW-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC/C=C/CCC)C[C@@H]2C1 ZINC001569877172 1342966659 /nfs/dbraw/zinc/96/66/59/1342966659.db2.gz FFWDTWSMSCUKEM-RGOVZJGCSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC/C=C/CCC)C[C@@H]2C1 ZINC001569877172 1342966660 /nfs/dbraw/zinc/96/66/60/1342966660.db2.gz FFWDTWSMSCUKEM-RGOVZJGCSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C/CCC)C[C@@H]2C1 ZINC001569877172 1342966663 /nfs/dbraw/zinc/96/66/63/1342966663.db2.gz FFWDTWSMSCUKEM-RGOVZJGCSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C/CCC)C[C@@H]2C1 ZINC001569877172 1342966664 /nfs/dbraw/zinc/96/66/64/1342966664.db2.gz FFWDTWSMSCUKEM-RGOVZJGCSA-N 2 1 343.515 2.221 10 30 EEEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570722549 1343107173 /nfs/dbraw/zinc/10/71/73/1343107173.db2.gz XCAVCLQBIKNOLB-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878631 1357229804 /nfs/dbraw/zinc/22/98/04/1357229804.db2.gz ISQSYOCGEIEAPS-ZWKOTPCHSA-N 2 1 336.524 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878631 1357229808 /nfs/dbraw/zinc/22/98/08/1357229808.db2.gz ISQSYOCGEIEAPS-ZWKOTPCHSA-N 2 1 336.524 2.140 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238603 1357299242 /nfs/dbraw/zinc/29/92/42/1357299242.db2.gz WRSJWEFEEIYWAX-RBUKOAKNSA-N 2 1 341.499 2.253 10 30 EEEEMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001634641136 1352633397 /nfs/dbraw/zinc/63/33/97/1352633397.db2.gz XLAQPWKWAUBIRB-LJQANCHMSA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001634641136 1352633400 /nfs/dbraw/zinc/63/34/00/1352633400.db2.gz XLAQPWKWAUBIRB-LJQANCHMSA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001634641136 1352633405 /nfs/dbraw/zinc/63/34/05/1352633405.db2.gz XLAQPWKWAUBIRB-LJQANCHMSA-N 2 1 344.503 2.402 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001634641136 1352633409 /nfs/dbraw/zinc/63/34/09/1352633409.db2.gz XLAQPWKWAUBIRB-LJQANCHMSA-N 2 1 344.503 2.402 10 30 EEEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001660558054 1354489493 /nfs/dbraw/zinc/48/94/93/1354489493.db2.gz UCRXDQUQJKYYQR-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001661169183 1354599960 /nfs/dbraw/zinc/59/99/60/1354599960.db2.gz VRQUJQFEUSHYSV-HSALFYBXSA-N 2 1 341.499 2.392 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001661881089 1354717063 /nfs/dbraw/zinc/71/70/63/1354717063.db2.gz SFMXZLXZSPFTNN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001661881089 1354717064 /nfs/dbraw/zinc/71/70/64/1354717064.db2.gz SFMXZLXZSPFTNN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001662827267 1354856196 /nfs/dbraw/zinc/85/61/96/1354856196.db2.gz CCAMGXCJVVZACB-ROUUACIJSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001662827267 1354856199 /nfs/dbraw/zinc/85/61/99/1354856199.db2.gz CCAMGXCJVVZACB-ROUUACIJSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001662827267 1354856202 /nfs/dbraw/zinc/85/62/02/1354856202.db2.gz CCAMGXCJVVZACB-ROUUACIJSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001662827267 1354856204 /nfs/dbraw/zinc/85/62/04/1354856204.db2.gz CCAMGXCJVVZACB-ROUUACIJSA-N 2 1 339.524 2.210 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760357 1355227139 /nfs/dbraw/zinc/22/71/39/1355227139.db2.gz QOAQMWYDNLXDTL-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760357 1355227142 /nfs/dbraw/zinc/22/71/42/1355227142.db2.gz QOAQMWYDNLXDTL-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC[NH+](CCC)CC1 ZINC001671491426 1356349142 /nfs/dbraw/zinc/34/91/42/1356349142.db2.gz AUFKXDFPOJMXGD-QGZVFWFLSA-N 2 1 342.487 2.090 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001672233485 1356485056 /nfs/dbraw/zinc/48/50/56/1356485056.db2.gz BSWWPFYKMVTPBR-CVEARBPZSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCC=C)C[C@H]32)CC1 ZINC001672567282 1356556337 /nfs/dbraw/zinc/55/63/37/1356556337.db2.gz BHGDAXBJVHBCMW-VQTJNVASSA-N 2 1 343.515 2.221 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001675360066 1356970333 /nfs/dbraw/zinc/97/03/33/1356970333.db2.gz RLIVWHLHSMIDCJ-PXNSSMCTSA-N 2 1 341.499 2.061 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001675642195 1357025679 /nfs/dbraw/zinc/02/56/79/1357025679.db2.gz GFKHXRXPPMZGLP-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001675642195 1357025683 /nfs/dbraw/zinc/02/56/83/1357025683.db2.gz GFKHXRXPPMZGLP-BZSNNMDCSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001692329690 1405003463 /nfs/dbraw/zinc/00/34/63/1405003463.db2.gz LMEHTZBOEUWJRR-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743527 779230889 /nfs/dbraw/zinc/23/08/89/779230889.db2.gz CCPHQIVFQIRMCZ-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743527 779230893 /nfs/dbraw/zinc/23/08/93/779230893.db2.gz CCPHQIVFQIRMCZ-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743527 779230898 /nfs/dbraw/zinc/23/08/98/779230898.db2.gz CCPHQIVFQIRMCZ-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C(C)(C)C1 ZINC000940986619 779668702 /nfs/dbraw/zinc/66/87/02/779668702.db2.gz JTWFBRTUXMBHED-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986619 779668705 /nfs/dbraw/zinc/66/87/05/779668705.db2.gz JTWFBRTUXMBHED-NVXWUHKLSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166933 780064900 /nfs/dbraw/zinc/06/49/00/780064900.db2.gz MJENWWRNEWAQMQ-CQSZACIVSA-N 2 1 325.884 2.051 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166933 780064907 /nfs/dbraw/zinc/06/49/07/780064907.db2.gz MJENWWRNEWAQMQ-CQSZACIVSA-N 2 1 325.884 2.051 10 30 EEEEMP C#C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000847027805 790842016 /nfs/dbraw/zinc/84/20/16/790842016.db2.gz XAUNNXCRJPXNEA-SFHVURJKSA-N 2 1 339.483 2.244 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516267 1125688140 /nfs/dbraw/zinc/68/81/40/1125688140.db2.gz FJGFBWZTPZTRCO-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001566516267 1125688143 /nfs/dbraw/zinc/68/81/43/1125688143.db2.gz FJGFBWZTPZTRCO-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001566516267 1125688147 /nfs/dbraw/zinc/68/81/47/1125688147.db2.gz FJGFBWZTPZTRCO-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CCC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566596320 1125786956 /nfs/dbraw/zinc/78/69/56/1125786956.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001566596320 1125787009 /nfs/dbraw/zinc/78/70/09/1125787009.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001566596320 1125787015 /nfs/dbraw/zinc/78/70/15/1125787015.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001437163591 1089178147 /nfs/dbraw/zinc/17/81/47/1089178147.db2.gz NAXYLGCVDPDIGU-ZIAGYGMSSA-N 2 1 346.313 2.110 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001438343530 1090820319 /nfs/dbraw/zinc/82/03/19/1090820319.db2.gz NREVDKVCAGHJSD-ZWKOTPCHSA-N 2 1 346.450 2.166 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413421 1092182545 /nfs/dbraw/zinc/18/25/45/1092182545.db2.gz YROOAYRRBHAMCI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413421 1092182548 /nfs/dbraw/zinc/18/25/48/1092182548.db2.gz YROOAYRRBHAMCI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001439413421 1092182551 /nfs/dbraw/zinc/18/25/51/1092182551.db2.gz YROOAYRRBHAMCI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001439413421 1092182552 /nfs/dbraw/zinc/18/25/52/1092182552.db2.gz YROOAYRRBHAMCI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001443882187 1098408625 /nfs/dbraw/zinc/40/86/25/1098408625.db2.gz SNJVRPACCQKJRU-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001443882187 1098408627 /nfs/dbraw/zinc/40/86/27/1098408627.db2.gz SNJVRPACCQKJRU-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001443882187 1098408636 /nfs/dbraw/zinc/40/86/36/1098408636.db2.gz SNJVRPACCQKJRU-LJQANCHMSA-N 2 1 342.487 2.321 10 30 EEEEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001479640674 1098670605 /nfs/dbraw/zinc/67/06/05/1098670605.db2.gz VAXLZVDYSNZOKK-RBUKOAKNSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479735670 1098842077 /nfs/dbraw/zinc/84/20/77/1098842077.db2.gz YXURIYNXAZNGFC-IRXDYDNUSA-N 2 1 339.911 2.394 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479735670 1098842082 /nfs/dbraw/zinc/84/20/82/1098842082.db2.gz YXURIYNXAZNGFC-IRXDYDNUSA-N 2 1 339.911 2.394 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481009 1100289284 /nfs/dbraw/zinc/28/92/84/1100289284.db2.gz UZGLLXKUPSNZIN-UONOGXRCSA-N 2 1 334.489 2.088 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495779534 1101583636 /nfs/dbraw/zinc/58/36/36/1101583636.db2.gz QMZLYEQBWPHRAN-MRXNPFEDSA-N 2 1 349.906 2.375 10 30 EEEEMP C=C(Br)CN1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001447300137 1102402459 /nfs/dbraw/zinc/40/24/59/1102402459.db2.gz JTVMHMRFXFCKIS-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001447300137 1102402464 /nfs/dbraw/zinc/40/24/64/1102402464.db2.gz JTVMHMRFXFCKIS-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001447300137 1102402467 /nfs/dbraw/zinc/40/24/67/1102402467.db2.gz JTVMHMRFXFCKIS-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001447300137 1102402471 /nfs/dbraw/zinc/40/24/71/1102402471.db2.gz JTVMHMRFXFCKIS-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)ccc1C ZINC001497402708 1102435269 /nfs/dbraw/zinc/43/52/69/1102435269.db2.gz CVXIQBTZDXRHEL-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)ccc1C ZINC001497402708 1102435273 /nfs/dbraw/zinc/43/52/73/1102435273.db2.gz CVXIQBTZDXRHEL-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001497830117 1103162323 /nfs/dbraw/zinc/16/23/23/1103162323.db2.gz ONOLFGHUPUONAV-PBHICJAKSA-N 2 1 349.425 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001497830117 1103162329 /nfs/dbraw/zinc/16/23/29/1103162329.db2.gz ONOLFGHUPUONAV-PBHICJAKSA-N 2 1 349.425 2.316 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447870847 1103484199 /nfs/dbraw/zinc/48/41/99/1103484199.db2.gz QQCILKAESUUANI-ZIAGYGMSSA-N 2 1 346.450 2.164 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001494205599 1103693850 /nfs/dbraw/zinc/69/38/50/1103693850.db2.gz OSIXCLKFFXUAPH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001494205599 1103693853 /nfs/dbraw/zinc/69/38/53/1103693853.db2.gz OSIXCLKFFXUAPH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001494205599 1103693858 /nfs/dbraw/zinc/69/38/58/1103693858.db2.gz OSIXCLKFFXUAPH-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498042199 1106821512 /nfs/dbraw/zinc/82/15/12/1106821512.db2.gz LCJDDMQYAXFQDS-KBXCAEBGSA-N 2 1 346.450 2.164 10 30 EEEEMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480729015 1106988928 /nfs/dbraw/zinc/98/89/28/1106988928.db2.gz CEBZBMNEKMCHRM-VQTJNVASSA-N 2 1 341.499 2.301 10 30 EEEEMP C=C(C)C[N@@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001493415209 1108112863 /nfs/dbraw/zinc/11/28/63/1108112863.db2.gz WUHKSYVJZJMJNX-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(C)C[NH+](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001493415209 1108112865 /nfs/dbraw/zinc/11/28/65/1108112865.db2.gz WUHKSYVJZJMJNX-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(C)C[NH+](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001493415209 1108112866 /nfs/dbraw/zinc/11/28/66/1108112866.db2.gz WUHKSYVJZJMJNX-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067499 1108533688 /nfs/dbraw/zinc/53/36/88/1108533688.db2.gz WZSGRLLVBUIKGW-CVEARBPZSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067499 1108533695 /nfs/dbraw/zinc/53/36/95/1108533695.db2.gz WZSGRLLVBUIKGW-CVEARBPZSA-N 2 1 346.475 2.429 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001499461288 1112297895 /nfs/dbraw/zinc/29/78/95/1112297895.db2.gz HCKUXZASANELFW-IYBDPMFKSA-N 2 1 340.471 2.169 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001499461288 1112297897 /nfs/dbraw/zinc/29/78/97/1112297897.db2.gz HCKUXZASANELFW-IYBDPMFKSA-N 2 1 340.471 2.169 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001499530544 1112346635 /nfs/dbraw/zinc/34/66/35/1112346635.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001499530544 1112346639 /nfs/dbraw/zinc/34/66/39/1112346639.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001499530544 1112346643 /nfs/dbraw/zinc/34/66/43/1112346643.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001501235027 1113255336 /nfs/dbraw/zinc/25/53/36/1113255336.db2.gz BEEAHBZLPHPAHO-GBESFXJTSA-N 2 1 333.520 2.463 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651407 1113416169 /nfs/dbraw/zinc/41/61/69/1113416169.db2.gz OOWCTFRQBVBYQV-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001502459957 1113692283 /nfs/dbraw/zinc/69/22/83/1113692283.db2.gz MTXNIERIPJCXRN-QZTJIDSGSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001502459957 1113692285 /nfs/dbraw/zinc/69/22/85/1113692285.db2.gz MTXNIERIPJCXRN-QZTJIDSGSA-N 2 1 349.519 2.033 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503689990 1113898898 /nfs/dbraw/zinc/89/88/98/1113898898.db2.gz CPDKZNNTUOZGJG-WOJBJXKFSA-N 2 1 341.499 2.312 10 30 EEEEMP C=CC[N@@H+]1CCOC2(CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001503736169 1113904001 /nfs/dbraw/zinc/90/40/01/1113904001.db2.gz SCXRSTBCIKTBHU-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C=CC[N@H+]1CCOC2(CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001503736169 1113904004 /nfs/dbraw/zinc/90/40/04/1113904004.db2.gz SCXRSTBCIKTBHU-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001505397428 1113934576 /nfs/dbraw/zinc/93/45/76/1113934576.db2.gz FXGNOAQPXWQOGZ-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001505397428 1113934578 /nfs/dbraw/zinc/93/45/78/1113934578.db2.gz FXGNOAQPXWQOGZ-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001505397428 1113934580 /nfs/dbraw/zinc/93/45/80/1113934580.db2.gz FXGNOAQPXWQOGZ-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001507291256 1115176984 /nfs/dbraw/zinc/17/69/84/1115176984.db2.gz ZIHFMUDBKORYRY-MAUKXSAKSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001569121802 1125110549 /nfs/dbraw/zinc/11/05/49/1125110549.db2.gz PVKQWCAYPDLNAW-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001569121802 1125110554 /nfs/dbraw/zinc/11/05/54/1125110554.db2.gz PVKQWCAYPDLNAW-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001569121802 1125110561 /nfs/dbraw/zinc/11/05/61/1125110561.db2.gz PVKQWCAYPDLNAW-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001569121802 1125110565 /nfs/dbraw/zinc/11/05/65/1125110565.db2.gz PVKQWCAYPDLNAW-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001569152518 1125131196 /nfs/dbraw/zinc/13/11/96/1125131196.db2.gz CLKXUIGKLGEJOH-QGZVFWFLSA-N 2 1 333.520 2.348 10 30 EEEEMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131479179 529866807 /nfs/dbraw/zinc/86/68/07/529866807.db2.gz DIQBOPJCJQQSDJ-SFHVURJKSA-N 2 1 334.508 2.337 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022463 285278721 /nfs/dbraw/zinc/27/87/21/285278721.db2.gz YJFBKJUNSDIMFL-BZSNNMDCSA-N 2 1 349.523 2.126 10 30 EEEEMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000425538931 467107120 /nfs/dbraw/zinc/10/71/20/467107120.db2.gz SURSIJKZSJICRW-HNNXBMFYSA-N 2 1 340.471 2.294 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441085 468589618 /nfs/dbraw/zinc/58/96/18/468589618.db2.gz MMDSUNHUAZVVTO-MOPGFXCFSA-N 2 1 342.487 2.426 10 30 EEEEMP CN(CCC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415836 469248852 /nfs/dbraw/zinc/24/88/52/469248852.db2.gz DDPMTZQGPGWEPK-QGZVFWFLSA-N 2 1 349.475 2.105 10 30 EEEEMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)CC1 ZINC000093132887 529152464 /nfs/dbraw/zinc/15/24/64/529152464.db2.gz GJJYYRILEHEHRU-HKUYNNGSSA-N 2 1 342.487 2.189 10 30 EEEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCc2ccccc2C1 ZINC000262419746 685856827 /nfs/dbraw/zinc/85/68/27/685856827.db2.gz DWAUBJCHCAMUDC-IEBWSBKVSA-N 2 1 346.544 2.146 10 30 EEEEMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262432386 686048957 /nfs/dbraw/zinc/04/89/57/686048957.db2.gz FJSCBRQDDLVMLN-DLBZAZTESA-N 2 1 346.523 2.049 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748160 1191930366 /nfs/dbraw/zinc/93/03/66/1191930366.db2.gz KVXYWXDMSCCSGC-HOCLYGCPSA-N 2 1 346.450 2.024 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485766785 1191941139 /nfs/dbraw/zinc/94/11/39/1191941139.db2.gz KDHLRRBLNOKCTA-UHFFFAOYSA-N 2 1 339.483 2.057 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCCC)CC1 ZINC001266495577 1176637754 /nfs/dbraw/zinc/63/77/54/1176637754.db2.gz PGBMBQCKXWFEOT-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266527222 1176744254 /nfs/dbraw/zinc/74/42/54/1176744254.db2.gz KINHROHJCRHGKX-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001670588095 1176931823 /nfs/dbraw/zinc/93/18/23/1176931823.db2.gz MMBWNRSDSRNAMU-ZWKOTPCHSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266878903 1177691300 /nfs/dbraw/zinc/69/13/00/1177691300.db2.gz MMDVAXXZNOCYBE-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001267232581 1178557950 /nfs/dbraw/zinc/55/79/50/1178557950.db2.gz JJKFYHQSGUJMIE-UHFFFAOYSA-N 2 1 345.462 2.027 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267476357 1179112881 /nfs/dbraw/zinc/11/28/81/1179112881.db2.gz ZZGAERNBTUNIFF-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267476357 1179112886 /nfs/dbraw/zinc/11/28/86/1179112886.db2.gz ZZGAERNBTUNIFF-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267476357 1179112890 /nfs/dbraw/zinc/11/28/90/1179112890.db2.gz ZZGAERNBTUNIFF-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001267628049 1180022521 /nfs/dbraw/zinc/02/25/21/1180022521.db2.gz MODLWGTZKPOKLZ-QYZOEREBSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001481242745 1180418439 /nfs/dbraw/zinc/41/84/39/1180418439.db2.gz UWHFKRLZYGABMW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001481242745 1180418444 /nfs/dbraw/zinc/41/84/44/1180418444.db2.gz UWHFKRLZYGABMW-YJBOKZPZSA-N 2 1 331.435 2.032 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791716 1180540389 /nfs/dbraw/zinc/54/03/89/1180540389.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791716 1180540396 /nfs/dbraw/zinc/54/03/96/1180540396.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791716 1180540398 /nfs/dbraw/zinc/54/03/98/1180540398.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001481342053 1181072759 /nfs/dbraw/zinc/07/27/59/1181072759.db2.gz CKEAQLDYECCSSH-APWZRJJASA-N 2 1 327.472 2.139 10 30 EEEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001268134421 1181788839 /nfs/dbraw/zinc/78/88/39/1181788839.db2.gz JDAORAQXKWQHKT-MJGOQNOKSA-N 2 1 329.488 2.174 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC001268798971 1183719228 /nfs/dbraw/zinc/71/92/28/1183719228.db2.gz RWJXKKOZWYXTID-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC001268798971 1183719233 /nfs/dbraw/zinc/71/92/33/1183719233.db2.gz RWJXKKOZWYXTID-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCC1 ZINC001269549398 1184372721 /nfs/dbraw/zinc/37/27/21/1184372721.db2.gz NIOGUVAOKXBLTP-INIZCTEOSA-N 2 1 330.476 2.439 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001269552404 1184378281 /nfs/dbraw/zinc/37/82/81/1184378281.db2.gz CGARBXQATXIUBY-MOPGFXCFSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552404 1184378286 /nfs/dbraw/zinc/37/82/86/1184378286.db2.gz CGARBXQATXIUBY-MOPGFXCFSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552404 1184378292 /nfs/dbraw/zinc/37/82/92/1184378292.db2.gz CGARBXQATXIUBY-MOPGFXCFSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001269592935 1184416682 /nfs/dbraw/zinc/41/66/82/1184416682.db2.gz IEXLZMCERAFLOX-IKGGRYGDSA-N 2 1 325.472 2.308 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001269645174 1184466678 /nfs/dbraw/zinc/46/66/78/1184466678.db2.gz LYUVSRIRXDNJAP-OAQYLSRUSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001269798088 1184626874 /nfs/dbraw/zinc/62/68/74/1184626874.db2.gz HLDPGOFREFSXGF-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001270237892 1184949430 /nfs/dbraw/zinc/94/94/30/1184949430.db2.gz YUHHFQWRPFLVQH-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397632 1185606989 /nfs/dbraw/zinc/60/69/89/1185606989.db2.gz BVSVYYINRALYLA-WOJBJXKFSA-N 2 1 341.499 2.110 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001271181604 1186063463 /nfs/dbraw/zinc/06/34/63/1186063463.db2.gz LSIPIXUOTWHSJV-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001271445935 1186232615 /nfs/dbraw/zinc/23/26/15/1186232615.db2.gz IVNTVFCEBADNQF-PXNSSMCTSA-N 2 1 341.499 2.361 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(CC)cc1 ZINC001482603299 1187347989 /nfs/dbraw/zinc/34/79/89/1187347989.db2.gz AGYYBOMYGCMQJB-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC001482603299 1187347992 /nfs/dbraw/zinc/34/79/92/1187347992.db2.gz AGYYBOMYGCMQJB-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(CC)cc1 ZINC001482603299 1187347995 /nfs/dbraw/zinc/34/79/95/1187347995.db2.gz AGYYBOMYGCMQJB-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CC)cc1 ZINC001482603299 1187348003 /nfs/dbraw/zinc/34/80/03/1187348003.db2.gz AGYYBOMYGCMQJB-FQEVSTJZSA-N 2 1 341.499 2.237 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]21 ZINC001272223727 1188379593 /nfs/dbraw/zinc/37/95/93/1188379593.db2.gz JABQHNZVDNCTOG-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001485887160 1193630005 /nfs/dbraw/zinc/63/00/05/1193630005.db2.gz SZMOQMDPADGYMI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001485887160 1193630007 /nfs/dbraw/zinc/63/00/07/1193630007.db2.gz SZMOQMDPADGYMI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386842 1191774337 /nfs/dbraw/zinc/77/43/37/1191774337.db2.gz AMFGYWLNPQHFRI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001485386842 1191774338 /nfs/dbraw/zinc/77/43/38/1191774338.db2.gz AMFGYWLNPQHFRI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001485386842 1191774339 /nfs/dbraw/zinc/77/43/39/1191774339.db2.gz AMFGYWLNPQHFRI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048503 1239616223 /nfs/dbraw/zinc/61/62/23/1239616223.db2.gz NSXOVUNCIGOZAK-DNVCBOLYSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852865514 1292220304 /nfs/dbraw/zinc/22/03/04/1292220304.db2.gz GBUMYLYOOOATMD-FXAWDEMLSA-N 2 1 339.483 2.159 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001276799117 1297873928 /nfs/dbraw/zinc/87/39/28/1297873928.db2.gz HMWJDZGVWOFOHK-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278549582 1317209447 /nfs/dbraw/zinc/20/94/47/1317209447.db2.gz BNEIKIZKNIHSES-OAQYLSRUSA-N 2 1 341.499 2.012 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283531 1323034382 /nfs/dbraw/zinc/03/43/82/1323034382.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283531 1323034388 /nfs/dbraw/zinc/03/43/88/1323034388.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283531 1323034394 /nfs/dbraw/zinc/03/43/94/1323034394.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001265655236 1323300285 /nfs/dbraw/zinc/30/02/85/1323300285.db2.gz CYCWCWUEYMNCLW-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC001279631158 1323965854 /nfs/dbraw/zinc/96/58/54/1323965854.db2.gz RZWOKYFGLWNBPY-NSHGMRRFSA-N 2 1 331.504 2.361 10 30 EEEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C1 ZINC001279631158 1323965856 /nfs/dbraw/zinc/96/58/56/1323965856.db2.gz RZWOKYFGLWNBPY-NSHGMRRFSA-N 2 1 331.504 2.361 10 30 EEEEMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@@H]2C1 ZINC001279631158 1323965858 /nfs/dbraw/zinc/96/58/58/1323965858.db2.gz RZWOKYFGLWNBPY-NSHGMRRFSA-N 2 1 331.504 2.361 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001280207392 1324114799 /nfs/dbraw/zinc/11/47/99/1324114799.db2.gz KKMBTYAXSCBBKE-RLLQIKCJSA-N 2 1 341.499 2.346 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001281559798 1325278117 /nfs/dbraw/zinc/27/81/17/1325278117.db2.gz YNAZBPABIHSUJB-QGZVFWFLSA-N 2 1 349.519 2.034 10 30 EEEEMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282496180 1325733280 /nfs/dbraw/zinc/73/32/80/1325733280.db2.gz XWSQWLMNTVVXHD-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282496180 1325733283 /nfs/dbraw/zinc/73/32/83/1325733283.db2.gz XWSQWLMNTVVXHD-MRXNPFEDSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001282667748 1325760922 /nfs/dbraw/zinc/76/09/22/1325760922.db2.gz RMKOFHHEBSNHDG-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C\CCC)C1 ZINC001491811481 1330278724 /nfs/dbraw/zinc/27/87/24/1330278724.db2.gz FDFYCPBJDXJXEF-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C\CCC)C1 ZINC001491811481 1330278727 /nfs/dbraw/zinc/27/87/27/1330278727.db2.gz FDFYCPBJDXJXEF-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001316713629 1331858757 /nfs/dbraw/zinc/85/87/57/1331858757.db2.gz GXVJKRHLAANKIO-NCXUSEDFSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001316805543 1331902829 /nfs/dbraw/zinc/90/28/29/1331902829.db2.gz FFTFRPKZSZPEOE-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CC)C2 ZINC001316805543 1331902833 /nfs/dbraw/zinc/90/28/33/1331902833.db2.gz FFTFRPKZSZPEOE-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001316825733 1331916421 /nfs/dbraw/zinc/91/64/21/1331916421.db2.gz UTFZXPMJHLBDQO-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001316825733 1331916423 /nfs/dbraw/zinc/91/64/23/1331916423.db2.gz UTFZXPMJHLBDQO-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001316825733 1331916427 /nfs/dbraw/zinc/91/64/27/1331916427.db2.gz UTFZXPMJHLBDQO-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317111708 1332084082 /nfs/dbraw/zinc/08/40/82/1332084082.db2.gz MXWGWOFWYMOUGI-ZCNNSNEGSA-N 2 1 339.483 2.149 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001317590373 1332312178 /nfs/dbraw/zinc/31/21/78/1332312178.db2.gz OUQQJUXSZXLRNG-RHSMWYFYSA-N 2 1 333.480 2.193 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001317590373 1332312181 /nfs/dbraw/zinc/31/21/81/1332312181.db2.gz OUQQJUXSZXLRNG-RHSMWYFYSA-N 2 1 333.480 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001317596782 1332317132 /nfs/dbraw/zinc/31/71/32/1332317132.db2.gz NOVQQTJFOQRURM-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001317596782 1332317135 /nfs/dbraw/zinc/31/71/35/1332317135.db2.gz NOVQQTJFOQRURM-PMACEKPBSA-N 2 1 339.483 2.210 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001319824891 1332777710 /nfs/dbraw/zinc/77/77/10/1332777710.db2.gz JCNZPULNRKXHST-CVEARBPZSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001319881631 1332791375 /nfs/dbraw/zinc/79/13/75/1332791375.db2.gz SKUGPBXKCHBXPL-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001319881631 1332791378 /nfs/dbraw/zinc/79/13/78/1332791378.db2.gz SKUGPBXKCHBXPL-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCCF)CC1 ZINC001319881631 1332791379 /nfs/dbraw/zinc/79/13/79/1332791379.db2.gz SKUGPBXKCHBXPL-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCCF)CC1 ZINC001319881631 1332791380 /nfs/dbraw/zinc/79/13/80/1332791380.db2.gz SKUGPBXKCHBXPL-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001324232416 1333639781 /nfs/dbraw/zinc/63/97/81/1333639781.db2.gz BKWQZPUNOGUHNW-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325055831 1333820712 /nfs/dbraw/zinc/82/07/12/1333820712.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325055831 1333820714 /nfs/dbraw/zinc/82/07/14/1333820714.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325055831 1333820719 /nfs/dbraw/zinc/82/07/19/1333820719.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001328766848 1334517635 /nfs/dbraw/zinc/51/76/35/1334517635.db2.gz ZUOPKXWFFMYJPE-MRXNPFEDSA-N 2 1 346.475 2.383 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001328766848 1334517636 /nfs/dbraw/zinc/51/76/36/1334517636.db2.gz ZUOPKXWFFMYJPE-MRXNPFEDSA-N 2 1 346.475 2.383 10 30 EEEEMP C=C(Cl)CN1CC=C(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333457711 1336051432 /nfs/dbraw/zinc/05/14/32/1336051432.db2.gz LIWHTKGJWATBBT-GASCZTMLSA-N 2 1 325.884 2.360 10 30 EEEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001566628888 1342585311 /nfs/dbraw/zinc/58/53/11/1342585311.db2.gz JTNJUJVKLIQZLW-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001566628888 1342585314 /nfs/dbraw/zinc/58/53/14/1342585314.db2.gz JTNJUJVKLIQZLW-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566628888 1342585318 /nfs/dbraw/zinc/58/53/18/1342585318.db2.gz JTNJUJVKLIQZLW-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001566628888 1342585322 /nfs/dbraw/zinc/58/53/22/1342585322.db2.gz JTNJUJVKLIQZLW-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568767094 1342850726 /nfs/dbraw/zinc/85/07/26/1342850726.db2.gz UYMSHVAHJQJVKG-INIZCTEOSA-N 2 1 334.489 2.042 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219866 1343034812 /nfs/dbraw/zinc/03/48/12/1343034812.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001570219866 1343034818 /nfs/dbraw/zinc/03/48/18/1343034818.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001570219866 1343034824 /nfs/dbraw/zinc/03/48/24/1343034824.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001676364966 1357140929 /nfs/dbraw/zinc/14/09/29/1357140929.db2.gz PWISVUHIEMCFCL-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001676364966 1357140930 /nfs/dbraw/zinc/14/09/30/1357140930.db2.gz PWISVUHIEMCFCL-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001676989990 1357256328 /nfs/dbraw/zinc/25/63/28/1357256328.db2.gz KEDBIKHXUHYPRN-IRXDYDNUSA-N 2 1 339.524 2.114 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001676989990 1357256332 /nfs/dbraw/zinc/25/63/32/1357256332.db2.gz KEDBIKHXUHYPRN-IRXDYDNUSA-N 2 1 339.524 2.114 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001676999348 1357259375 /nfs/dbraw/zinc/25/93/75/1357259375.db2.gz TZTGIYCQZJHQII-HZPDHXFCSA-N 2 1 330.476 2.247 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2nccn2C1 ZINC001657067477 1354315984 /nfs/dbraw/zinc/31/59/84/1354315984.db2.gz WSRMHBVLVBYXDP-IRXDYDNUSA-N 2 1 330.476 2.335 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765871 1355385077 /nfs/dbraw/zinc/38/50/77/1355385077.db2.gz PHHSHXIIFOOAGD-QZTJIDSGSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001668092352 1355868176 /nfs/dbraw/zinc/86/81/76/1355868176.db2.gz PERZHVZMJOPLLV-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001668092352 1355868180 /nfs/dbraw/zinc/86/81/80/1355868180.db2.gz PERZHVZMJOPLLV-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001669328928 1356145985 /nfs/dbraw/zinc/14/59/85/1356145985.db2.gz UCOCNHOWIBXVDC-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001672530954 1356546808 /nfs/dbraw/zinc/54/68/08/1356546808.db2.gz OPFLSYJJADWMOB-VQTJNVASSA-N 2 1 339.483 2.055 10 30 EEEEMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487508 1356995381 /nfs/dbraw/zinc/99/53/81/1356995381.db2.gz ZKIJKZNNYSTSTB-ZWKOTPCHSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001675487508 1356995382 /nfs/dbraw/zinc/99/53/82/1356995382.db2.gz ZKIJKZNNYSTSTB-ZWKOTPCHSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001692329689 1405003560 /nfs/dbraw/zinc/00/35/60/1405003560.db2.gz LMEHTZBOEUWJRR-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001699265695 1405306449 /nfs/dbraw/zinc/30/64/49/1405306449.db2.gz SGBBUAAPJGJBMB-WSNITJDQSA-N 2 1 344.297 2.031 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001699878718 1405546443 /nfs/dbraw/zinc/54/64/43/1405546443.db2.gz AEZOOJOBUCPPKV-FQEVSTJZSA-N 2 1 333.520 2.494 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941028598 779739196 /nfs/dbraw/zinc/73/91/96/779739196.db2.gz NBBWBORHLQSEEX-QGZVFWFLSA-N 2 1 346.475 2.287 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941028598 779739209 /nfs/dbraw/zinc/73/92/09/779739209.db2.gz NBBWBORHLQSEEX-QGZVFWFLSA-N 2 1 346.475 2.287 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310190 1090787706 /nfs/dbraw/zinc/78/77/06/1090787706.db2.gz JELNBVGICPDOEA-HUUCEWRRSA-N 2 1 348.516 2.479 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441575607 1095361572 /nfs/dbraw/zinc/36/15/72/1095361572.db2.gz ACTLQTQIZWWLOV-OAHLLOKOSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441575607 1095361581 /nfs/dbraw/zinc/36/15/81/1095361581.db2.gz ACTLQTQIZWWLOV-OAHLLOKOSA-N 2 1 327.900 2.442 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849696 1095935667 /nfs/dbraw/zinc/93/56/67/1095935667.db2.gz MYJXOQCTMDKFQK-CRAIPNDOSA-N 2 1 328.460 2.025 10 30 EEEEMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806126 1097188466 /nfs/dbraw/zinc/18/84/66/1097188466.db2.gz DVLKLPBJWIGRLY-GJZGRUSLSA-N 2 1 346.500 2.042 10 30 EEEEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001442806126 1097188468 /nfs/dbraw/zinc/18/84/68/1097188468.db2.gz DVLKLPBJWIGRLY-GJZGRUSLSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806126 1097188471 /nfs/dbraw/zinc/18/84/71/1097188471.db2.gz DVLKLPBJWIGRLY-GJZGRUSLSA-N 2 1 346.500 2.042 10 30 EEEEMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001442806126 1097188473 /nfs/dbraw/zinc/18/84/73/1097188473.db2.gz DVLKLPBJWIGRLY-GJZGRUSLSA-N 2 1 346.500 2.042 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001479772746 1098944540 /nfs/dbraw/zinc/94/45/40/1098944540.db2.gz WLYACLFANHZRFH-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1C#N ZINC001479772746 1098944546 /nfs/dbraw/zinc/94/45/46/1098944546.db2.gz WLYACLFANHZRFH-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001479772746 1098944549 /nfs/dbraw/zinc/94/45/49/1098944549.db2.gz WLYACLFANHZRFH-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001495480577 1101189833 /nfs/dbraw/zinc/18/98/33/1101189833.db2.gz YROBXSXRPWPRHA-XSLAGTTESA-N 2 1 337.508 2.079 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001495480577 1101189837 /nfs/dbraw/zinc/18/98/37/1101189837.db2.gz YROBXSXRPWPRHA-XSLAGTTESA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001495682329 1101430775 /nfs/dbraw/zinc/43/07/75/1101430775.db2.gz KCRQJNNFSGJMSA-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001495682329 1101430782 /nfs/dbraw/zinc/43/07/82/1101430782.db2.gz KCRQJNNFSGJMSA-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001495047533 1104685573 /nfs/dbraw/zinc/68/55/73/1104685573.db2.gz VPPNRZHMRPOXOP-IHPCNDPISA-N 2 1 341.499 2.253 10 30 EEEEMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095963 1104734922 /nfs/dbraw/zinc/73/49/22/1104734922.db2.gz ZWVJLFMWEWEAQQ-RDJZCZTQSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)CCC=C)CC1 ZINC001493160623 1107615480 /nfs/dbraw/zinc/61/54/80/1107615480.db2.gz IUMZSSPSTWWCJM-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCOCC1 ZINC001500570737 1112949187 /nfs/dbraw/zinc/94/91/87/1112949187.db2.gz LBSPPVRMPBZOST-INIZCTEOSA-N 2 1 348.491 2.228 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001501235845 1113255825 /nfs/dbraw/zinc/25/58/25/1113255825.db2.gz PZMJRKONPYDEAL-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001501235845 1113255828 /nfs/dbraw/zinc/25/58/28/1113255828.db2.gz PZMJRKONPYDEAL-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001506548513 1114690544 /nfs/dbraw/zinc/69/05/44/1114690544.db2.gz JKPNVRJBDXXOQC-QAPCUYQASA-N 2 1 325.472 2.097 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741614 1114852960 /nfs/dbraw/zinc/85/29/60/1114852960.db2.gz IJHPMJPBNLMNCY-HOTGVXAUSA-N 2 1 327.488 2.459 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001506858513 1114923962 /nfs/dbraw/zinc/92/39/62/1114923962.db2.gz MOGDLKCWKAALTQ-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001506858513 1114923965 /nfs/dbraw/zinc/92/39/65/1114923965.db2.gz MOGDLKCWKAALTQ-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001506902867 1114961530 /nfs/dbraw/zinc/96/15/30/1114961530.db2.gz CEPGARAQWLSWRH-JCNLHEQBSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507070678 1115092717 /nfs/dbraw/zinc/09/27/17/1115092717.db2.gz GXQRGNZJCPBJEE-ZIAGYGMSSA-N 2 1 346.313 2.204 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352122 1115214845 /nfs/dbraw/zinc/21/48/45/1115214845.db2.gz WRQWJJOPIQNQLN-QUCCMNQESA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001508207206 1115444742 /nfs/dbraw/zinc/44/47/42/1115444742.db2.gz QBFOHWPQVWDBSU-MRXNPFEDSA-N 2 1 328.460 2.168 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001508207206 1115444743 /nfs/dbraw/zinc/44/47/43/1115444743.db2.gz QBFOHWPQVWDBSU-MRXNPFEDSA-N 2 1 328.460 2.168 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567892729 1124160204 /nfs/dbraw/zinc/16/02/04/1124160204.db2.gz LCQFJCRRSGDGMT-JKSUJKDBSA-N 2 1 339.443 2.426 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137562 1125121674 /nfs/dbraw/zinc/12/16/74/1125121674.db2.gz DXBOCKBRSYDIEP-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137562 1125121679 /nfs/dbraw/zinc/12/16/79/1125121679.db2.gz DXBOCKBRSYDIEP-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569137562 1125121682 /nfs/dbraw/zinc/12/16/82/1125121682.db2.gz DXBOCKBRSYDIEP-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569137562 1125121685 /nfs/dbraw/zinc/12/16/85/1125121685.db2.gz DXBOCKBRSYDIEP-GOSISDBHSA-N 2 1 343.515 2.453 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1CC ZINC001569210905 1125166915 /nfs/dbraw/zinc/16/69/15/1125166915.db2.gz GRKQZQUFSDNZDK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1CC ZINC001569210905 1125166920 /nfs/dbraw/zinc/16/69/20/1125166920.db2.gz GRKQZQUFSDNZDK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527729865 467664215 /nfs/dbraw/zinc/66/42/15/467664215.db2.gz MOCOABCMISFQEX-SFHVURJKSA-N 2 1 334.508 2.343 10 30 EEEEMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323267 468938297 /nfs/dbraw/zinc/93/82/97/468938297.db2.gz SAAHAUORJUEMTD-ZHALLVOQSA-N 2 1 329.444 2.428 10 30 EEEEMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358555 469225016 /nfs/dbraw/zinc/22/50/16/469225016.db2.gz FBWWKGKVMRLZKM-YQVWRLOYSA-N 2 1 349.519 2.300 10 30 EEEEMP CCc1nnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C#N)c1CC ZINC000596359323 469250407 /nfs/dbraw/zinc/25/04/07/469250407.db2.gz ACEJWNVAQJGTFY-AWEZNQCLSA-N 2 1 332.496 2.157 10 30 EEEEMP CCc1nnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C#N)c1CC ZINC000596359323 469250410 /nfs/dbraw/zinc/25/04/10/469250410.db2.gz ACEJWNVAQJGTFY-AWEZNQCLSA-N 2 1 332.496 2.157 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873279 472286712 /nfs/dbraw/zinc/28/67/12/472286712.db2.gz VQPIKXFWSKODRH-PZJWPPBQSA-N 2 1 341.499 2.460 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001267114144 1178274073 /nfs/dbraw/zinc/27/40/73/1178274073.db2.gz BUPVKOYIYHZBFE-FUHWJXTLSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322102 /nfs/dbraw/zinc/32/21/02/1178322102.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322111 /nfs/dbraw/zinc/32/21/11/1178322111.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322120 /nfs/dbraw/zinc/32/21/20/1178322120.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 2 1 331.504 2.099 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)C1 ZINC001691441347 1178633719 /nfs/dbraw/zinc/63/37/19/1178633719.db2.gz NVFIGFWQEOEEOI-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267492836 1179168745 /nfs/dbraw/zinc/16/87/45/1179168745.db2.gz YFBWNXPUICBNDD-MJGOQNOKSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001267858372 1180642237 /nfs/dbraw/zinc/64/22/37/1180642237.db2.gz QZTLBIYJPUAZHX-RBUKOAKNSA-N 2 1 337.483 2.097 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001481491255 1181552983 /nfs/dbraw/zinc/55/29/83/1181552983.db2.gz MJBVUHBINDLSSW-IAGOWNOFSA-N 2 1 330.476 2.192 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001269192144 1184047165 /nfs/dbraw/zinc/04/71/65/1184047165.db2.gz PBJIJWDSPPAEQH-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001269192144 1184047171 /nfs/dbraw/zinc/04/71/71/1184047171.db2.gz PBJIJWDSPPAEQH-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001269870929 1184682708 /nfs/dbraw/zinc/68/27/08/1184682708.db2.gz GVKIOPBDVUWEQD-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001269870929 1184682713 /nfs/dbraw/zinc/68/27/13/1184682713.db2.gz GVKIOPBDVUWEQD-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001270024390 1184792727 /nfs/dbraw/zinc/79/27/27/1184792727.db2.gz CMNGACNTLXASQM-BXWFABGCSA-N 2 1 337.483 2.239 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650841 1185266858 /nfs/dbraw/zinc/26/68/58/1185266858.db2.gz NLKXQSLVAKJLGL-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001482422762 1185667793 /nfs/dbraw/zinc/66/77/93/1185667793.db2.gz GXYKKBJESNQYDR-GOEBONIOSA-N 2 1 334.464 2.143 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001486130506 1193689849 /nfs/dbraw/zinc/68/98/49/1193689849.db2.gz QCEBOYFVTVYSTQ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001272465858 1190836955 /nfs/dbraw/zinc/83/69/55/1190836955.db2.gz MBHXOVRIDQYFJQ-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483930159 1191122150 /nfs/dbraw/zinc/12/21/50/1191122150.db2.gz ZDOWCPBWHDUCDX-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483946079 1191126916 /nfs/dbraw/zinc/12/69/16/1191126916.db2.gz AIATZSBFAMVKLM-OTWHNJEPSA-N 2 1 327.472 2.098 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483985004 1191142384 /nfs/dbraw/zinc/14/23/84/1191142384.db2.gz HQTMOMARXJZNEJ-QGZVFWFLSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001484410735 1191338194 /nfs/dbraw/zinc/33/81/94/1191338194.db2.gz MCVSJVVQDCQRCK-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001484410735 1191338195 /nfs/dbraw/zinc/33/81/95/1191338195.db2.gz MCVSJVVQDCQRCK-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001484410735 1191338196 /nfs/dbraw/zinc/33/81/96/1191338196.db2.gz MCVSJVVQDCQRCK-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001484822260 1191541150 /nfs/dbraw/zinc/54/11/50/1191541150.db2.gz DHERQOZJVCIUAV-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485057787 1191637586 /nfs/dbraw/zinc/63/75/86/1191637586.db2.gz ZVCPWFDULGPGBV-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485057787 1191637587 /nfs/dbraw/zinc/63/75/87/1191637587.db2.gz ZVCPWFDULGPGBV-IRXDYDNUSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485076575 1191645155 /nfs/dbraw/zinc/64/51/55/1191645155.db2.gz JRHIOLQGWZSLNL-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCCC)CC1 ZINC001485080972 1191650055 /nfs/dbraw/zinc/65/00/55/1191650055.db2.gz YUVXNRKPLLXUBI-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1 ZINC001275977482 1205614569 /nfs/dbraw/zinc/61/45/69/1205614569.db2.gz SNFFGBXANZNJLR-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC001275977482 1205614570 /nfs/dbraw/zinc/61/45/70/1205614570.db2.gz SNFFGBXANZNJLR-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929951771 1206520980 /nfs/dbraw/zinc/52/09/80/1206520980.db2.gz FSWLUWDYRAOTPS-UHFFFAOYSA-N 2 1 348.878 2.101 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691734533 1210175656 /nfs/dbraw/zinc/17/56/56/1210175656.db2.gz XXBSTYOZRIRGGT-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001276327142 1215734129 /nfs/dbraw/zinc/73/41/29/1215734129.db2.gz QBTUXNSVPZXRKJ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001276327142 1215734130 /nfs/dbraw/zinc/73/41/30/1215734130.db2.gz QBTUXNSVPZXRKJ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001276327142 1215734131 /nfs/dbraw/zinc/73/41/31/1215734131.db2.gz QBTUXNSVPZXRKJ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001276327142 1215734132 /nfs/dbraw/zinc/73/41/32/1215734132.db2.gz QBTUXNSVPZXRKJ-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001491480479 1259124189 /nfs/dbraw/zinc/12/41/89/1259124189.db2.gz JQDWPAZSMMJVJU-OAHLLOKOSA-N 2 1 347.890 2.270 10 30 EEEEMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC001490231702 1291046205 /nfs/dbraw/zinc/04/62/05/1291046205.db2.gz AXTJVZAQERPNBI-UHFFFAOYSA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C#N ZINC001491557133 1303518186 /nfs/dbraw/zinc/51/81/86/1303518186.db2.gz AWHKAGVDIHSKMU-KKUMJFAQSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C#N ZINC001491557133 1303518189 /nfs/dbraw/zinc/51/81/89/1303518189.db2.gz AWHKAGVDIHSKMU-KKUMJFAQSA-N 2 1 346.450 2.022 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558153 1303520557 /nfs/dbraw/zinc/52/05/57/1303520557.db2.gz IWCTVVKLLARZRY-HUUCEWRRSA-N 2 1 348.516 2.336 10 30 EEEEMP C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799486934 1305275660 /nfs/dbraw/zinc/27/56/60/1305275660.db2.gz VOUFYJIWSDRLTI-SFHVURJKSA-N 2 1 344.503 2.196 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799486934 1305275664 /nfs/dbraw/zinc/27/56/64/1305275664.db2.gz VOUFYJIWSDRLTI-SFHVURJKSA-N 2 1 344.503 2.196 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667567 1317608385 /nfs/dbraw/zinc/60/83/85/1317608385.db2.gz RSAQXLGIFNXTJV-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001264448177 1322703929 /nfs/dbraw/zinc/70/39/29/1322703929.db2.gz UXTBTBGOTAAISA-VQTJNVASSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264448177 1322703931 /nfs/dbraw/zinc/70/39/31/1322703931.db2.gz UXTBTBGOTAAISA-VQTJNVASSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001264448177 1322703935 /nfs/dbraw/zinc/70/39/35/1322703935.db2.gz UXTBTBGOTAAISA-VQTJNVASSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001264579460 1322736693 /nfs/dbraw/zinc/73/66/93/1322736693.db2.gz VJIPIARPYQGKAG-GGPKGHCWSA-N 2 1 331.504 2.102 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265000756 1322846479 /nfs/dbraw/zinc/84/64/79/1322846479.db2.gz CMGYEGCQHHFKBI-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001265197519 1322980354 /nfs/dbraw/zinc/98/03/54/1322980354.db2.gz SKDWYDPRSCTETK-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280332843 1324159901 /nfs/dbraw/zinc/15/99/01/1324159901.db2.gz BHNZDTIKWCBSJA-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001280332843 1324159906 /nfs/dbraw/zinc/15/99/06/1324159906.db2.gz BHNZDTIKWCBSJA-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001280332843 1324159909 /nfs/dbraw/zinc/15/99/09/1324159909.db2.gz BHNZDTIKWCBSJA-KRWDZBQOSA-N 2 1 327.472 2.100 10 30 EEEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001280833395 1324553201 /nfs/dbraw/zinc/55/32/01/1324553201.db2.gz YCNPDTMOTCBZRI-UHFFFAOYSA-N 2 1 327.432 2.237 10 30 EEEEMP C=C(C)C[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCOCC1 ZINC001281240052 1324913593 /nfs/dbraw/zinc/91/35/93/1324913593.db2.gz UIOXJFLTXDJLGW-INIZCTEOSA-N 2 1 348.491 2.228 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001282957984 1325853260 /nfs/dbraw/zinc/85/32/60/1325853260.db2.gz JWJQEPJGYQMVHS-OTWHNJEPSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001282978527 1325864822 /nfs/dbraw/zinc/86/48/22/1325864822.db2.gz XWYITKWWQAFSMX-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001282978527 1325864826 /nfs/dbraw/zinc/86/48/26/1325864826.db2.gz XWYITKWWQAFSMX-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072697 1326394041 /nfs/dbraw/zinc/39/40/41/1326394041.db2.gz UDBSWBLCQZKOKR-ICSRJNTNSA-N 2 1 331.504 2.389 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001284149847 1326436019 /nfs/dbraw/zinc/43/60/19/1326436019.db2.gz ZEDYLZVVEQVTEA-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001284149847 1326436021 /nfs/dbraw/zinc/43/60/21/1326436021.db2.gz ZEDYLZVVEQVTEA-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001284149847 1326436023 /nfs/dbraw/zinc/43/60/23/1326436023.db2.gz ZEDYLZVVEQVTEA-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001284149847 1326436026 /nfs/dbraw/zinc/43/60/26/1326436026.db2.gz ZEDYLZVVEQVTEA-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001284686030 1326666552 /nfs/dbraw/zinc/66/65/52/1326666552.db2.gz FSIGJVRXFJRVPA-MRXNPFEDSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC(=C)C ZINC001492158652 1331022465 /nfs/dbraw/zinc/02/24/65/1331022465.db2.gz RUFWYOQHSVNJMI-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(=C)C ZINC001492158652 1331022466 /nfs/dbraw/zinc/02/24/66/1331022466.db2.gz RUFWYOQHSVNJMI-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(=C)C ZINC001492158652 1331022471 /nfs/dbraw/zinc/02/24/71/1331022471.db2.gz RUFWYOQHSVNJMI-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(=C)C ZINC001492158652 1331022474 /nfs/dbraw/zinc/02/24/74/1331022474.db2.gz RUFWYOQHSVNJMI-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ccc(F)cc1 ZINC001316892806 1331959010 /nfs/dbraw/zinc/95/90/10/1331959010.db2.gz WEULWFZXSQFBFQ-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ccc(F)cc1 ZINC001316892806 1331959012 /nfs/dbraw/zinc/95/90/12/1331959012.db2.gz WEULWFZXSQFBFQ-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccc(F)cc1 ZINC001316892806 1331959014 /nfs/dbraw/zinc/95/90/14/1331959014.db2.gz WEULWFZXSQFBFQ-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccc(F)cc1 ZINC001316892806 1331959015 /nfs/dbraw/zinc/95/90/15/1331959015.db2.gz WEULWFZXSQFBFQ-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811910 1332417151 /nfs/dbraw/zinc/41/71/51/1332417151.db2.gz SEGGNMRYPZYOSW-ZWKOTPCHSA-N 2 1 333.520 2.206 10 30 EEEEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603137 1332566472 /nfs/dbraw/zinc/56/64/72/1332566472.db2.gz OGUVTBZURNEXEU-AEFFLSMTSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001318841807 1332608773 /nfs/dbraw/zinc/60/87/73/1332608773.db2.gz FQQPKCHOCIGJRX-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642810 1332927363 /nfs/dbraw/zinc/92/73/63/1332927363.db2.gz BCMVPMQJKQYYLG-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001321188468 1333040224 /nfs/dbraw/zinc/04/02/24/1333040224.db2.gz HPSHDJKQYNRRTM-ZMUQKWFASA-N 2 1 345.874 2.048 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001323460683 1333467996 /nfs/dbraw/zinc/46/79/96/1333467996.db2.gz ZVOMWUCNYUTRPY-ABHNRTSZSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001323460683 1333468000 /nfs/dbraw/zinc/46/80/00/1333468000.db2.gz ZVOMWUCNYUTRPY-ABHNRTSZSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC001323733086 1333526751 /nfs/dbraw/zinc/52/67/51/1333526751.db2.gz BYSDYZUWLAOULG-UHFFFAOYSA-N 2 1 346.475 2.239 10 30 EEEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001323733086 1333526754 /nfs/dbraw/zinc/52/67/54/1333526754.db2.gz BYSDYZUWLAOULG-UHFFFAOYSA-N 2 1 346.475 2.239 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001323733086 1333526756 /nfs/dbraw/zinc/52/67/56/1333526756.db2.gz BYSDYZUWLAOULG-UHFFFAOYSA-N 2 1 346.475 2.239 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324432546 1333682193 /nfs/dbraw/zinc/68/21/93/1333682193.db2.gz XZKMRQLDPLUWHY-LWAXHKBTSA-N 2 1 337.895 2.007 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001327359347 1334275802 /nfs/dbraw/zinc/27/58/02/1334275802.db2.gz NGULTGAGCWHWIQ-SJLPKXTDSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001327695999 1334336247 /nfs/dbraw/zinc/33/62/47/1334336247.db2.gz NAATYBMQCLMRGR-UHFFFAOYSA-N 2 1 327.472 2.374 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001328485815 1334466306 /nfs/dbraw/zinc/46/63/06/1334466306.db2.gz NPEAUNAAHOLXNK-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001328485815 1334466307 /nfs/dbraw/zinc/46/63/07/1334466307.db2.gz NPEAUNAAHOLXNK-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805250 1334524922 /nfs/dbraw/zinc/52/49/22/1334524922.db2.gz DRGVIJZEYWKZRG-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001328937906 1334551940 /nfs/dbraw/zinc/55/19/40/1334551940.db2.gz FQPPESBZWJJZOC-UHFFFAOYSA-N 2 1 339.443 2.332 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001331472955 1335020084 /nfs/dbraw/zinc/02/00/84/1335020084.db2.gz CCESADZYCKGQJS-AEFFLSMTSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001331472955 1335020087 /nfs/dbraw/zinc/02/00/87/1335020087.db2.gz CCESADZYCKGQJS-AEFFLSMTSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332901433 1335927824 /nfs/dbraw/zinc/92/78/24/1335927824.db2.gz ZKNJADOWYKOFRR-ROUUACIJSA-N 2 1 329.488 2.433 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001333139868 1335969859 /nfs/dbraw/zinc/96/98/59/1335969859.db2.gz FCPXLLKNYHJBSA-UHFFFAOYSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001333471636 1336054740 /nfs/dbraw/zinc/05/47/40/1336054740.db2.gz OQXAJKJSDGQCBM-LJQANCHMSA-N 2 1 345.462 2.428 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353934 /nfs/dbraw/zinc/35/39/34/1352353934.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353936 /nfs/dbraw/zinc/35/39/36/1352353936.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353937 /nfs/dbraw/zinc/35/39/37/1352353937.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 2 1 329.488 2.298 10 30 EEEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001567185260 1342707335 /nfs/dbraw/zinc/70/73/35/1342707335.db2.gz SOSWETMGNZXPCO-QGZVFWFLSA-N 2 1 335.879 2.139 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567807532 1342843057 /nfs/dbraw/zinc/84/30/57/1342843057.db2.gz NMBSDUODEHSTAV-KBXCAEBGSA-N 2 1 325.472 2.354 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567807532 1342843059 /nfs/dbraw/zinc/84/30/59/1342843059.db2.gz NMBSDUODEHSTAV-KBXCAEBGSA-N 2 1 325.472 2.354 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001569706164 1342927383 /nfs/dbraw/zinc/92/73/83/1342927383.db2.gz BMCFGEVYQLYMPW-QZTJIDSGSA-N 2 1 331.504 2.245 10 30 EEEEMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001570216006 1343033343 /nfs/dbraw/zinc/03/33/43/1343033343.db2.gz RJVMPYQYTHMILS-IBGZPJMESA-N 2 1 347.478 2.298 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393903 1343064044 /nfs/dbraw/zinc/06/40/44/1343064044.db2.gz RYOVHOBHEKRGOF-HOTGVXAUSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001570393903 1343064046 /nfs/dbraw/zinc/06/40/46/1343064046.db2.gz RYOVHOBHEKRGOF-HOTGVXAUSA-N 2 1 330.476 2.247 10 30 EEEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571307794 1343177250 /nfs/dbraw/zinc/17/72/50/1343177250.db2.gz HLMYFJRPXAJYBO-ZFWWWQNUSA-N 2 1 338.883 2.381 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001676681474 1357180531 /nfs/dbraw/zinc/18/05/31/1357180531.db2.gz ZELWFSVJEGQXNQ-PBHICJAKSA-N 2 1 325.416 2.036 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001656889870 1354294679 /nfs/dbraw/zinc/29/46/79/1354294679.db2.gz QBKLRLSMNKCOLF-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001656889870 1354294681 /nfs/dbraw/zinc/29/46/81/1354294681.db2.gz QBKLRLSMNKCOLF-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C(C)C ZINC001663201412 1354934899 /nfs/dbraw/zinc/93/48/99/1354934899.db2.gz SPRZCYJRKIHJNI-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C(C)C ZINC001663201412 1354934900 /nfs/dbraw/zinc/93/49/00/1354934900.db2.gz SPRZCYJRKIHJNI-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001663201412 1354934904 /nfs/dbraw/zinc/93/49/04/1354934904.db2.gz SPRZCYJRKIHJNI-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001663201412 1354934906 /nfs/dbraw/zinc/93/49/06/1354934906.db2.gz SPRZCYJRKIHJNI-FQEVSTJZSA-N 2 1 341.499 2.456 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)c1ccccc1CC[NH+](C)C)C1CC1 ZINC001663743614 1355025986 /nfs/dbraw/zinc/02/59/86/1355025986.db2.gz CLOOLBBXUSKFDG-UHFFFAOYSA-N 2 1 327.472 2.008 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001664687861 1355212483 /nfs/dbraw/zinc/21/24/83/1355212483.db2.gz YEBWNQILLLBBGJ-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859830 1355244897 /nfs/dbraw/zinc/24/48/97/1355244897.db2.gz XMHPGQBHBIIRIK-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001664884618 1355252577 /nfs/dbraw/zinc/25/25/77/1355252577.db2.gz RWZUSGCJQKJDKY-KRWDZBQOSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001664884618 1355252582 /nfs/dbraw/zinc/25/25/82/1355252582.db2.gz RWZUSGCJQKJDKY-KRWDZBQOSA-N 2 1 330.476 2.110 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059193 1355858736 /nfs/dbraw/zinc/85/87/36/1355858736.db2.gz BSURSCDBZAHGLE-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001671934882 1356441049 /nfs/dbraw/zinc/44/10/49/1356441049.db2.gz MINOXJYKYLZWPX-KRWDZBQOSA-N 2 1 337.508 2.082 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001672796412 1356585504 /nfs/dbraw/zinc/58/55/04/1356585504.db2.gz OHKMJUAQBLDMGU-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001672796412 1356585509 /nfs/dbraw/zinc/58/55/09/1356585509.db2.gz OHKMJUAQBLDMGU-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001673230134 1356656154 /nfs/dbraw/zinc/65/61/54/1356656154.db2.gz JIHQLVOOWSYYDA-IBGZPJMESA-N 2 1 339.483 2.008 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027758 /nfs/dbraw/zinc/02/77/58/1357027758.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027761 /nfs/dbraw/zinc/02/77/61/1357027761.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027765 /nfs/dbraw/zinc/02/77/65/1357027765.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001690846527 1404940957 /nfs/dbraw/zinc/94/09/57/1404940957.db2.gz JSEMQVNDLXAWQF-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001690846527 1404940969 /nfs/dbraw/zinc/94/09/69/1404940969.db2.gz JSEMQVNDLXAWQF-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001566461909 1125621941 /nfs/dbraw/zinc/62/19/41/1125621941.db2.gz MHLWDKRCBOMBTN-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001566461909 1125621944 /nfs/dbraw/zinc/62/19/44/1125621944.db2.gz MHLWDKRCBOMBTN-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001566461909 1125621947 /nfs/dbraw/zinc/62/19/47/1125621947.db2.gz MHLWDKRCBOMBTN-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001566461909 1125621950 /nfs/dbraw/zinc/62/19/50/1125621950.db2.gz MHLWDKRCBOMBTN-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001436932106 1088601565 /nfs/dbraw/zinc/60/15/65/1088601565.db2.gz OOZKMBZYIRFYSO-GOOCMWNKSA-N 2 1 346.500 2.183 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001437010949 1088787225 /nfs/dbraw/zinc/78/72/25/1088787225.db2.gz NPWZEIDAICRTIS-OWCLPIDISA-N 2 1 327.900 2.297 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439286326 1091946662 /nfs/dbraw/zinc/94/66/62/1091946662.db2.gz SXQAEGLSFUUOMA-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001446173427 1092234180 /nfs/dbraw/zinc/23/41/80/1092234180.db2.gz QEZJULLNDQGZHD-JKSUJKDBSA-N 2 1 346.500 2.088 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849678 1095935702 /nfs/dbraw/zinc/93/57/02/1095935702.db2.gz MYJHQASNUFWBCQ-XJKSGUPXSA-N 2 1 334.489 2.087 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479526025 1098591426 /nfs/dbraw/zinc/59/14/26/1098591426.db2.gz OKKNFIJFPPKYCB-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479526025 1098591437 /nfs/dbraw/zinc/59/14/37/1098591437.db2.gz OKKNFIJFPPKYCB-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479691906 1098756360 /nfs/dbraw/zinc/75/63/60/1098756360.db2.gz GATMELUOAUNMHD-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458390 1100263034 /nfs/dbraw/zinc/26/30/34/1100263034.db2.gz DDRUYBCSUBSFFN-KBXCAEBGSA-N 2 1 346.450 2.164 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001495423155 1101141525 /nfs/dbraw/zinc/14/15/25/1101141525.db2.gz YQHSHMBFHQOHSO-LJQANCHMSA-N 2 1 333.520 2.348 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146541 1102134647 /nfs/dbraw/zinc/13/46/47/1102134647.db2.gz YFAGVMTWHSBUSR-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067505 1108534338 /nfs/dbraw/zinc/53/43/38/1108534338.db2.gz WZSGRLLVBUIKGW-JKSUJKDBSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001499067505 1108534354 /nfs/dbraw/zinc/53/43/54/1108534354.db2.gz WZSGRLLVBUIKGW-JKSUJKDBSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460034273 1110253669 /nfs/dbraw/zinc/25/36/69/1110253669.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 2 1 331.504 2.063 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460034273 1110253672 /nfs/dbraw/zinc/25/36/72/1110253672.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 2 1 331.504 2.063 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460034273 1110253674 /nfs/dbraw/zinc/25/36/74/1110253674.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 2 1 331.504 2.063 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001479453974 1110697211 /nfs/dbraw/zinc/69/72/11/1110697211.db2.gz JMVKLERMDVTFCQ-GPXQEHKYSA-N 2 1 331.504 2.315 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001479453974 1110697212 /nfs/dbraw/zinc/69/72/12/1110697212.db2.gz JMVKLERMDVTFCQ-GPXQEHKYSA-N 2 1 331.504 2.315 10 30 EEEEMP C=C(Cl)C[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001499538776 1112352786 /nfs/dbraw/zinc/35/27/86/1112352786.db2.gz NLFBJACSURTZNO-UHFFFAOYSA-N 2 1 345.915 2.019 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001502404748 1113669666 /nfs/dbraw/zinc/66/96/66/1113669666.db2.gz MQXNILBZZQCRQN-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404748 1113669669 /nfs/dbraw/zinc/66/96/69/1113669669.db2.gz MQXNILBZZQCRQN-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404748 1113669671 /nfs/dbraw/zinc/66/96/71/1113669671.db2.gz MQXNILBZZQCRQN-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867081 /nfs/dbraw/zinc/86/70/81/1113867081.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867084 /nfs/dbraw/zinc/86/70/84/1113867084.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867090 /nfs/dbraw/zinc/86/70/90/1113867090.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001506896995 1114958134 /nfs/dbraw/zinc/95/81/34/1114958134.db2.gz FRZPQCPMXCVGSM-ULQDDVLXSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507027747 1115065397 /nfs/dbraw/zinc/06/53/97/1115065397.db2.gz LFCJLYSBWNXAOF-QFBILLFUSA-N 2 1 337.483 2.049 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352120 1115215392 /nfs/dbraw/zinc/21/53/92/1115215392.db2.gz WRQWJJOPIQNQLN-ICSRJNTNSA-N 2 1 340.471 2.123 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001507382939 1115241817 /nfs/dbraw/zinc/24/18/17/1115241817.db2.gz MAVBYFLWFGWVHU-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001507382939 1115241819 /nfs/dbraw/zinc/24/18/19/1115241819.db2.gz MAVBYFLWFGWVHU-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001507382939 1115241822 /nfs/dbraw/zinc/24/18/22/1115241822.db2.gz MAVBYFLWFGWVHU-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001507382939 1115241824 /nfs/dbraw/zinc/24/18/24/1115241824.db2.gz MAVBYFLWFGWVHU-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001568504159 1124558876 /nfs/dbraw/zinc/55/88/76/1124558876.db2.gz SDCQDTOBQXPCDN-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001568504159 1124558884 /nfs/dbraw/zinc/55/88/84/1124558884.db2.gz SDCQDTOBQXPCDN-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568504159 1124558888 /nfs/dbraw/zinc/55/88/88/1124558888.db2.gz SDCQDTOBQXPCDN-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568504159 1124558896 /nfs/dbraw/zinc/55/88/96/1124558896.db2.gz SDCQDTOBQXPCDN-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568643142 1124656448 /nfs/dbraw/zinc/65/64/48/1124656448.db2.gz XLYCPOQDKMJCEW-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330098966 539787734 /nfs/dbraw/zinc/78/77/34/539787734.db2.gz CMVMPRSXYIAHCQ-DNVCBOLYSA-N 2 1 335.492 2.197 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000247597917 464697354 /nfs/dbraw/zinc/69/73/54/464697354.db2.gz SWIVOBUZYNCXGX-ROUUACIJSA-N 2 1 334.508 2.175 10 30 EEEEMP CC[NH+](CC)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360291086 465553904 /nfs/dbraw/zinc/55/39/04/465553904.db2.gz INXWPTBZCJSTRG-GOSISDBHSA-N 2 1 328.460 2.138 10 30 EEEEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440725 468588800 /nfs/dbraw/zinc/58/88/00/468588800.db2.gz IDTDJHWBWGAOCS-LJQANCHMSA-N 2 1 342.487 2.441 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000594444338 468590847 /nfs/dbraw/zinc/59/08/47/468590847.db2.gz PFJAGYZCEXIEMS-HZPDHXFCSA-N 2 1 334.851 2.224 10 30 EEEEMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](c2ccccc2)C1 ZINC000592526241 468720731 /nfs/dbraw/zinc/72/07/31/468720731.db2.gz XKJRWZFEDKFOJE-MOPGFXCFSA-N 2 1 346.438 2.036 10 30 EEEEMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](c2ccccc2)C1 ZINC000592526241 468720735 /nfs/dbraw/zinc/72/07/35/468720735.db2.gz XKJRWZFEDKFOJE-MOPGFXCFSA-N 2 1 346.438 2.036 10 30 EEEEMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595944688 469094472 /nfs/dbraw/zinc/09/44/72/469094472.db2.gz IVWLWQQQJNXXNM-MOPGFXCFSA-N 2 1 342.487 2.173 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2cc(C#N)ccc2n1 ZINC000596361459 469250379 /nfs/dbraw/zinc/25/03/79/469250379.db2.gz TZUFKMSSQAXTFZ-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2cc(C#N)ccc2n1 ZINC000596361459 469250386 /nfs/dbraw/zinc/25/03/86/469250386.db2.gz TZUFKMSSQAXTFZ-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794803 472255026 /nfs/dbraw/zinc/25/50/26/472255026.db2.gz UBUNEKXWQDHVNN-XKGZKEIXSA-N 2 1 327.472 2.321 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001485778415 1191934711 /nfs/dbraw/zinc/93/47/11/1191934711.db2.gz FPOBPSFEPYOVMD-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C/C=C/c2ccccc2)CC1 ZINC001691000394 1176472431 /nfs/dbraw/zinc/47/24/31/1176472431.db2.gz FNBVAOWGSYIUSS-JXMROGBWSA-N 2 1 339.483 2.093 10 30 EEEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267244513 1178601589 /nfs/dbraw/zinc/60/15/89/1178601589.db2.gz GJNGJQDITLCYSH-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267492834 1179168896 /nfs/dbraw/zinc/16/88/96/1179168896.db2.gz YFBWNXPUICBNDD-IEBWSBKVSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647142 /nfs/dbraw/zinc/64/71/42/1181647142.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001268648874 1183577046 /nfs/dbraw/zinc/57/70/46/1183577046.db2.gz ZOSHJWSAFDSYBY-GLJUWKHASA-N 2 1 349.425 2.218 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001268648874 1183577051 /nfs/dbraw/zinc/57/70/51/1183577051.db2.gz ZOSHJWSAFDSYBY-GLJUWKHASA-N 2 1 349.425 2.218 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001270296615 1184996849 /nfs/dbraw/zinc/99/68/49/1184996849.db2.gz RNSJVLOTPLTKFK-SFHVURJKSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663942 1185283799 /nfs/dbraw/zinc/28/37/99/1185283799.db2.gz BMTHGRJVPFXPSL-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001270796036 1185391422 /nfs/dbraw/zinc/39/14/22/1185391422.db2.gz CFMIJWJQHROMOR-DYXWJJEUSA-N 2 1 341.499 2.346 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367935 1185528402 /nfs/dbraw/zinc/52/84/02/1185528402.db2.gz CINWNEQIXYJSGS-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370222 1185535608 /nfs/dbraw/zinc/53/56/08/1185535608.db2.gz TUANJMPCBPEDLB-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)CC(C)C ZINC001482386755 1185584615 /nfs/dbraw/zinc/58/46/15/1185584615.db2.gz JDVXZLMYHCWOGT-GJZGRUSLSA-N 2 1 347.425 2.157 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)CC(C)C ZINC001482386755 1185584627 /nfs/dbraw/zinc/58/46/27/1185584627.db2.gz JDVXZLMYHCWOGT-GJZGRUSLSA-N 2 1 347.425 2.157 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001270910258 1185734375 /nfs/dbraw/zinc/73/43/75/1185734375.db2.gz BVZISFYYQRZMAN-UHFFFAOYSA-N 2 1 330.476 2.213 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC001271914586 1186618151 /nfs/dbraw/zinc/61/81/51/1186618151.db2.gz CCSREXYDJJNTEH-LJQANCHMSA-N 2 1 329.488 2.110 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272773080 1193490925 /nfs/dbraw/zinc/49/09/25/1193490925.db2.gz JDSXZFMVANDVNC-ZIAGYGMSSA-N 2 1 346.313 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001482841378 1187760939 /nfs/dbraw/zinc/76/09/39/1187760939.db2.gz GLMAWDMYBRUVOO-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001482841378 1187760944 /nfs/dbraw/zinc/76/09/44/1187760944.db2.gz GLMAWDMYBRUVOO-ICSRJNTNSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001483838040 1191089220 /nfs/dbraw/zinc/08/92/20/1191089220.db2.gz VRXMBVALUMXGCM-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC001483838040 1191089222 /nfs/dbraw/zinc/08/92/22/1191089222.db2.gz VRXMBVALUMXGCM-UHFFFAOYSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988285 1191144004 /nfs/dbraw/zinc/14/40/04/1191144004.db2.gz VTXGDSLVUZSPFU-AZUAARDMSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485057767 1191637473 /nfs/dbraw/zinc/63/74/73/1191637473.db2.gz ZVCPWFDULGPGBV-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485057767 1191637474 /nfs/dbraw/zinc/63/74/74/1191637474.db2.gz ZVCPWFDULGPGBV-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485059857 1191639050 /nfs/dbraw/zinc/63/90/50/1191639050.db2.gz DQCAWRURPRCQQC-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229896 1191699004 /nfs/dbraw/zinc/69/90/04/1191699004.db2.gz NMEMDEUPDAOCEN-UONOGXRCSA-N 2 1 334.439 2.020 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)CC1 ZINC001273428118 1198810163 /nfs/dbraw/zinc/81/01/63/1198810163.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CC)CC1 ZINC001273428118 1198810167 /nfs/dbraw/zinc/81/01/67/1198810167.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)CC1 ZINC001273428118 1198810172 /nfs/dbraw/zinc/81/01/72/1198810172.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C\CC)CC1 ZINC001273428118 1198810174 /nfs/dbraw/zinc/81/01/74/1198810174.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C\CC)CC1 ZINC001273428118 1198810178 /nfs/dbraw/zinc/81/01/78/1198810178.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 1 331.504 2.411 10 30 EEEEMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810633764 1199635502 /nfs/dbraw/zinc/63/55/02/1199635502.db2.gz LZKJBZFFUVJCFK-YJBOKZPZSA-N 2 1 326.456 2.476 10 30 EEEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001279171207 1205127969 /nfs/dbraw/zinc/12/79/69/1205127969.db2.gz GKQKSFZIINOYAX-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001279171207 1205127971 /nfs/dbraw/zinc/12/79/71/1205127971.db2.gz GKQKSFZIINOYAX-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185463 1205277603 /nfs/dbraw/zinc/27/76/03/1205277603.db2.gz YJSXFLSZWURLLW-VQTJNVASSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001275624576 1205449656 /nfs/dbraw/zinc/44/96/56/1205449656.db2.gz PSQSAUAYKYMVRN-UHFFFAOYSA-N 2 1 330.476 2.389 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001489147374 1290407356 /nfs/dbraw/zinc/40/73/56/1290407356.db2.gz KMAVYCFQGIGMTH-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001489147374 1290407362 /nfs/dbraw/zinc/40/73/62/1290407362.db2.gz KMAVYCFQGIGMTH-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(CC)c1 ZINC001490207840 1290999519 /nfs/dbraw/zinc/99/95/19/1290999519.db2.gz CAWWHMGYAYJWIA-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cccc(CC)c1 ZINC001490207840 1290999525 /nfs/dbraw/zinc/99/95/25/1290999525.db2.gz CAWWHMGYAYJWIA-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(CC)c1 ZINC001490207840 1290999528 /nfs/dbraw/zinc/99/95/28/1290999528.db2.gz CAWWHMGYAYJWIA-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(CC)c1 ZINC001490207840 1290999531 /nfs/dbraw/zinc/99/95/31/1290999531.db2.gz CAWWHMGYAYJWIA-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001276840835 1299877021 /nfs/dbraw/zinc/87/70/21/1299877021.db2.gz SEOBRAAPENPHSV-GBESFXJTSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001276840835 1299877031 /nfs/dbraw/zinc/87/70/31/1299877031.db2.gz SEOBRAAPENPHSV-GBESFXJTSA-N 2 1 342.487 2.212 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001276921095 1300269783 /nfs/dbraw/zinc/26/97/83/1300269783.db2.gz HJUFVCRLQLIHIC-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299336 1302259384 /nfs/dbraw/zinc/25/93/84/1302259384.db2.gz QIHGMOWZKQTIFK-DLBZAZTESA-N 2 1 342.487 2.275 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001277914271 1305077028 /nfs/dbraw/zinc/07/70/28/1305077028.db2.gz MWKRQMHRZNITDP-HBFSDRIKSA-N 2 1 341.499 2.205 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC001278437838 1310265554 /nfs/dbraw/zinc/26/55/54/1310265554.db2.gz JEGGBPIOUNXNJP-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001278437838 1310265567 /nfs/dbraw/zinc/26/55/67/1310265567.db2.gz JEGGBPIOUNXNJP-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001278437838 1310265573 /nfs/dbraw/zinc/26/55/73/1310265573.db2.gz JEGGBPIOUNXNJP-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001278437838 1310265579 /nfs/dbraw/zinc/26/55/79/1310265579.db2.gz JEGGBPIOUNXNJP-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001265061639 1322900264 /nfs/dbraw/zinc/90/02/64/1322900264.db2.gz YVNNPUVFVRYVGT-IBGZPJMESA-N 2 1 329.488 2.062 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813480 1323394729 /nfs/dbraw/zinc/39/47/29/1323394729.db2.gz RURPHAATCXKYEP-ICSRJNTNSA-N 2 1 341.499 2.254 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265910876 1323478914 /nfs/dbraw/zinc/47/89/14/1323478914.db2.gz SSZSOIVQZVETLW-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155750 1323725012 /nfs/dbraw/zinc/72/50/12/1323725012.db2.gz QHWUZWPMAUOKSQ-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001282618762 1325753047 /nfs/dbraw/zinc/75/30/47/1325753047.db2.gz CPTLHIOLVWUSBB-KRWDZBQOSA-N 2 1 342.487 2.186 10 30 EEEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282673641 1325762313 /nfs/dbraw/zinc/76/23/13/1325762313.db2.gz ALSVUFZHBSBULJ-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282673641 1325762316 /nfs/dbraw/zinc/76/23/16/1325762316.db2.gz ALSVUFZHBSBULJ-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316659733 1329875320 /nfs/dbraw/zinc/87/53/20/1329875320.db2.gz CMUONVFWBQHLJA-FCEWJHQRSA-N 2 1 337.483 2.097 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128394 1330981424 /nfs/dbraw/zinc/98/14/24/1330981424.db2.gz RXTVCOGDNWVYJA-WBVHZDCISA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317041339 1332056357 /nfs/dbraw/zinc/05/63/57/1332056357.db2.gz VAFQOGKSQPZCBE-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041339 1332056360 /nfs/dbraw/zinc/05/63/60/1332056360.db2.gz VAFQOGKSQPZCBE-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041339 1332056363 /nfs/dbraw/zinc/05/63/63/1332056363.db2.gz VAFQOGKSQPZCBE-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433854 1332238202 /nfs/dbraw/zinc/23/82/02/1332238202.db2.gz FUCUVFZHTHALCM-MRXNPFEDSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318416380 1332529194 /nfs/dbraw/zinc/52/91/94/1332529194.db2.gz NUFAQTMBZDWFTC-QGZVFWFLSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001318841810 1332608660 /nfs/dbraw/zinc/60/86/60/1332608660.db2.gz FQQPKCHOCIGJRX-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319111735 1332650894 /nfs/dbraw/zinc/65/08/94/1332650894.db2.gz MLYUVCWBMCBOAK-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001324318603 1333656695 /nfs/dbraw/zinc/65/66/95/1333656695.db2.gz NMGGCUVGBDVBQL-MRXNPFEDSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974953 1333800255 /nfs/dbraw/zinc/80/02/55/1333800255.db2.gz CQXXVCDXMDCYMJ-UYAOXDASSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142717 1334232427 /nfs/dbraw/zinc/23/24/27/1334232427.db2.gz KDKKEZZNARISJJ-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001329244059 1334613802 /nfs/dbraw/zinc/61/38/02/1334613802.db2.gz QREQSDDWYAIUQF-AOCRQIFASA-N 2 1 342.487 2.136 10 30 EEEEMP C=CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001331054570 1334954359 /nfs/dbraw/zinc/95/43/59/1334954359.db2.gz UQOGGIRCOIMCDP-UHFFFAOYSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001331054570 1334954361 /nfs/dbraw/zinc/95/43/61/1334954361.db2.gz UQOGGIRCOIMCDP-UHFFFAOYSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001331054570 1334954362 /nfs/dbraw/zinc/95/43/62/1334954362.db2.gz UQOGGIRCOIMCDP-UHFFFAOYSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001332031675 1335710588 /nfs/dbraw/zinc/71/05/88/1335710588.db2.gz YPHOYRUFCABICE-CABCVRRESA-N 2 1 332.448 2.039 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812191 1335912012 /nfs/dbraw/zinc/91/20/12/1335912012.db2.gz ZENFADBFUYQQMX-SJLPKXTDSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001502650749 1342221263 /nfs/dbraw/zinc/22/12/63/1342221263.db2.gz MHVJIFXUFCOMNA-UHFFFAOYSA-N 2 1 325.456 2.126 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566740210 1342619586 /nfs/dbraw/zinc/61/95/86/1342619586.db2.gz SENMZSDOOIYPAW-PKOBYXMFSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001566918822 1342653087 /nfs/dbraw/zinc/65/30/87/1342653087.db2.gz YXTUBEFDTRBRDP-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001566918822 1342653090 /nfs/dbraw/zinc/65/30/90/1342653090.db2.gz YXTUBEFDTRBRDP-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001566918822 1342653096 /nfs/dbraw/zinc/65/30/96/1342653096.db2.gz YXTUBEFDTRBRDP-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001566918822 1342653101 /nfs/dbraw/zinc/65/31/01/1342653101.db2.gz YXTUBEFDTRBRDP-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567743098 1342831216 /nfs/dbraw/zinc/83/12/16/1342831216.db2.gz UYHUOHAWWLCOOX-GOSISDBHSA-N 2 1 333.520 2.465 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001571307481 1343176564 /nfs/dbraw/zinc/17/65/64/1343176564.db2.gz DBCUOWWCRBXSBL-LSDHHAIUSA-N 2 1 348.516 2.336 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894621 1357236120 /nfs/dbraw/zinc/23/61/20/1357236120.db2.gz QKNLQPJLNXDMNB-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894621 1357236124 /nfs/dbraw/zinc/23/61/24/1357236124.db2.gz QKNLQPJLNXDMNB-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894621 1357236125 /nfs/dbraw/zinc/23/61/25/1357236125.db2.gz QKNLQPJLNXDMNB-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894621 1357236128 /nfs/dbraw/zinc/23/61/28/1357236128.db2.gz QKNLQPJLNXDMNB-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001667750550 1355806104 /nfs/dbraw/zinc/80/61/04/1355806104.db2.gz CWRBEELJLBWVGO-PMACEKPBSA-N 2 1 341.499 2.059 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930538 1356242285 /nfs/dbraw/zinc/24/22/85/1356242285.db2.gz OJLLFVBKZLFVEP-QZTJIDSGSA-N 2 1 335.536 2.450 10 30 EEEEMP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC[NH+](CC)CC1 ZINC001671477502 1356345919 /nfs/dbraw/zinc/34/59/19/1356345919.db2.gz OQFMGXQJGGZCCO-INIZCTEOSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001671535934 1356357659 /nfs/dbraw/zinc/35/76/59/1356357659.db2.gz JBINXSCYRMZLMZ-OALUTQOASA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001671535934 1356357664 /nfs/dbraw/zinc/35/76/64/1356357664.db2.gz JBINXSCYRMZLMZ-OALUTQOASA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001671972724 1356447519 /nfs/dbraw/zinc/44/75/19/1356447519.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001671972724 1356447521 /nfs/dbraw/zinc/44/75/21/1356447521.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001671972724 1356447522 /nfs/dbraw/zinc/44/75/22/1356447522.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 2 1 331.451 2.366 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646601 1356725960 /nfs/dbraw/zinc/72/59/60/1356725960.db2.gz YQDQWWNZDABAET-HXUWFJFHSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943310 1356913799 /nfs/dbraw/zinc/91/37/99/1356913799.db2.gz KDJXOXYSZUTQGR-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943310 1356913801 /nfs/dbraw/zinc/91/38/01/1356913801.db2.gz KDJXOXYSZUTQGR-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001674943310 1356913805 /nfs/dbraw/zinc/91/38/05/1356913805.db2.gz KDJXOXYSZUTQGR-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674943310 1356913809 /nfs/dbraw/zinc/91/38/09/1356913809.db2.gz KDJXOXYSZUTQGR-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691839707 1404949841 /nfs/dbraw/zinc/94/98/41/1404949841.db2.gz KHCMDWIFJBWYAS-ZWKOTPCHSA-N 2 1 327.472 2.241 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962036 1404970262 /nfs/dbraw/zinc/97/02/62/1404970262.db2.gz WMEIIAFBYOKIMX-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691962036 1404970270 /nfs/dbraw/zinc/97/02/70/1404970270.db2.gz WMEIIAFBYOKIMX-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691962036 1404970275 /nfs/dbraw/zinc/97/02/75/1404970275.db2.gz WMEIIAFBYOKIMX-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699403196 1405347563 /nfs/dbraw/zinc/34/75/63/1405347563.db2.gz MZVZEMHZBFXFAI-QFBILLFUSA-N 2 1 345.462 2.144 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832275 779378038 /nfs/dbraw/zinc/37/80/38/779378038.db2.gz WPAHSJFXXJLTLF-KRWDZBQOSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C(C)(C)C1 ZINC000940986629 779668549 /nfs/dbraw/zinc/66/85/49/779668549.db2.gz JTWFBRTUXMBHED-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986629 779668550 /nfs/dbraw/zinc/66/85/50/779668550.db2.gz JTWFBRTUXMBHED-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075404 779795221 /nfs/dbraw/zinc/79/52/21/779795221.db2.gz KMYWNOHNQYZARX-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076618 779796830 /nfs/dbraw/zinc/79/68/30/779796830.db2.gz YRQRXWXGQPLVLI-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000923294638 789327164 /nfs/dbraw/zinc/32/71/64/789327164.db2.gz KZFTZOUIZHQVFL-KRWDZBQOSA-N 2 1 346.519 2.132 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615011 1091410010 /nfs/dbraw/zinc/41/00/10/1091410010.db2.gz VVIKWMKILSYNJZ-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001441505561 1095191556 /nfs/dbraw/zinc/19/15/56/1095191556.db2.gz CIEHBMCRUNEPAT-ZYSHUDEJSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369405 /nfs/dbraw/zinc/36/94/05/1095369405.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369418 /nfs/dbraw/zinc/36/94/18/1095369418.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369432 /nfs/dbraw/zinc/36/94/32/1095369432.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001443750687 1098246484 /nfs/dbraw/zinc/24/64/84/1098246484.db2.gz GWJWVXZPNPNQSM-UHFFFAOYSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001497662888 1102852041 /nfs/dbraw/zinc/85/20/41/1102852041.db2.gz MYJVLGPIRUNSIY-PDNKVIRKSA-N 2 1 340.471 2.051 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)C1 ZINC001497885520 1103256768 /nfs/dbraw/zinc/25/67/68/1103256768.db2.gz SFTCFOLHECGJLA-UYAOXDASSA-N 2 1 341.499 2.254 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060649 1103917596 /nfs/dbraw/zinc/91/75/96/1103917596.db2.gz JKFCJXGJDFIYSU-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060649 1103917606 /nfs/dbraw/zinc/91/76/06/1103917606.db2.gz JKFCJXGJDFIYSU-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060649 1103917613 /nfs/dbraw/zinc/91/76/13/1103917613.db2.gz JKFCJXGJDFIYSU-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493583862 1108357377 /nfs/dbraw/zinc/35/73/77/1108357377.db2.gz KBYBNDMDAVTJOU-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCC)CC2)CC1 ZINC001502147452 1113615946 /nfs/dbraw/zinc/61/59/46/1113615946.db2.gz JODNXBYOHLOWNZ-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001502355619 1113642987 /nfs/dbraw/zinc/64/29/87/1113642987.db2.gz YKZQFLBUSURXPV-UHFFFAOYSA-N 2 1 345.472 2.105 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001502355619 1113642990 /nfs/dbraw/zinc/64/29/90/1113642990.db2.gz YKZQFLBUSURXPV-UHFFFAOYSA-N 2 1 345.472 2.105 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406949 1113671603 /nfs/dbraw/zinc/67/16/03/1113671603.db2.gz WUEBFKXNFMHSLU-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001506065154 1114388835 /nfs/dbraw/zinc/38/88/35/1114388835.db2.gz KMRLCKNHWLHLTC-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001506065154 1114388837 /nfs/dbraw/zinc/38/88/37/1114388837.db2.gz KMRLCKNHWLHLTC-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001506065154 1114388839 /nfs/dbraw/zinc/38/88/39/1114388839.db2.gz KMRLCKNHWLHLTC-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001506065154 1114388840 /nfs/dbraw/zinc/38/88/40/1114388840.db2.gz KMRLCKNHWLHLTC-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001507346607 1115209666 /nfs/dbraw/zinc/20/96/66/1115209666.db2.gz UXKZDKOHSOLEHX-JFIYKMOQSA-N 2 1 325.472 2.356 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454694 1115279695 /nfs/dbraw/zinc/27/96/95/1115279695.db2.gz ZBFCQAYPLYDHAK-GOSISDBHSA-N 2 1 342.487 2.225 10 30 EEEEMP C=C(C)Cn1c(CN2CCCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC001516016989 1118993104 /nfs/dbraw/zinc/99/31/04/1118993104.db2.gz PYEKKTLFMYYWFW-UHFFFAOYSA-N 2 1 346.523 2.372 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001568087823 1124292560 /nfs/dbraw/zinc/29/25/60/1124292560.db2.gz PDLKIYSPJOTWPU-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001568087823 1124292566 /nfs/dbraw/zinc/29/25/66/1124292566.db2.gz PDLKIYSPJOTWPU-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001569062067 1125073688 /nfs/dbraw/zinc/07/36/88/1125073688.db2.gz QBTLZYYRFWOSPB-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001569062067 1125073695 /nfs/dbraw/zinc/07/36/95/1125073695.db2.gz QBTLZYYRFWOSPB-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439878 468587713 /nfs/dbraw/zinc/58/77/13/468587713.db2.gz VQHQEJHRZDWSKP-ZWKOTPCHSA-N 2 1 328.460 2.131 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598961089 469068822 /nfs/dbraw/zinc/06/88/22/469068822.db2.gz IBBXCDOUOZULOD-KRWDZBQOSA-N 2 1 327.476 2.384 10 30 EEEEMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596359684 469250189 /nfs/dbraw/zinc/25/01/89/469250189.db2.gz BVVQNYUVWIOWSH-AWEZNQCLSA-N 2 1 333.436 2.459 10 30 EEEEMP C=CC[C@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679821 472202389 /nfs/dbraw/zinc/20/23/89/472202389.db2.gz CZLLAJREOFVRDS-HXUWFJFHSA-N 2 1 327.472 2.249 10 30 EEEEMP C=CCNC(=O)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198037 526527330 /nfs/dbraw/zinc/52/73/30/526527330.db2.gz RDDMUUSFJRJJAI-UHFFFAOYSA-N 2 1 345.491 2.076 10 30 EEEEMP C=CCNC(=O)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198037 526527336 /nfs/dbraw/zinc/52/73/36/526527336.db2.gz RDDMUUSFJRJJAI-UHFFFAOYSA-N 2 1 345.491 2.076 10 30 EEEEMP C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262784230 688457866 /nfs/dbraw/zinc/45/78/66/688457866.db2.gz LZNHNXNMOZRVPC-HZZYYBQKSA-N 2 1 336.524 2.108 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001267936971 1180789330 /nfs/dbraw/zinc/78/93/30/1180789330.db2.gz WAASLBNZXQSRBC-APWZRJJASA-N 2 1 345.487 2.078 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001267936971 1180789336 /nfs/dbraw/zinc/78/93/36/1180789336.db2.gz WAASLBNZXQSRBC-APWZRJJASA-N 2 1 345.487 2.078 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268198404 1181992700 /nfs/dbraw/zinc/99/27/00/1181992700.db2.gz QRRSSBROQKFIFY-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268198404 1181992705 /nfs/dbraw/zinc/99/27/05/1181992705.db2.gz QRRSSBROQKFIFY-AZUAARDMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482051991 1183248607 /nfs/dbraw/zinc/24/86/07/1183248607.db2.gz WBZRXWIGACXSLE-LJQANCHMSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001269553595 1184383066 /nfs/dbraw/zinc/38/30/66/1184383066.db2.gz WLPMGIYOSJNFNQ-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699801 1184529950 /nfs/dbraw/zinc/52/99/50/1184529950.db2.gz JTTNWSJKYZTRRF-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699801 1184529955 /nfs/dbraw/zinc/52/99/55/1184529955.db2.gz JTTNWSJKYZTRRF-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001279112505 1185431727 /nfs/dbraw/zinc/43/17/27/1185431727.db2.gz IVBXBLSGWVDRAN-DLBZAZTESA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001270997049 1185795934 /nfs/dbraw/zinc/79/59/34/1185795934.db2.gz ZNGIVFBIQFWKGL-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001270997049 1185795939 /nfs/dbraw/zinc/79/59/39/1185795939.db2.gz ZNGIVFBIQFWKGL-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001271445938 1186232473 /nfs/dbraw/zinc/23/24/73/1186232473.db2.gz IVNTVFCEBADNQF-YLJYHZDGSA-N 2 1 341.499 2.361 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482950167 1187889761 /nfs/dbraw/zinc/88/97/61/1187889761.db2.gz HRGUOBYVAKATGC-UHFFFAOYSA-N 2 1 343.515 2.454 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691621396 1188321185 /nfs/dbraw/zinc/32/11/85/1188321185.db2.gz UBAZXAMFIBKMAR-GVDBMIGSSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691629575 1188878793 /nfs/dbraw/zinc/87/87/93/1188878793.db2.gz QXKQUOICNIOJKF-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001485887233 1193630222 /nfs/dbraw/zinc/63/02/22/1193630222.db2.gz VEOGJTYSZDSBJI-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001485887233 1193630224 /nfs/dbraw/zinc/63/02/24/1193630224.db2.gz VEOGJTYSZDSBJI-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484168374 1191255316 /nfs/dbraw/zinc/25/53/16/1191255316.db2.gz XGLCYVBSPCBCGX-UYAOXDASSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484168374 1191255318 /nfs/dbraw/zinc/25/53/18/1191255318.db2.gz XGLCYVBSPCBCGX-UYAOXDASSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484168374 1191255321 /nfs/dbraw/zinc/25/53/21/1191255321.db2.gz XGLCYVBSPCBCGX-UYAOXDASSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001484558599 1191414574 /nfs/dbraw/zinc/41/45/74/1191414574.db2.gz JOYAHNJBKCOYRG-MRXNPFEDSA-N 2 1 327.472 2.461 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001485031841 1191621915 /nfs/dbraw/zinc/62/19/15/1191621915.db2.gz UFGVZXDQMXQBJP-GOSISDBHSA-N 2 1 339.499 2.250 10 30 EEEEMP C#CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001485450542 1191789547 /nfs/dbraw/zinc/78/95/47/1191789547.db2.gz JQNGMFVZHFXVKR-INIZCTEOSA-N 2 1 330.476 2.439 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485483848 1191799861 /nfs/dbraw/zinc/79/98/61/1191799861.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485483848 1191799858 /nfs/dbraw/zinc/79/98/58/1191799858.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485483848 1191799859 /nfs/dbraw/zinc/79/98/59/1191799859.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485483848 1191799863 /nfs/dbraw/zinc/79/98/63/1191799863.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485483848 1191799865 /nfs/dbraw/zinc/79/98/65/1191799865.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001486161626 1193707093 /nfs/dbraw/zinc/70/70/93/1193707093.db2.gz PAOPRMQRVIHYAG-BHYGNILZSA-N 2 1 346.475 2.143 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001486211043 1193751486 /nfs/dbraw/zinc/75/14/86/1193751486.db2.gz AGXPRBWMXSUFFX-JKSUJKDBSA-N 2 1 346.475 2.335 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734361 1199746263 /nfs/dbraw/zinc/74/62/63/1199746263.db2.gz CZRZSZPHAJZJNR-IRXDYDNUSA-N 2 1 335.879 2.485 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261963 1201440111 /nfs/dbraw/zinc/44/01/11/1201440111.db2.gz PKVKCYKVHFTPOQ-DLBZAZTESA-N 2 1 328.460 2.181 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261963 1201440114 /nfs/dbraw/zinc/44/01/14/1201440114.db2.gz PKVKCYKVHFTPOQ-DLBZAZTESA-N 2 1 328.460 2.181 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275135092 1205265146 /nfs/dbraw/zinc/26/51/46/1205265146.db2.gz FYSGYPOUHFNEIE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275135092 1205265147 /nfs/dbraw/zinc/26/51/47/1205265147.db2.gz FYSGYPOUHFNEIE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001275135092 1205265149 /nfs/dbraw/zinc/26/51/49/1205265149.db2.gz FYSGYPOUHFNEIE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001275574423 1205423718 /nfs/dbraw/zinc/42/37/18/1205423718.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1CC ZINC001275574423 1205423721 /nfs/dbraw/zinc/42/37/21/1205423721.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001275574423 1205423724 /nfs/dbraw/zinc/42/37/24/1205423724.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1CC ZINC001275574423 1205423726 /nfs/dbraw/zinc/42/37/26/1205423726.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1CC ZINC001275574423 1205423729 /nfs/dbraw/zinc/42/37/29/1205423729.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000928649349 1206407320 /nfs/dbraw/zinc/40/73/20/1206407320.db2.gz HYGXHQDNWFSELT-LJQANCHMSA-N 2 1 339.483 2.323 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000930601315 1206569565 /nfs/dbraw/zinc/56/95/65/1206569565.db2.gz GOQIUPPJGQUNTB-HXUWFJFHSA-N 2 1 325.456 2.414 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000930601315 1206569566 /nfs/dbraw/zinc/56/95/66/1206569566.db2.gz GOQIUPPJGQUNTB-HXUWFJFHSA-N 2 1 325.456 2.414 10 30 EEEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303910262 1213923621 /nfs/dbraw/zinc/92/36/21/1213923621.db2.gz YSRNAGBIDJXYRV-INIZCTEOSA-N 2 1 347.482 2.137 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900893819 1234967713 /nfs/dbraw/zinc/96/77/13/1234967713.db2.gz DIOZDNIRDJVRNV-IBGZPJMESA-N 2 1 329.488 2.475 10 30 EEEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001491225258 1258809066 /nfs/dbraw/zinc/80/90/66/1258809066.db2.gz DCPCQFKOHUMXBQ-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001491225258 1258809075 /nfs/dbraw/zinc/80/90/75/1258809075.db2.gz DCPCQFKOHUMXBQ-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001491232244 1258817870 /nfs/dbraw/zinc/81/78/70/1258817870.db2.gz WSCRYRFIAHWLKP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001491232244 1258817877 /nfs/dbraw/zinc/81/78/77/1258817877.db2.gz WSCRYRFIAHWLKP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001491232244 1258817887 /nfs/dbraw/zinc/81/78/87/1258817887.db2.gz WSCRYRFIAHWLKP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001491232244 1258817896 /nfs/dbraw/zinc/81/78/96/1258817896.db2.gz WSCRYRFIAHWLKP-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273849094 1286761780 /nfs/dbraw/zinc/76/17/80/1286761780.db2.gz PUKWBVPIILXIRO-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(=C)C)C1 ZINC001278663013 1317593388 /nfs/dbraw/zinc/59/33/88/1317593388.db2.gz HPGDZPPRXTYQEG-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC(=C)C)C1 ZINC001278663013 1317593392 /nfs/dbraw/zinc/59/33/92/1317593392.db2.gz HPGDZPPRXTYQEG-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(=C)C)C1 ZINC001278663013 1317593398 /nfs/dbraw/zinc/59/33/98/1317593398.db2.gz HPGDZPPRXTYQEG-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(=C)C)C1 ZINC001278663013 1317593403 /nfs/dbraw/zinc/59/34/03/1317593403.db2.gz HPGDZPPRXTYQEG-AZUAARDMSA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001279104324 1322688646 /nfs/dbraw/zinc/68/86/46/1322688646.db2.gz AJIZXAQHJPOPNY-MRXNPFEDSA-N 2 1 330.476 2.212 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265104531 1322921024 /nfs/dbraw/zinc/92/10/24/1322921024.db2.gz WHVXJHDROPEYIJ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001265104531 1322921027 /nfs/dbraw/zinc/92/10/27/1322921027.db2.gz WHVXJHDROPEYIJ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001265104531 1322921028 /nfs/dbraw/zinc/92/10/28/1322921028.db2.gz WHVXJHDROPEYIJ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001265811003 1323393281 /nfs/dbraw/zinc/39/32/81/1323393281.db2.gz KICVFZBZNGDUNZ-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265910877 1323479465 /nfs/dbraw/zinc/47/94/65/1323479465.db2.gz SSZSOIVQZVETLW-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007452 1323561143 /nfs/dbraw/zinc/56/11/43/1323561143.db2.gz YTGIQNPQQMEMMA-SJLPKXTDSA-N 2 1 330.476 2.354 10 30 EEEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001282549467 1325739908 /nfs/dbraw/zinc/73/99/08/1325739908.db2.gz FYYXIAMDMBNSBN-YJBOKZPZSA-N 2 1 347.507 2.439 10 30 EEEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001282549467 1325739909 /nfs/dbraw/zinc/73/99/09/1325739909.db2.gz FYYXIAMDMBNSBN-YJBOKZPZSA-N 2 1 347.507 2.439 10 30 EEEEMP CC#CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001284846775 1326742007 /nfs/dbraw/zinc/74/20/07/1326742007.db2.gz SMYUJNGSENLBTD-UHFFFAOYSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001319038671 1332640222 /nfs/dbraw/zinc/64/02/22/1332640222.db2.gz SYWKNQMZGXJGJI-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/CCC ZINC001319080665 1332646645 /nfs/dbraw/zinc/64/66/45/1332646645.db2.gz GHZXMENOKXYJJQ-KAGICYHLSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/CCC ZINC001319080665 1332646648 /nfs/dbraw/zinc/64/66/48/1332646648.db2.gz GHZXMENOKXYJJQ-KAGICYHLSA-N 2 1 331.504 2.411 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285717 1332675533 /nfs/dbraw/zinc/67/55/33/1332675533.db2.gz PHXZTEUTMJGZHL-UYAOXDASSA-N 2 1 341.499 2.254 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322530555 1333277449 /nfs/dbraw/zinc/27/74/49/1333277449.db2.gz IDJHWVHFRFOENA-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001323733306 1333526856 /nfs/dbraw/zinc/52/68/56/1333526856.db2.gz DYVXHWXTHOUWDR-KRWDZBQOSA-N 2 1 342.487 2.335 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261909 1334814506 /nfs/dbraw/zinc/81/45/06/1334814506.db2.gz ISARHWFXEPMWEG-GOSISDBHSA-N 2 1 331.504 2.124 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001330528551 1334865167 /nfs/dbraw/zinc/86/51/67/1334865167.db2.gz JTDIFQUJRNNSHP-KDURUIRLSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332114075 1335733006 /nfs/dbraw/zinc/73/30/06/1335733006.db2.gz UQSRRTLSGANNTC-ICSRJNTNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332325596 1335802688 /nfs/dbraw/zinc/80/26/88/1335802688.db2.gz XZNMNRSVCRRSSR-DOTOQJQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746433 1342622311 /nfs/dbraw/zinc/62/23/11/1342622311.db2.gz INXUOCGRBVGGOZ-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566746433 1342622313 /nfs/dbraw/zinc/62/23/13/1342622313.db2.gz INXUOCGRBVGGOZ-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566746433 1342622315 /nfs/dbraw/zinc/62/23/15/1342622315.db2.gz INXUOCGRBVGGOZ-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566746433 1342622317 /nfs/dbraw/zinc/62/23/17/1342622317.db2.gz INXUOCGRBVGGOZ-FQEVSTJZSA-N 2 1 341.499 2.312 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001567234416 1342713968 /nfs/dbraw/zinc/71/39/68/1342713968.db2.gz QPRQBCXWKHOGIJ-HNNXBMFYSA-N 2 1 327.432 2.332 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001569575630 1342900353 /nfs/dbraw/zinc/90/03/53/1342900353.db2.gz YRLAJNZIJXGKFT-LJQANCHMSA-N 2 1 337.483 2.193 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640423 1343096502 /nfs/dbraw/zinc/09/65/02/1343096502.db2.gz AIYKGXDDQFSMMH-JKSUJKDBSA-N 2 1 333.451 2.002 10 30 EEEEMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001570732767 1343108986 /nfs/dbraw/zinc/10/89/86/1343108986.db2.gz YKLHYNIASSMEJQ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001570732767 1343108990 /nfs/dbraw/zinc/10/89/90/1343108990.db2.gz YKLHYNIASSMEJQ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001676837306 1357216393 /nfs/dbraw/zinc/21/63/93/1357216393.db2.gz GQFNLJRTPPWCJE-KZNAEPCWSA-N 2 1 330.476 2.374 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001660794617 1354540232 /nfs/dbraw/zinc/54/02/32/1354540232.db2.gz SJKRZVDWIVJBHO-UHFFFAOYSA-N 2 1 341.499 2.303 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001661474049 1354643893 /nfs/dbraw/zinc/64/38/93/1354643893.db2.gz UYHZBIFUHWQNKM-MPGHIAIKSA-N 2 1 325.472 2.402 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661554845 1354657645 /nfs/dbraw/zinc/65/76/45/1354657645.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554845 1354657646 /nfs/dbraw/zinc/65/76/46/1354657646.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554845 1354657650 /nfs/dbraw/zinc/65/76/50/1354657650.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001666927034 1355615780 /nfs/dbraw/zinc/61/57/80/1355615780.db2.gz GCNHMGFTDIAEEF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001666927034 1355615784 /nfs/dbraw/zinc/61/57/84/1355615784.db2.gz GCNHMGFTDIAEEF-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CC2CC2)CC1 ZINC001671481466 1356346730 /nfs/dbraw/zinc/34/67/30/1356346730.db2.gz LGDDOLVZTGGHNK-AZUAARDMSA-N 2 1 343.515 2.340 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001672233486 1356485733 /nfs/dbraw/zinc/48/57/33/1356485733.db2.gz BSWWPFYKMVTPBR-HOTGVXAUSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001675252792 1356951761 /nfs/dbraw/zinc/95/17/61/1356951761.db2.gz DXWHMQQJURMGAN-SJORKVTESA-N 2 1 325.472 2.050 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789136 1405486583 /nfs/dbraw/zinc/48/65/83/1405486583.db2.gz LNNZMHZFERPQFD-HDICACEKSA-N 2 1 333.520 2.441 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882427 779459028 /nfs/dbraw/zinc/45/90/28/779459028.db2.gz QLWJBCXDRUBLNM-KRWDZBQOSA-N 2 1 339.443 2.284 10 30 EEEEMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]CCC1(F)CCC1 ZINC000912506209 788214267 /nfs/dbraw/zinc/21/42/67/788214267.db2.gz LDILAFOQPFNNSL-UHFFFAOYSA-N 2 1 342.503 2.325 10 30 EEEEMP C#CC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC#C)C3)COC2)C1 ZINC000829810293 805405741 /nfs/dbraw/zinc/40/57/41/805405741.db2.gz NMAWSCAODBBYGX-WOJBJXKFSA-N 2 1 328.500 2.474 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001565995447 1125492097 /nfs/dbraw/zinc/49/20/97/1125492097.db2.gz RRUXROKMLXNJDR-MISYRCLQSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566075137 1125547676 /nfs/dbraw/zinc/54/76/76/1125547676.db2.gz PXBIFRGEOYLWPZ-QGZVFWFLSA-N 2 1 330.476 2.391 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654826 1093927966 /nfs/dbraw/zinc/92/79/66/1093927966.db2.gz XZOXMBNGQRHIQX-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654826 1093927968 /nfs/dbraw/zinc/92/79/68/1093927968.db2.gz XZOXMBNGQRHIQX-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654826 1093927972 /nfs/dbraw/zinc/92/79/72/1093927972.db2.gz XZOXMBNGQRHIQX-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001440753349 1093998231 /nfs/dbraw/zinc/99/82/31/1093998231.db2.gz UNGYGKCOGBWBGT-GPANFISMSA-N 2 1 327.900 2.344 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001440956760 1094211045 /nfs/dbraw/zinc/21/10/45/1094211045.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001440956760 1094211050 /nfs/dbraw/zinc/21/10/50/1094211050.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440956760 1094211056 /nfs/dbraw/zinc/21/10/56/1094211056.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472618 1100280239 /nfs/dbraw/zinc/28/02/39/1100280239.db2.gz QNJZCFQDDDSXQG-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001496610008 1101213180 /nfs/dbraw/zinc/21/31/80/1101213180.db2.gz ASNGLQITCJDDLE-QYZOEREBSA-N 2 1 329.488 2.248 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC001493897920 1103073287 /nfs/dbraw/zinc/07/32/87/1103073287.db2.gz IVPIKHBXLGJHCY-HKUYNNGSSA-N 2 1 338.455 2.387 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018128 1103354333 /nfs/dbraw/zinc/35/43/33/1103354333.db2.gz DZDKSFVSEDUVHW-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001494018128 1103354340 /nfs/dbraw/zinc/35/43/40/1103354340.db2.gz DZDKSFVSEDUVHW-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001494018128 1103354354 /nfs/dbraw/zinc/35/43/54/1103354354.db2.gz DZDKSFVSEDUVHW-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494148839 1103605055 /nfs/dbraw/zinc/60/50/55/1103605055.db2.gz GPGNXDGMVISCNF-OAHLLOKOSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCCCC)C2)CC1 ZINC001494179874 1103655313 /nfs/dbraw/zinc/65/53/13/1103655313.db2.gz VZZWYARIPLUVNS-SFHVURJKSA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001480666830 1106849587 /nfs/dbraw/zinc/84/95/87/1106849587.db2.gz YZPNAESTBRXFTR-MRXNPFEDSA-N 2 1 346.475 2.288 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498280940 1107208308 /nfs/dbraw/zinc/20/83/08/1107208308.db2.gz NJNXJVUWZGAYAL-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498280940 1107208318 /nfs/dbraw/zinc/20/83/18/1107208318.db2.gz NJNXJVUWZGAYAL-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498280940 1107208329 /nfs/dbraw/zinc/20/83/29/1107208329.db2.gz NJNXJVUWZGAYAL-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498280940 1107208336 /nfs/dbraw/zinc/20/83/36/1107208336.db2.gz NJNXJVUWZGAYAL-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001499576579 1112382662 /nfs/dbraw/zinc/38/26/62/1112382662.db2.gz LRAOGSMYKFFGIT-IBGZPJMESA-N 2 1 331.504 2.363 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001500096330 1112614890 /nfs/dbraw/zinc/61/48/90/1112614890.db2.gz FYLMIXCYYOBFDV-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219314 1113248467 /nfs/dbraw/zinc/24/84/67/1113248467.db2.gz GZZXTJPPTPUVNY-AKHDSKFASA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219314 1113248469 /nfs/dbraw/zinc/24/84/69/1113248469.db2.gz GZZXTJPPTPUVNY-AKHDSKFASA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219314 1113248471 /nfs/dbraw/zinc/24/84/71/1113248471.db2.gz GZZXTJPPTPUVNY-AKHDSKFASA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001501672426 1113427334 /nfs/dbraw/zinc/42/73/34/1113427334.db2.gz FDTFSAXDBVEMPO-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001501672426 1113427335 /nfs/dbraw/zinc/42/73/35/1113427335.db2.gz FDTFSAXDBVEMPO-LPHOPBHVSA-N 2 1 345.487 2.250 10 30 EEEEMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001502966449 1113863844 /nfs/dbraw/zinc/86/38/44/1113863844.db2.gz DGUBLQZQHIMJDO-KBPBESRZSA-N 2 1 334.489 2.041 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503001732 1113869654 /nfs/dbraw/zinc/86/96/54/1113869654.db2.gz IZWHDYQUGXYKRG-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC[C@H](C)F)CC2)CC1 ZINC001506979592 1115028375 /nfs/dbraw/zinc/02/83/75/1115028375.db2.gz YBHOLKJBRGOZSR-INIZCTEOSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001507090456 1115102751 /nfs/dbraw/zinc/10/27/51/1115102751.db2.gz IAQRXHPDUGPFLQ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001507090456 1115102752 /nfs/dbraw/zinc/10/27/52/1115102752.db2.gz IAQRXHPDUGPFLQ-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568329414 1124422050 /nfs/dbraw/zinc/42/20/50/1124422050.db2.gz XPWGXDZDXBEPFE-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713984 1124730965 /nfs/dbraw/zinc/73/09/65/1124730965.db2.gz MLUVNMFAQATSOG-AZUAARDMSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cccc1Cl ZINC001568997990 1125030597 /nfs/dbraw/zinc/03/05/97/1125030597.db2.gz RBRVPMWQJRZYSZ-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cccc1Cl ZINC001568997990 1125030605 /nfs/dbraw/zinc/03/06/05/1125030605.db2.gz RBRVPMWQJRZYSZ-QAPCUYQASA-N 2 1 347.890 2.340 10 30 EEEEMP CCc1nn(C)c(CC)c1CNC(N[C@@H]1CC[N@H+](CC)[C@H](C)C1)=[NH+]C ZINC000095974607 463120948 /nfs/dbraw/zinc/12/09/48/463120948.db2.gz IHVUJGYYZRBLRL-HUUCEWRRSA-N 2 1 348.539 2.083 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000178904041 464010021 /nfs/dbraw/zinc/01/00/21/464010021.db2.gz HTMOYZXCMAOYEH-UHFFFAOYSA-N 2 1 345.491 2.035 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000246099849 464545004 /nfs/dbraw/zinc/54/50/04/464545004.db2.gz HDCGQYDXOGWRCJ-MSOLQXFVSA-N 2 1 334.508 2.294 10 30 EEEEMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330545413 465700581 /nfs/dbraw/zinc/70/05/81/465700581.db2.gz UTNQBFDKQKENDN-APWZRJJASA-N 2 1 334.508 2.237 10 30 EEEEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595312451 468809103 /nfs/dbraw/zinc/80/91/03/468809103.db2.gz MUKCTEVISUYRLR-FQEVSTJZSA-N 2 1 326.488 2.203 10 30 EEEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595312451 468809105 /nfs/dbraw/zinc/80/91/05/468809105.db2.gz MUKCTEVISUYRLR-FQEVSTJZSA-N 2 1 326.488 2.203 10 30 EEEEMP C[C@@H](CC#N)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602592705 469376460 /nfs/dbraw/zinc/37/64/60/469376460.db2.gz KWTACNKADCDWGK-INIZCTEOSA-N 2 1 328.460 2.131 10 30 EEEEMP N#CC1(c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000596980897 469429914 /nfs/dbraw/zinc/42/99/14/469429914.db2.gz WKFVDVKFAUIZKM-UHFFFAOYSA-N 2 1 338.499 2.455 10 30 EEEEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000597004839 490679784 /nfs/dbraw/zinc/67/97/84/490679784.db2.gz RKCVCDNWNADPOK-HXUWFJFHSA-N 2 1 338.499 2.454 10 30 EEEEMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000597004839 490679790 /nfs/dbraw/zinc/67/97/90/490679790.db2.gz RKCVCDNWNADPOK-HXUWFJFHSA-N 2 1 338.499 2.454 10 30 EEEEMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156813 684144229 /nfs/dbraw/zinc/14/42/29/684144229.db2.gz GVYGSMVFYWDPKT-XSLAGTTESA-N 2 1 329.444 2.009 10 30 EEEEMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156813 684144233 /nfs/dbraw/zinc/14/42/33/684144233.db2.gz GVYGSMVFYWDPKT-XSLAGTTESA-N 2 1 329.444 2.009 10 30 EEEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001485670276 1191890031 /nfs/dbraw/zinc/89/00/31/1191890031.db2.gz PRGHGZAFZPEAEX-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001485670276 1191890033 /nfs/dbraw/zinc/89/00/33/1191890033.db2.gz PRGHGZAFZPEAEX-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001485670276 1191890036 /nfs/dbraw/zinc/89/00/36/1191890036.db2.gz PRGHGZAFZPEAEX-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001485778416 1191934970 /nfs/dbraw/zinc/93/49/70/1191934970.db2.gz FPOBPSFEPYOVMD-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001272734110 1192404953 /nfs/dbraw/zinc/40/49/53/1192404953.db2.gz LIMCFRINDAXDHY-ULQDDVLXSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001480875883 1176623843 /nfs/dbraw/zinc/62/38/43/1176623843.db2.gz WVIHAEFTFMHRJW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001480875883 1176623850 /nfs/dbraw/zinc/62/38/50/1176623850.db2.gz WVIHAEFTFMHRJW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001480875883 1176623852 /nfs/dbraw/zinc/62/38/52/1176623852.db2.gz WVIHAEFTFMHRJW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001480875883 1176623856 /nfs/dbraw/zinc/62/38/56/1176623856.db2.gz WVIHAEFTFMHRJW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001266556826 1176838096 /nfs/dbraw/zinc/83/80/96/1176838096.db2.gz AHVRBIMMDGMCDP-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691162044 1177660488 /nfs/dbraw/zinc/66/04/88/1177660488.db2.gz SVEQIYZVYBIJSX-UFYCRDLUSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267196929 1178474016 /nfs/dbraw/zinc/47/40/16/1178474016.db2.gz ODBWNRDFMNCGAT-HKUYNNGSSA-N 2 1 333.520 2.348 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)C1 ZINC001691441346 1178633910 /nfs/dbraw/zinc/63/39/10/1178633910.db2.gz NVFIGFWQEOEEOI-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001481185170 1180024869 /nfs/dbraw/zinc/02/48/69/1180024869.db2.gz WDZUBNUDGKSHKI-LJQANCHMSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001481185170 1180024873 /nfs/dbraw/zinc/02/48/73/1180024873.db2.gz WDZUBNUDGKSHKI-LJQANCHMSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001481185170 1180024881 /nfs/dbraw/zinc/02/48/81/1180024881.db2.gz WDZUBNUDGKSHKI-LJQANCHMSA-N 2 1 331.504 2.387 10 30 EEEEMP C=CCC[NH+](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481186715 1180031349 /nfs/dbraw/zinc/03/13/49/1180031349.db2.gz VNOWCUSLYKZMKO-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001267925785 1180773752 /nfs/dbraw/zinc/77/37/52/1180773752.db2.gz NECJWCPIBYCIKC-NCXUSEDFSA-N 2 1 349.519 2.223 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358017 1181116489 /nfs/dbraw/zinc/11/64/89/1181116489.db2.gz JHSWSIDPQLDWJE-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358017 1181116494 /nfs/dbraw/zinc/11/64/94/1181116494.db2.gz JHSWSIDPQLDWJE-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358017 1181116501 /nfs/dbraw/zinc/11/65/01/1181116501.db2.gz JHSWSIDPQLDWJE-LJQANCHMSA-N 2 1 342.487 2.227 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001481536945 1181674282 /nfs/dbraw/zinc/67/42/82/1181674282.db2.gz XVBZUIBWVOMKRQ-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481536945 1181674285 /nfs/dbraw/zinc/67/42/85/1181674285.db2.gz XVBZUIBWVOMKRQ-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481536945 1181674291 /nfs/dbraw/zinc/67/42/91/1181674291.db2.gz XVBZUIBWVOMKRQ-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCCC1 ZINC001268239331 1182064613 /nfs/dbraw/zinc/06/46/13/1182064613.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCCC1 ZINC001268239331 1182064616 /nfs/dbraw/zinc/06/46/16/1182064616.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCCC1 ZINC001268239331 1182064619 /nfs/dbraw/zinc/06/46/19/1182064619.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCCC1 ZINC001268239331 1182064623 /nfs/dbraw/zinc/06/46/23/1182064623.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCCC1 ZINC001268239331 1182064625 /nfs/dbraw/zinc/06/46/25/1182064625.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001481984432 1183087143 /nfs/dbraw/zinc/08/71/43/1183087143.db2.gz MDRYJYYDSUSJSO-OALUTQOASA-N 2 1 333.520 2.350 10 30 EEEEMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001269574792 1184403545 /nfs/dbraw/zinc/40/35/45/1184403545.db2.gz ADKPFNNARKCBMJ-YQQQUEKLSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001269921086 1184719417 /nfs/dbraw/zinc/71/94/17/1184719417.db2.gz YBUCCFHPQCCCKE-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270331640 1185024310 /nfs/dbraw/zinc/02/43/10/1185024310.db2.gz KMKUMZZKJCFXMY-HKUYNNGSSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001270761017 1185371777 /nfs/dbraw/zinc/37/17/77/1185371777.db2.gz RUUSMCOULHUXPR-FQEVSTJZSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001270965578 1185776606 /nfs/dbraw/zinc/77/66/06/1185776606.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN(C/C=C\Cl)C1 ZINC001270965578 1185776611 /nfs/dbraw/zinc/77/66/11/1185776611.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 1 337.895 2.055 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001271528978 1186293466 /nfs/dbraw/zinc/29/34/66/1186293466.db2.gz DJBNWHXEULCGIZ-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001271750294 1186458667 /nfs/dbraw/zinc/45/86/67/1186458667.db2.gz OQGMJSPGPKMERQ-REPLKXPHSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484008425 1191152868 /nfs/dbraw/zinc/15/28/68/1191152868.db2.gz DAGHPCGREQDIQX-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001484138931 1191229937 /nfs/dbraw/zinc/22/99/37/1191229937.db2.gz SHLWHFOOJRFDTL-QZTJIDSGSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727361 1191486975 /nfs/dbraw/zinc/48/69/75/1191486975.db2.gz BVHLEGMARXZEKY-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001484815604 1191534681 /nfs/dbraw/zinc/53/46/81/1191534681.db2.gz QEFGMGCLPJZVOC-QGZVFWFLSA-N 2 1 342.487 2.138 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386855 1191774322 /nfs/dbraw/zinc/77/43/22/1191774322.db2.gz AMFGYWLNPQHFRI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001485386855 1191774323 /nfs/dbraw/zinc/77/43/23/1191774323.db2.gz AMFGYWLNPQHFRI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001485386855 1191774324 /nfs/dbraw/zinc/77/43/24/1191774324.db2.gz AMFGYWLNPQHFRI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001486152001 1193702450 /nfs/dbraw/zinc/70/24/50/1193702450.db2.gz ZQXJEKWOMOXZCJ-YOEHRIQHSA-N 2 1 325.884 2.194 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001486152001 1193702452 /nfs/dbraw/zinc/70/24/52/1193702452.db2.gz ZQXJEKWOMOXZCJ-YOEHRIQHSA-N 2 1 325.884 2.194 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC001486243196 1193769592 /nfs/dbraw/zinc/76/95/92/1193769592.db2.gz FIRUVNRTUJVSFR-KRWDZBQOSA-N 2 1 339.443 2.284 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000872175723 1198071591 /nfs/dbraw/zinc/07/15/91/1198071591.db2.gz OCEXKLMQJDGLLS-GFCCVEGCSA-N 2 1 337.811 2.214 10 30 EEEEMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCO1 ZINC000883189124 1202028395 /nfs/dbraw/zinc/02/83/95/1202028395.db2.gz YRJKAYCUSYCUNU-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274096508 1204368756 /nfs/dbraw/zinc/36/87/56/1204368756.db2.gz GAOVPBZOUVPRLE-QDYBUIJZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001274096508 1204368760 /nfs/dbraw/zinc/36/87/60/1204368760.db2.gz GAOVPBZOUVPRLE-QDYBUIJZSA-N 2 1 343.446 2.246 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274719531 1205142092 /nfs/dbraw/zinc/14/20/92/1205142092.db2.gz AOMJFYIQWZWLEN-AZUAARDMSA-N 2 1 341.499 2.395 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574041 1205423174 /nfs/dbraw/zinc/42/31/74/1205423174.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574041 1205423175 /nfs/dbraw/zinc/42/31/75/1205423175.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574041 1205423177 /nfs/dbraw/zinc/42/31/77/1205423177.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001275574041 1205423179 /nfs/dbraw/zinc/42/31/79/1205423179.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001275574041 1205423180 /nfs/dbraw/zinc/42/31/80/1205423180.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001273599457 1280825535 /nfs/dbraw/zinc/82/55/35/1280825535.db2.gz RINLNWALFARJEP-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599457 1280825546 /nfs/dbraw/zinc/82/55/46/1280825546.db2.gz RINLNWALFARJEP-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599457 1280825560 /nfs/dbraw/zinc/82/55/60/1280825560.db2.gz RINLNWALFARJEP-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001273765161 1285132823 /nfs/dbraw/zinc/13/28/23/1285132823.db2.gz LWJMMLMNWBZOOO-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001273771145 1285327302 /nfs/dbraw/zinc/32/73/02/1285327302.db2.gz ABSDRLZYSDNANH-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001488596254 1290078252 /nfs/dbraw/zinc/07/82/52/1290078252.db2.gz CJTZBOUKPSKWQF-AQNXPRMDSA-N 2 1 339.483 2.149 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001276921098 1300269953 /nfs/dbraw/zinc/26/99/53/1300269953.db2.gz HJUFVCRLQLIHIC-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308024 1323058139 /nfs/dbraw/zinc/05/81/39/1323058139.db2.gz KMPFFRFMCNEGEC-MRXNPFEDSA-N 2 1 325.416 2.038 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308024 1323058145 /nfs/dbraw/zinc/05/81/45/1323058145.db2.gz KMPFFRFMCNEGEC-MRXNPFEDSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001265978680 1323538585 /nfs/dbraw/zinc/53/85/85/1323538585.db2.gz URVKUFFTJZLKQC-RLLQIKCJSA-N 2 1 345.531 2.206 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C#N)s1 ZINC001266100651 1323663964 /nfs/dbraw/zinc/66/39/64/1323663964.db2.gz GVBVXPGNYLQNCN-UHFFFAOYSA-N 2 1 346.500 2.044 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001280775258 1324501501 /nfs/dbraw/zinc/50/15/01/1324501501.db2.gz BUQVHXVFRLEKKD-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001280775258 1324501506 /nfs/dbraw/zinc/50/15/06/1324501506.db2.gz BUQVHXVFRLEKKD-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001280775258 1324501508 /nfs/dbraw/zinc/50/15/08/1324501508.db2.gz BUQVHXVFRLEKKD-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001280775258 1324501512 /nfs/dbraw/zinc/50/15/12/1324501512.db2.gz BUQVHXVFRLEKKD-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001282310046 1325685324 /nfs/dbraw/zinc/68/53/24/1325685324.db2.gz DUDXYQNRXPVOPB-INIZCTEOSA-N 2 1 332.492 2.404 10 30 EEEEMP O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001283051914 1325901503 /nfs/dbraw/zinc/90/15/03/1325901503.db2.gz VWGCNXNQBLKBKD-NCXUSEDFSA-N 2 1 348.450 2.049 10 30 EEEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001283068939 1325907503 /nfs/dbraw/zinc/90/75/03/1325907503.db2.gz IXQXKKXJGVLIGK-ZHALLVOQSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001283080899 1325912236 /nfs/dbraw/zinc/91/22/36/1325912236.db2.gz WKZGIDXRVWYAJF-BRWVUGGUSA-N 2 1 330.476 2.205 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283260187 1325976286 /nfs/dbraw/zinc/97/62/86/1325976286.db2.gz MEYMWEVHWXBREZ-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001283350209 1326023969 /nfs/dbraw/zinc/02/39/69/1326023969.db2.gz GRPYEJACIBSJRB-LJQANCHMSA-N 2 1 341.499 2.360 10 30 EEEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001284015381 1326363775 /nfs/dbraw/zinc/36/37/75/1326363775.db2.gz FWSQAIILZKUCOM-NVXWUHKLSA-N 2 1 339.443 2.426 10 30 EEEEMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001492111011 1330479720 /nfs/dbraw/zinc/47/97/20/1330479720.db2.gz YMQQIZWGYWQPNY-ZBFHGGJFSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001316758850 1331875823 /nfs/dbraw/zinc/87/58/23/1331875823.db2.gz OIPOMNSAZRIOAH-CVEARBPZSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001316758850 1331875827 /nfs/dbraw/zinc/87/58/27/1331875827.db2.gz OIPOMNSAZRIOAH-CVEARBPZSA-N 2 1 327.900 2.251 10 30 EEEEMP CC[C@H](C(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001316835395 1331922936 /nfs/dbraw/zinc/92/29/36/1331922936.db2.gz OKWZOZCQTWAVRU-GOSISDBHSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001317773994 1332404695 /nfs/dbraw/zinc/40/46/95/1332404695.db2.gz VHVAANDDFUMUDP-LJQANCHMSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001318445645 1332536869 /nfs/dbraw/zinc/53/68/69/1332536869.db2.gz OLDBJKAYDZMQMO-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001318983908 1332632486 /nfs/dbraw/zinc/63/24/86/1332632486.db2.gz PJDQUXZEGBIIBH-BZSNNMDCSA-N 2 1 337.508 2.080 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321992141 1333191621 /nfs/dbraw/zinc/19/16/21/1333191621.db2.gz VTUDAYFEHGHKTP-CVEARBPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2csc(C)c2)CC1 ZINC001322306344 1333244456 /nfs/dbraw/zinc/24/44/56/1333244456.db2.gz KATIMQRLZPBXSS-OAHLLOKOSA-N 2 1 347.528 2.338 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001324786823 1333760116 /nfs/dbraw/zinc/76/01/16/1333760116.db2.gz AZBAGRFSBFRKPC-OAQYLSRUSA-N 2 1 341.499 2.012 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325053019 1333818976 /nfs/dbraw/zinc/81/89/76/1333818976.db2.gz FTOULZQDXWUFLR-HUUCEWRRSA-N 2 1 331.451 2.222 10 30 EEEEMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001325363918 1333872513 /nfs/dbraw/zinc/87/25/13/1333872513.db2.gz VPGBUJSJYWAVMF-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614872 1334684954 /nfs/dbraw/zinc/68/49/54/1334684954.db2.gz XSHSJOAATZQMIZ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614872 1334684957 /nfs/dbraw/zinc/68/49/57/1334684957.db2.gz XSHSJOAATZQMIZ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614872 1334684959 /nfs/dbraw/zinc/68/49/59/1334684959.db2.gz XSHSJOAATZQMIZ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614872 1334684963 /nfs/dbraw/zinc/68/49/63/1334684963.db2.gz XSHSJOAATZQMIZ-RDJZCZTQSA-N 2 1 347.890 2.080 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001333365910 1336022714 /nfs/dbraw/zinc/02/27/14/1336022714.db2.gz YNQVGSIUJVZHLB-UHFFFAOYSA-N 2 1 349.438 2.012 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001333365910 1336022717 /nfs/dbraw/zinc/02/27/17/1336022717.db2.gz YNQVGSIUJVZHLB-UHFFFAOYSA-N 2 1 349.438 2.012 10 30 EEEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001506575489 1342255732 /nfs/dbraw/zinc/25/57/32/1342255732.db2.gz MKHLDHKYIVBRGT-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566689854 1342603819 /nfs/dbraw/zinc/60/38/19/1342603819.db2.gz WBESLNYKRONAST-ZWKOTPCHSA-N 2 1 349.519 2.033 10 30 EEEEMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001567571078 1342786183 /nfs/dbraw/zinc/78/61/83/1342786183.db2.gz NCNGYBFGJOVUIE-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001569518092 1342891498 /nfs/dbraw/zinc/89/14/98/1342891498.db2.gz BUQDNUGVBALAMD-LSDHHAIUSA-N 2 1 334.464 2.285 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001569597478 1342905614 /nfs/dbraw/zinc/90/56/14/1342905614.db2.gz GAJMXUWLMJWAIO-UXHICEINSA-N 2 1 335.451 2.314 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723122 1342932559 /nfs/dbraw/zinc/93/25/59/1342932559.db2.gz BSXYEPOAINARDH-HXUWFJFHSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001569877359 1342966483 /nfs/dbraw/zinc/96/64/83/1342966483.db2.gz JIXZXXUSFMZVHZ-OTWHNJEPSA-N 2 1 345.531 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001569877359 1342966487 /nfs/dbraw/zinc/96/64/87/1342966487.db2.gz JIXZXXUSFMZVHZ-OTWHNJEPSA-N 2 1 345.531 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001569877359 1342966490 /nfs/dbraw/zinc/96/64/90/1342966490.db2.gz JIXZXXUSFMZVHZ-OTWHNJEPSA-N 2 1 345.531 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001569877359 1342966492 /nfs/dbraw/zinc/96/64/92/1342966492.db2.gz JIXZXXUSFMZVHZ-OTWHNJEPSA-N 2 1 345.531 2.301 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001571564485 1343238920 /nfs/dbraw/zinc/23/89/20/1343238920.db2.gz DOZARXWTPQARCR-MRXNPFEDSA-N 2 1 348.491 2.036 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001657075575 1354316860 /nfs/dbraw/zinc/31/68/60/1354316860.db2.gz FHNACEQYPADPRZ-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001657075575 1354316863 /nfs/dbraw/zinc/31/68/63/1354316863.db2.gz FHNACEQYPADPRZ-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001660409083 1354459849 /nfs/dbraw/zinc/45/98/49/1354459849.db2.gz TYPSVCITOVPQPM-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001660409083 1354459854 /nfs/dbraw/zinc/45/98/54/1354459854.db2.gz TYPSVCITOVPQPM-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001660409083 1354459859 /nfs/dbraw/zinc/45/98/59/1354459859.db2.gz TYPSVCITOVPQPM-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661220582 1354611197 /nfs/dbraw/zinc/61/11/97/1354611197.db2.gz GNCJIUKVDQQNKH-SFHVURJKSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001667426009 1355739177 /nfs/dbraw/zinc/73/91/77/1355739177.db2.gz FKPBEQBJMBSJCQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001667426009 1355739179 /nfs/dbraw/zinc/73/91/79/1355739179.db2.gz FKPBEQBJMBSJCQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001667426009 1355739182 /nfs/dbraw/zinc/73/91/82/1355739182.db2.gz FKPBEQBJMBSJCQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001667426009 1355739185 /nfs/dbraw/zinc/73/91/85/1355739185.db2.gz FKPBEQBJMBSJCQ-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)sc1C ZINC001667581080 1355764269 /nfs/dbraw/zinc/76/42/69/1355764269.db2.gz UTONYVTUCOMTPW-SFHVURJKSA-N 2 1 347.528 2.353 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)sc1C ZINC001667581080 1355764272 /nfs/dbraw/zinc/76/42/72/1355764272.db2.gz UTONYVTUCOMTPW-SFHVURJKSA-N 2 1 347.528 2.353 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)sc1C ZINC001667581080 1355764277 /nfs/dbraw/zinc/76/42/77/1355764277.db2.gz UTONYVTUCOMTPW-SFHVURJKSA-N 2 1 347.528 2.353 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)sc1C ZINC001667581080 1355764283 /nfs/dbraw/zinc/76/42/83/1355764283.db2.gz UTONYVTUCOMTPW-SFHVURJKSA-N 2 1 347.528 2.353 10 30 EEEEMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001672170304 1356472640 /nfs/dbraw/zinc/47/26/40/1356472640.db2.gz DQUWZKBKJWFPLS-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001672233487 1356485530 /nfs/dbraw/zinc/48/55/30/1356485530.db2.gz BSWWPFYKMVTPBR-HZPDHXFCSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001672916726 1356614937 /nfs/dbraw/zinc/61/49/37/1356614937.db2.gz RIQPJQHZEGTPHR-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001698953976 1405186470 /nfs/dbraw/zinc/18/64/70/1405186470.db2.gz MPSDNXAFSBXPMY-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699116320 1405271492 /nfs/dbraw/zinc/27/14/92/1405271492.db2.gz WXWODSXAFDEACN-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC1(C)C ZINC000940807195 779317039 /nfs/dbraw/zinc/31/70/39/779317039.db2.gz JURYUVGVWZHGON-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC1(C)C ZINC000940807195 779317043 /nfs/dbraw/zinc/31/70/43/779317043.db2.gz JURYUVGVWZHGON-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC1(C)C ZINC000940807195 779317051 /nfs/dbraw/zinc/31/70/51/779317051.db2.gz JURYUVGVWZHGON-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC1(C)C ZINC000940807195 779317053 /nfs/dbraw/zinc/31/70/53/779317053.db2.gz JURYUVGVWZHGON-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001437010948 1088788017 /nfs/dbraw/zinc/78/80/17/1088788017.db2.gz NPWZEIDAICRTIS-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001439328010 1092009085 /nfs/dbraw/zinc/00/90/85/1092009085.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001439328010 1092009098 /nfs/dbraw/zinc/00/90/98/1092009098.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001439328010 1092009103 /nfs/dbraw/zinc/00/91/03/1092009103.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001439328010 1092009112 /nfs/dbraw/zinc/00/91/12/1092009112.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001439328010 1092009118 /nfs/dbraw/zinc/00/91/18/1092009118.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 1 348.516 2.287 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439330788 1092015477 /nfs/dbraw/zinc/01/54/77/1092015477.db2.gz KJEGKXVVRQDWMG-AWEZNQCLSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001439330788 1092015486 /nfs/dbraw/zinc/01/54/86/1092015486.db2.gz KJEGKXVVRQDWMG-AWEZNQCLSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439330788 1092015497 /nfs/dbraw/zinc/01/54/97/1092015497.db2.gz KJEGKXVVRQDWMG-AWEZNQCLSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001446330669 1092528438 /nfs/dbraw/zinc/52/84/38/1092528438.db2.gz NZCGNJGCLCAHHJ-UHFFFAOYSA-N 2 1 327.900 2.394 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1C#N ZINC001448707310 1093774606 /nfs/dbraw/zinc/77/46/06/1093774606.db2.gz GMACDPUZWARCGF-ULQDDVLXSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001442131485 1096373619 /nfs/dbraw/zinc/37/36/19/1096373619.db2.gz RERYTBOECCVYEQ-OAHLLOKOSA-N 2 1 346.450 2.168 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627099 1101231640 /nfs/dbraw/zinc/23/16/40/1101231640.db2.gz ISVMOUVSPSDBOS-MOPGFXCFSA-N 2 1 342.487 2.130 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810542 1101625708 /nfs/dbraw/zinc/62/57/08/1101625708.db2.gz BMUWKZUJEVMTSN-INIZCTEOSA-N 2 1 349.906 2.374 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001495963200 1101841157 /nfs/dbraw/zinc/84/11/57/1101841157.db2.gz FATOPHONNATRQA-IRXDYDNUSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001495963200 1101841166 /nfs/dbraw/zinc/84/11/66/1101841166.db2.gz FATOPHONNATRQA-IRXDYDNUSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001480706535 1106924012 /nfs/dbraw/zinc/92/40/12/1106924012.db2.gz FMLSLKBVOXVXJX-IRXDYDNUSA-N 2 1 339.443 2.474 10 30 EEEEMP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493583863 1108356387 /nfs/dbraw/zinc/35/63/87/1108356387.db2.gz KBYBNDMDAVTJOU-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615832 1112413257 /nfs/dbraw/zinc/41/32/57/1112413257.db2.gz IOCAYOBQMYMFEF-FQEVSTJZSA-N 2 1 333.520 2.446 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001501143098 1113213258 /nfs/dbraw/zinc/21/32/58/1113213258.db2.gz JDXAHEZHFNQGSB-JKSUJKDBSA-N 2 1 339.443 2.141 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505430857 1113964426 /nfs/dbraw/zinc/96/44/26/1113964426.db2.gz KZLPHUGDVPMNLU-OWCLPIDISA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505430857 1113964428 /nfs/dbraw/zinc/96/44/28/1113964428.db2.gz KZLPHUGDVPMNLU-OWCLPIDISA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001505430857 1113964430 /nfs/dbraw/zinc/96/44/30/1113964430.db2.gz KZLPHUGDVPMNLU-OWCLPIDISA-N 2 1 327.900 2.392 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001505430857 1113964431 /nfs/dbraw/zinc/96/44/31/1113964431.db2.gz KZLPHUGDVPMNLU-OWCLPIDISA-N 2 1 327.900 2.392 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC=C)CC1 ZINC001505466208 1114001377 /nfs/dbraw/zinc/00/13/77/1114001377.db2.gz UOYPMHUIAZUGNB-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001568241181 1124380748 /nfs/dbraw/zinc/38/07/48/1124380748.db2.gz IOQIWDGMTFYSCY-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001568506557 1124561676 /nfs/dbraw/zinc/56/16/76/1124561676.db2.gz QOUDXYZZNWGXRG-UHFFFAOYSA-N 2 1 341.499 2.304 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001568506557 1124561681 /nfs/dbraw/zinc/56/16/81/1124561681.db2.gz QOUDXYZZNWGXRG-UHFFFAOYSA-N 2 1 341.499 2.304 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C#N)c1 ZINC001568747548 1124760903 /nfs/dbraw/zinc/76/09/03/1124760903.db2.gz LNBHPTXACBLTIA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000594441577 468589315 /nfs/dbraw/zinc/58/93/15/468589315.db2.gz SUYHTMGRVUXFCL-DZGCQCFKSA-N 2 1 334.489 2.022 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000594441577 468589318 /nfs/dbraw/zinc/58/93/18/468589318.db2.gz SUYHTMGRVUXFCL-DZGCQCFKSA-N 2 1 334.489 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1Cl ZINC001266728795 1177314022 /nfs/dbraw/zinc/31/40/22/1177314022.db2.gz LMBJONXWXGHAAX-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1Cl ZINC001266728795 1177314031 /nfs/dbraw/zinc/31/40/31/1177314031.db2.gz LMBJONXWXGHAAX-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427884 1178316203 /nfs/dbraw/zinc/31/62/03/1178316203.db2.gz GLXFZYXQGNMJPC-QRQLOZEOSA-N 2 1 331.504 2.101 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981592 1183076156 /nfs/dbraw/zinc/07/61/56/1183076156.db2.gz SZJXWYNZFXVGBF-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC001268551625 1183236669 /nfs/dbraw/zinc/23/66/69/1183236669.db2.gz CWUZEPWAMZLVOJ-TYLRKXQCSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC001268551625 1183236673 /nfs/dbraw/zinc/23/66/73/1183236673.db2.gz CWUZEPWAMZLVOJ-TYLRKXQCSA-N 2 1 325.456 2.107 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270797415 1185392443 /nfs/dbraw/zinc/39/24/43/1185392443.db2.gz OCOXFDQFISBPNN-IBGZPJMESA-N 2 1 346.475 2.288 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001271072608 1185858861 /nfs/dbraw/zinc/85/88/61/1185858861.db2.gz GCTMWPCMSVNZAD-KRWDZBQOSA-N 2 1 337.508 2.080 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271102078 1185887107 /nfs/dbraw/zinc/88/71/07/1185887107.db2.gz XELKZMUIRSSLER-CABCVRRESA-N 2 1 331.451 2.366 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001271772785 1186474755 /nfs/dbraw/zinc/47/47/55/1186474755.db2.gz VKSAXFZWCQVNCB-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001271772785 1186474756 /nfs/dbraw/zinc/47/47/56/1186474756.db2.gz VKSAXFZWCQVNCB-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001271772785 1186474759 /nfs/dbraw/zinc/47/47/59/1186474759.db2.gz VKSAXFZWCQVNCB-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP CN(CC[N@@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607917 1187363924 /nfs/dbraw/zinc/36/39/24/1187363924.db2.gz RPERUWAGBKCNJC-GOSISDBHSA-N 2 1 346.450 2.072 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482888317 1187814857 /nfs/dbraw/zinc/81/48/57/1187814857.db2.gz IUDPFUPAGCRGME-HUUCEWRRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CC[N@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@@H](C)C3)cccc2C1 ZINC001272916546 1193602564 /nfs/dbraw/zinc/60/25/64/1193602564.db2.gz BBSGZOGUQBLVEI-MRXNPFEDSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@@H](C)C3)cccc2C1 ZINC001272916546 1193602566 /nfs/dbraw/zinc/60/25/66/1193602566.db2.gz BBSGZOGUQBLVEI-MRXNPFEDSA-N 2 1 327.472 2.189 10 30 EEEEMP C=C(Br)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001409835931 1190667086 /nfs/dbraw/zinc/66/70/86/1190667086.db2.gz VZJIFIWUEBTXMR-KGLIPLIRSA-N 2 1 346.313 2.254 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483967977 1191135892 /nfs/dbraw/zinc/13/58/92/1191135892.db2.gz RGCAWLIHJQIPHO-MSOLQXFVSA-N 2 1 349.519 2.177 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001484143713 1191233275 /nfs/dbraw/zinc/23/32/75/1191233275.db2.gz OUEQOWHRMAICOT-MSOLQXFVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484168373 1191255070 /nfs/dbraw/zinc/25/50/70/1191255070.db2.gz XGLCYVBSPCBCGX-QUCCMNQESA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484168373 1191255071 /nfs/dbraw/zinc/25/50/71/1191255071.db2.gz XGLCYVBSPCBCGX-QUCCMNQESA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484168373 1191255072 /nfs/dbraw/zinc/25/50/72/1191255072.db2.gz XGLCYVBSPCBCGX-QUCCMNQESA-N 2 1 333.520 2.350 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001484471176 1191375533 /nfs/dbraw/zinc/37/55/33/1191375533.db2.gz JMWFZKGXQXOXAG-RYQLBKOJSA-N 2 1 330.476 2.469 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001484471176 1191375535 /nfs/dbraw/zinc/37/55/35/1191375535.db2.gz JMWFZKGXQXOXAG-RYQLBKOJSA-N 2 1 330.476 2.469 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691682288 1197488170 /nfs/dbraw/zinc/48/81/70/1197488170.db2.gz HNCGFWFDXVGFMD-IEBWSBKVSA-N 2 1 333.520 2.489 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410949473 1198615166 /nfs/dbraw/zinc/61/51/66/1198615166.db2.gz FXOQPXGUIKDSNR-UONOGXRCSA-N 2 1 346.313 2.110 10 30 EEEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001691726952 1204226739 /nfs/dbraw/zinc/22/67/39/1204226739.db2.gz RLXGMQVEIUSBKL-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001691726952 1204226741 /nfs/dbraw/zinc/22/67/41/1204226741.db2.gz RLXGMQVEIUSBKL-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001691726952 1204226743 /nfs/dbraw/zinc/22/67/43/1204226743.db2.gz RLXGMQVEIUSBKL-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185458 1205277621 /nfs/dbraw/zinc/27/76/21/1205277621.db2.gz YJSXFLSZWURLLW-PMACEKPBSA-N 2 1 345.531 2.446 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473345 1259118288 /nfs/dbraw/zinc/11/82/88/1259118288.db2.gz JGPYNJDGJIELJO-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001276803265 1297960367 /nfs/dbraw/zinc/96/03/67/1297960367.db2.gz YHWHQTQVGYZWSD-WMZOPIPTSA-N 2 1 348.491 2.143 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786036 1304484005 /nfs/dbraw/zinc/48/40/05/1304484005.db2.gz SBJIXMYLRCWHSU-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786036 1304484010 /nfs/dbraw/zinc/48/40/10/1304484010.db2.gz SBJIXMYLRCWHSU-PKOBYXMFSA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001278667643 1317607949 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2 1 342.487 2.371 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596572 1323253863 /nfs/dbraw/zinc/25/38/63/1323253863.db2.gz GDOLEQLEWAXXNO-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266174610 1323742326 /nfs/dbraw/zinc/74/23/26/1323742326.db2.gz NYJDSNNJKBYHPT-UHFFFAOYSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC001266174610 1323742329 /nfs/dbraw/zinc/74/23/29/1323742329.db2.gz NYJDSNNJKBYHPT-UHFFFAOYSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC001266174610 1323742335 /nfs/dbraw/zinc/74/23/35/1323742335.db2.gz NYJDSNNJKBYHPT-UHFFFAOYSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001276603451 1324734651 /nfs/dbraw/zinc/73/46/51/1324734651.db2.gz OIWPLVZHIJOINI-MOPGFXCFSA-N 2 1 329.488 2.069 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001276603451 1324734656 /nfs/dbraw/zinc/73/46/56/1324734656.db2.gz OIWPLVZHIJOINI-MOPGFXCFSA-N 2 1 329.488 2.069 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098045 1324760710 /nfs/dbraw/zinc/76/07/10/1324760710.db2.gz AOAZQBYVDPYQQK-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364327 1325700200 /nfs/dbraw/zinc/70/02/00/1325700200.db2.gz MIPISIRLXOLTDE-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364327 1325700203 /nfs/dbraw/zinc/70/02/03/1325700203.db2.gz MIPISIRLXOLTDE-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364327 1325700206 /nfs/dbraw/zinc/70/02/06/1325700206.db2.gz MIPISIRLXOLTDE-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364327 1325700207 /nfs/dbraw/zinc/70/02/07/1325700207.db2.gz MIPISIRLXOLTDE-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC001283925104 1326322367 /nfs/dbraw/zinc/32/23/67/1326322367.db2.gz BZWLZIDWVSDLRK-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001284323304 1326504103 /nfs/dbraw/zinc/50/41/03/1326504103.db2.gz MBLABOAREBCBOK-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1 ZINC001284349299 1326514271 /nfs/dbraw/zinc/51/42/71/1326514271.db2.gz XMRBTZDMNQDSRN-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001284959779 1326796439 /nfs/dbraw/zinc/79/64/39/1326796439.db2.gz OTSDMGRIFSBCIW-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578835 1330171625 /nfs/dbraw/zinc/17/16/25/1330171625.db2.gz HLESIZUDFWANJZ-JKSUJKDBSA-N 2 1 347.890 2.128 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413453 1332218927 /nfs/dbraw/zinc/21/89/27/1332218927.db2.gz BHSDZWDZTIHPKT-DOTOQJQBSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001318300966 1332505057 /nfs/dbraw/zinc/50/50/57/1332505057.db2.gz IIWSABICPLADLH-GHOSXJJBSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001318300964 1332505698 /nfs/dbraw/zinc/50/56/98/1332505698.db2.gz IIVQGDOTCDGSKS-HKUYNNGSSA-N 2 1 333.520 2.204 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603239 1332566506 /nfs/dbraw/zinc/56/65/06/1332566506.db2.gz OGUVTBZURNEXEU-WMZOPIPTSA-N 2 1 347.890 2.128 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321877626 1333172384 /nfs/dbraw/zinc/17/23/84/1333172384.db2.gz AFXBWKFLTDRHNX-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001323048186 1333374966 /nfs/dbraw/zinc/37/49/66/1333374966.db2.gz QZFDKKLGOJQITQ-OALUTQOASA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960925 1333797130 /nfs/dbraw/zinc/79/71/30/1333797130.db2.gz LBIHNAQDKSFRMK-AZUAARDMSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324960925 1333797133 /nfs/dbraw/zinc/79/71/33/1333797133.db2.gz LBIHNAQDKSFRMK-AZUAARDMSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001324960925 1333797135 /nfs/dbraw/zinc/79/71/35/1333797135.db2.gz LBIHNAQDKSFRMK-AZUAARDMSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCOCC1 ZINC001325026111 1333814160 /nfs/dbraw/zinc/81/41/60/1333814160.db2.gz NCIHBKBXFJATER-GOSISDBHSA-N 2 1 345.487 2.120 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001326889073 1334176918 /nfs/dbraw/zinc/17/69/18/1334176918.db2.gz FYMRMGYUSNLWSA-GOSISDBHSA-N 2 1 325.472 2.404 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174125 1334240779 /nfs/dbraw/zinc/24/07/79/1334240779.db2.gz XFHSVQDTIPNFGL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327174125 1334240782 /nfs/dbraw/zinc/24/07/82/1334240782.db2.gz XFHSVQDTIPNFGL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332281988 1335790894 /nfs/dbraw/zinc/79/08/94/1335790894.db2.gz NYGIAIIQADJQFJ-LSDHHAIUSA-N 2 1 334.464 2.191 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332325599 1335802935 /nfs/dbraw/zinc/80/29/35/1335802935.db2.gz XZNMNRSVCRRSSR-WBVHZDCISA-N 2 1 339.443 2.332 10 30 EEEEMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001333433635 1336046520 /nfs/dbraw/zinc/04/65/20/1336046520.db2.gz VXYVZUWKKCTUIA-HXUWFJFHSA-N 2 1 339.483 2.451 10 30 EEEEMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001333433635 1336046522 /nfs/dbraw/zinc/04/65/22/1336046522.db2.gz VXYVZUWKKCTUIA-HXUWFJFHSA-N 2 1 339.483 2.451 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001333433635 1336046525 /nfs/dbraw/zinc/04/65/25/1336046525.db2.gz VXYVZUWKKCTUIA-HXUWFJFHSA-N 2 1 339.483 2.451 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001567183806 1342706527 /nfs/dbraw/zinc/70/65/27/1342706527.db2.gz PIBGWDKQVLROAL-FQEVSTJZSA-N 2 1 341.499 2.331 10 30 EEEEMP CCCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001567726771 1342824354 /nfs/dbraw/zinc/82/43/54/1342824354.db2.gz VTRGXXDWLKLVPY-QZTJIDSGSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001567726771 1342824359 /nfs/dbraw/zinc/82/43/59/1342824359.db2.gz VTRGXXDWLKLVPY-QZTJIDSGSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001567726771 1342824361 /nfs/dbraw/zinc/82/43/61/1342824361.db2.gz VTRGXXDWLKLVPY-QZTJIDSGSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001567726771 1342824365 /nfs/dbraw/zinc/82/43/65/1342824365.db2.gz VTRGXXDWLKLVPY-QZTJIDSGSA-N 2 1 339.524 2.068 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001656650613 1354257330 /nfs/dbraw/zinc/25/73/30/1354257330.db2.gz IEHYXSJLCHNEKT-MISYRCLQSA-N 2 1 345.531 2.491 10 30 EEEEMP N#Cc1ccc(C[N@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)s1 ZINC001660753713 1354532351 /nfs/dbraw/zinc/53/23/51/1354532351.db2.gz XQALFYVNBINAKD-UHFFFAOYSA-N 2 1 346.500 2.186 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001662533364 1354804401 /nfs/dbraw/zinc/80/44/01/1354804401.db2.gz FYHYNVIIVGXYFO-HKUYNNGSSA-N 2 1 349.519 2.177 10 30 EEEEMP C[NH+](C)CCCCC(=O)NCC[N@H+](C)CC#Cc1ccccc1Cl ZINC001663317918 1354947327 /nfs/dbraw/zinc/94/73/27/1354947327.db2.gz SFWVZQCHLXABGZ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[NH+](C)CCCCC(=O)NCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001663317918 1354947331 /nfs/dbraw/zinc/94/73/31/1354947331.db2.gz SFWVZQCHLXABGZ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665793172 1355389542 /nfs/dbraw/zinc/38/95/42/1355389542.db2.gz NOLQRHUXGOYTLP-ATZDWAIDSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001667416588 1355737307 /nfs/dbraw/zinc/73/73/07/1355737307.db2.gz AKPXSWDSAXJBPO-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001667416588 1355737310 /nfs/dbraw/zinc/73/73/10/1355737310.db2.gz AKPXSWDSAXJBPO-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001667416588 1355737317 /nfs/dbraw/zinc/73/73/17/1355737317.db2.gz AKPXSWDSAXJBPO-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@@H+](C)C1CCC1 ZINC001669317099 1356143861 /nfs/dbraw/zinc/14/38/61/1356143861.db2.gz KVPNKLIMZFJRGX-OAHLLOKOSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001674199756 1356804185 /nfs/dbraw/zinc/80/41/85/1356804185.db2.gz RXLKWZZLYQTCCF-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001674199756 1356804192 /nfs/dbraw/zinc/80/41/92/1356804192.db2.gz RXLKWZZLYQTCCF-KSSFIOAISA-N 2 1 349.425 2.047 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001674352948 1356823390 /nfs/dbraw/zinc/82/33/90/1356823390.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001674352948 1356823395 /nfs/dbraw/zinc/82/33/95/1356823395.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001674352948 1356823398 /nfs/dbraw/zinc/82/33/98/1356823398.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832276 779377922 /nfs/dbraw/zinc/37/79/22/779377922.db2.gz WPAHSJFXXJLTLF-QGZVFWFLSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(OCC#N)cc1 ZINC000925843102 779400417 /nfs/dbraw/zinc/40/04/17/779400417.db2.gz CKOIWBWFCVVDSG-KRWDZBQOSA-N 2 1 330.476 2.315 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596461 /nfs/dbraw/zinc/59/64/61/779596461.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596463 /nfs/dbraw/zinc/59/64/63/779596463.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596467 /nfs/dbraw/zinc/59/64/67/779596467.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074691 779793330 /nfs/dbraw/zinc/79/33/30/779793330.db2.gz FFLYLHJIQJPQGE-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941074691 779793335 /nfs/dbraw/zinc/79/33/35/779793335.db2.gz FFLYLHJIQJPQGE-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941074691 779793340 /nfs/dbraw/zinc/79/33/40/779793340.db2.gz FFLYLHJIQJPQGE-QZTJIDSGSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075405 779794909 /nfs/dbraw/zinc/79/49/09/779794909.db2.gz KMYWNOHNQYZARX-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137869 779946345 /nfs/dbraw/zinc/94/63/45/779946345.db2.gz FRXNAKIGUMWODB-SFHVURJKSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157558 779999163 /nfs/dbraw/zinc/99/91/63/779999163.db2.gz FDBJJEGDYRONDT-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157558 779999165 /nfs/dbraw/zinc/99/91/65/779999165.db2.gz FDBJJEGDYRONDT-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157558 779999168 /nfs/dbraw/zinc/99/91/68/779999168.db2.gz FDBJJEGDYRONDT-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157558 779999171 /nfs/dbraw/zinc/99/91/71/779999171.db2.gz FDBJJEGDYRONDT-CABCVRRESA-N 2 1 327.900 2.297 10 30 EEEEMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[NH2+]CCC2(C)C)c(OC)c1 ZINC000923413714 789521835 /nfs/dbraw/zinc/52/18/35/789521835.db2.gz HBLMUSXBPRKKNB-KRWDZBQOSA-N 2 1 348.487 2.237 10 30 EEEEMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[NH2+]CCC2(C)C)c(OC)c1 ZINC000923413714 789521840 /nfs/dbraw/zinc/52/18/40/789521840.db2.gz HBLMUSXBPRKKNB-KRWDZBQOSA-N 2 1 348.487 2.237 10 30 EEEEMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000923494421 789666048 /nfs/dbraw/zinc/66/60/48/789666048.db2.gz XKBOMNPPHCCXOY-BPQIPLTHSA-N 2 1 348.487 2.080 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321080 1089482314 /nfs/dbraw/zinc/48/23/14/1089482314.db2.gz IZGNOQUESIXUCL-RBUKOAKNSA-N 2 1 342.487 2.415 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753871 1091315215 /nfs/dbraw/zinc/31/52/15/1091315215.db2.gz NNWVOMQUHWXGBK-HOTGVXAUSA-N 2 1 327.900 2.488 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854407 1095946952 /nfs/dbraw/zinc/94/69/52/1095946952.db2.gz DROAEIRQGOOIHW-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854407 1095946962 /nfs/dbraw/zinc/94/69/62/1095946962.db2.gz DROAEIRQGOOIHW-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441878011 1095999201 /nfs/dbraw/zinc/99/92/01/1095999201.db2.gz RONWNSHMKUYVCN-QUCCMNQESA-N 2 1 340.471 2.123 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249568 1096551825 /nfs/dbraw/zinc/55/18/25/1096551825.db2.gz FMURNGABKLBDEI-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480286030 1099993300 /nfs/dbraw/zinc/99/33/00/1099993300.db2.gz NWASGINTRZKPCP-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332120 /nfs/dbraw/zinc/33/21/20/1101332120.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332131 /nfs/dbraw/zinc/33/21/31/1101332131.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332144 /nfs/dbraw/zinc/33/21/44/1101332144.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332160 /nfs/dbraw/zinc/33/21/60/1101332160.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332182 /nfs/dbraw/zinc/33/21/82/1101332182.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969248 1103226207 /nfs/dbraw/zinc/22/62/07/1103226207.db2.gz YKDYNVWSVHHLKH-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969248 1103226220 /nfs/dbraw/zinc/22/62/20/1103226220.db2.gz YKDYNVWSVHHLKH-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493969248 1103226232 /nfs/dbraw/zinc/22/62/32/1103226232.db2.gz YKDYNVWSVHHLKH-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493969248 1103226245 /nfs/dbraw/zinc/22/62/45/1103226245.db2.gz YKDYNVWSVHHLKH-VQIMIIECSA-N 2 1 337.483 2.145 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001480706536 1106924296 /nfs/dbraw/zinc/92/42/96/1106924296.db2.gz FMLSLKBVOXVXJX-SJORKVTESA-N 2 1 339.443 2.474 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001499410742 1112273466 /nfs/dbraw/zinc/27/34/66/1112273466.db2.gz XECWVGMZKBZKMO-UHFFFAOYSA-N 2 1 347.890 2.272 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507011419 1115052825 /nfs/dbraw/zinc/05/28/25/1115052825.db2.gz DDYZEGCTCHYQPB-HZPDHXFCSA-N 2 1 327.900 2.438 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081246 1115098150 /nfs/dbraw/zinc/09/81/50/1115098150.db2.gz BKLKMPAGNVCERX-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001507362445 1115222726 /nfs/dbraw/zinc/22/27/26/1115222726.db2.gz HQTLHGJYCLWGFP-KZNAEPCWSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001568278000 1124400628 /nfs/dbraw/zinc/40/06/28/1124400628.db2.gz LCSZFAMLLYYEDD-ICSRJNTNSA-N 2 1 341.499 2.072 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001568278000 1124400630 /nfs/dbraw/zinc/40/06/30/1124400630.db2.gz LCSZFAMLLYYEDD-ICSRJNTNSA-N 2 1 341.499 2.072 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568392910 1124462314 /nfs/dbraw/zinc/46/23/14/1124462314.db2.gz ZFYNLMAMZSWBPE-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147224 1125129030 /nfs/dbraw/zinc/12/90/30/1125129030.db2.gz UBVJEOXZFKTTPH-QFBILLFUSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147224 1125129034 /nfs/dbraw/zinc/12/90/34/1125129034.db2.gz UBVJEOXZFKTTPH-QFBILLFUSA-N 2 1 347.478 2.200 10 30 EEEEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1(C#N)CC1 ZINC000590294974 468230352 /nfs/dbraw/zinc/23/03/52/468230352.db2.gz YJUVNKHXYUEJIV-UHFFFAOYSA-N 2 1 346.519 2.335 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1F ZINC000600720654 468634446 /nfs/dbraw/zinc/63/44/46/468634446.db2.gz IWERPQFJDXWRIL-HNNXBMFYSA-N 2 1 328.391 2.464 10 30 EEEEMP C=CC[C@@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819809 472265940 /nfs/dbraw/zinc/26/59/40/472265940.db2.gz OWTPDRQYEDCDGI-ZVDOUQERSA-N 2 1 339.483 2.418 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871579 /nfs/dbraw/zinc/87/15/79/1191871579.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871582 /nfs/dbraw/zinc/87/15/82/1191871582.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871584 /nfs/dbraw/zinc/87/15/84/1191871584.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001485779281 1191948546 /nfs/dbraw/zinc/94/85/46/1191948546.db2.gz YXJZGFWCMOGZFA-QRQLOZEOSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001266362281 1176410562 /nfs/dbraw/zinc/41/05/62/1176410562.db2.gz BMYQOJZMUBLRJW-MRXNPFEDSA-N 2 1 345.462 2.280 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001266362281 1176410569 /nfs/dbraw/zinc/41/05/69/1176410569.db2.gz BMYQOJZMUBLRJW-MRXNPFEDSA-N 2 1 345.462 2.280 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266431149 1176526250 /nfs/dbraw/zinc/52/62/50/1176526250.db2.gz LCBFILWQPXUQMB-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663814 1177084677 /nfs/dbraw/zinc/08/46/77/1177084677.db2.gz RLSHTCFIUAKRTP-ZWKOTPCHSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663814 1177084683 /nfs/dbraw/zinc/08/46/83/1177084683.db2.gz RLSHTCFIUAKRTP-ZWKOTPCHSA-N 2 1 330.476 2.471 10 30 EEEEMP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266837428 1177515477 /nfs/dbraw/zinc/51/54/77/1177515477.db2.gz OTLXDUMWZFYOJI-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266837428 1177515485 /nfs/dbraw/zinc/51/54/85/1177515485.db2.gz OTLXDUMWZFYOJI-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266837428 1177515493 /nfs/dbraw/zinc/51/54/93/1177515493.db2.gz OTLXDUMWZFYOJI-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266837428 1177515498 /nfs/dbraw/zinc/51/54/98/1177515498.db2.gz OTLXDUMWZFYOJI-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891388 1177726114 /nfs/dbraw/zinc/72/61/14/1177726114.db2.gz OWWUOUWPVYHQOV-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001691367600 1177972693 /nfs/dbraw/zinc/97/26/93/1177972693.db2.gz RWIALKYMDJODOD-QYZOEREBSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001267042181 1178137521 /nfs/dbraw/zinc/13/75/21/1178137521.db2.gz XCSRSCBANMWHRY-MSOLQXFVSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001267132783 1178303992 /nfs/dbraw/zinc/30/39/92/1178303992.db2.gz SNRUJMQGZOMSDS-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001267132783 1178304001 /nfs/dbraw/zinc/30/40/01/1178304001.db2.gz SNRUJMQGZOMSDS-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC001267520831 1179250612 /nfs/dbraw/zinc/25/06/12/1179250612.db2.gz TXJGXEIQEOFATO-PKOBYXMFSA-N 2 1 338.455 2.387 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685037 1180157657 /nfs/dbraw/zinc/15/76/57/1180157657.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267685037 1180157659 /nfs/dbraw/zinc/15/76/59/1180157659.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267685037 1180157662 /nfs/dbraw/zinc/15/76/62/1180157662.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001267937293 1180789615 /nfs/dbraw/zinc/78/96/15/1180789615.db2.gz YGSJUMDCNRCVHG-LJQANCHMSA-N 2 1 327.472 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1=CCCCC1 ZINC001268458471 1182737439 /nfs/dbraw/zinc/73/74/39/1182737439.db2.gz CWKGQUQZPOBKGA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1=CCCCC1 ZINC001268458471 1182737446 /nfs/dbraw/zinc/73/74/46/1182737446.db2.gz CWKGQUQZPOBKGA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001482042220 1183213675 /nfs/dbraw/zinc/21/36/75/1183213675.db2.gz FVCQVKLWPDLCDX-LJQANCHMSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269805236 1184633259 /nfs/dbraw/zinc/63/32/59/1184633259.db2.gz UUPUKVBLHKXGDS-FQEVSTJZSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269805236 1184633263 /nfs/dbraw/zinc/63/32/63/1184633263.db2.gz UUPUKVBLHKXGDS-FQEVSTJZSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001482480747 1186062693 /nfs/dbraw/zinc/06/26/93/1186062693.db2.gz NBXFGDCOEMNCNB-WMZOPIPTSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001279155383 1188475099 /nfs/dbraw/zinc/47/50/99/1188475099.db2.gz AJIZXAQHJPOPNY-INIZCTEOSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001485887159 1193630261 /nfs/dbraw/zinc/63/02/61/1193630261.db2.gz SZMOQMDPADGYMI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001485887159 1193630262 /nfs/dbraw/zinc/63/02/62/1193630262.db2.gz SZMOQMDPADGYMI-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001483812297 1191057066 /nfs/dbraw/zinc/05/70/66/1191057066.db2.gz NHHSIRXSJPYWPS-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001483841957 1191093695 /nfs/dbraw/zinc/09/36/95/1191093695.db2.gz LEQGTRGZAXRYED-AZUAARDMSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001483841957 1191093698 /nfs/dbraw/zinc/09/36/98/1191093698.db2.gz LEQGTRGZAXRYED-AZUAARDMSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCCCF)C2)C1 ZINC001483841957 1191093700 /nfs/dbraw/zinc/09/37/00/1191093700.db2.gz LEQGTRGZAXRYED-AZUAARDMSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCCCF)C2)C1 ZINC001483841957 1191093704 /nfs/dbraw/zinc/09/37/04/1191093704.db2.gz LEQGTRGZAXRYED-AZUAARDMSA-N 2 1 349.494 2.148 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001484408183 1191334575 /nfs/dbraw/zinc/33/45/75/1191334575.db2.gz ZMWGBGZHIPSNPL-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001484408183 1191334576 /nfs/dbraw/zinc/33/45/76/1191334576.db2.gz ZMWGBGZHIPSNPL-HDICACEKSA-N 2 1 330.476 2.328 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001484833177 1191546294 /nfs/dbraw/zinc/54/62/94/1191546294.db2.gz YHWJEVLYOVLBHL-LJQANCHMSA-N 2 1 331.504 2.363 10 30 EEEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001484923436 1191576438 /nfs/dbraw/zinc/57/64/38/1191576438.db2.gz PMWPYVQUNPYNHS-UHFFFAOYSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484987615 1191603782 /nfs/dbraw/zinc/60/37/82/1191603782.db2.gz DEAPVXXWSJWLOI-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001485376038 1191764382 /nfs/dbraw/zinc/76/43/82/1191764382.db2.gz PFYRUPUNYMNDSI-VQIMIIECSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001485376038 1191764384 /nfs/dbraw/zinc/76/43/84/1191764384.db2.gz PFYRUPUNYMNDSI-VQIMIIECSA-N 2 1 347.478 2.200 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001486233926 1193786015 /nfs/dbraw/zinc/78/60/15/1193786015.db2.gz FJJUKSMHASZVKG-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001486233926 1193786018 /nfs/dbraw/zinc/78/60/18/1193786018.db2.gz FJJUKSMHASZVKG-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1O ZINC000903955316 1242701111 /nfs/dbraw/zinc/70/11/11/1242701111.db2.gz OZOCKQLDVRRFRF-AWEZNQCLSA-N 2 1 326.387 2.464 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267887347 1276752303 /nfs/dbraw/zinc/75/23/03/1276752303.db2.gz HNZVHIKCNPFQOJ-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440499 1291310474 /nfs/dbraw/zinc/31/04/74/1291310474.db2.gz LILCHQKEAACYKR-PKOBYXMFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490440499 1291310483 /nfs/dbraw/zinc/31/04/83/1291310483.db2.gz LILCHQKEAACYKR-PKOBYXMFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001490440499 1291310494 /nfs/dbraw/zinc/31/04/94/1291310494.db2.gz LILCHQKEAACYKR-PKOBYXMFSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001490610998 1291522437 /nfs/dbraw/zinc/52/24/37/1291522437.db2.gz QBRWSANNWRBTGE-IBGZPJMESA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001490610998 1291522445 /nfs/dbraw/zinc/52/24/45/1291522445.db2.gz QBRWSANNWRBTGE-IBGZPJMESA-N 2 1 339.483 2.112 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679940 1291561469 /nfs/dbraw/zinc/56/14/69/1291561469.db2.gz QCCIIHNRLFHGLN-IRXDYDNUSA-N 2 1 346.500 2.088 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC001211222678 1295762650 /nfs/dbraw/zinc/76/26/50/1295762650.db2.gz MORNREHCCPXQOW-KRWDZBQOSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001276791945 1297753226 /nfs/dbraw/zinc/75/32/26/1297753226.db2.gz YVAIQUNLASNWEM-FUHWJXTLSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294270 1302231137 /nfs/dbraw/zinc/23/11/37/1302231137.db2.gz JNZXNRIZIUNGSY-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001278726608 1317883362 /nfs/dbraw/zinc/88/33/62/1317883362.db2.gz YUWBKZKNMOTPMX-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001264436483 1322702047 /nfs/dbraw/zinc/70/20/47/1322702047.db2.gz BYNAHVYJIYWZDD-WDSOQIARSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265397264 1323128017 /nfs/dbraw/zinc/12/80/17/1323128017.db2.gz VKEZOBLEWWCFNE-GOSISDBHSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596575 1323253544 /nfs/dbraw/zinc/25/35/44/1323253544.db2.gz GDOLEQLEWAXXNO-RTBURBONSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCCC)C1 ZINC001265613372 1323267597 /nfs/dbraw/zinc/26/75/97/1323267597.db2.gz NSIJKMWNEVIDBE-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCCC)C1 ZINC001265613372 1323267604 /nfs/dbraw/zinc/26/76/04/1323267604.db2.gz NSIJKMWNEVIDBE-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265622045 1323274810 /nfs/dbraw/zinc/27/48/10/1323274810.db2.gz VRFGBDLRTYELLA-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266229606 1323805641 /nfs/dbraw/zinc/80/56/41/1323805641.db2.gz JWNLFOBAWGVPBZ-INIZCTEOSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598318 1323953235 /nfs/dbraw/zinc/95/32/35/1323953235.db2.gz VTNDVYHZUVZCCK-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610794 1324776770 /nfs/dbraw/zinc/77/67/70/1324776770.db2.gz DVYNHGHYPOTCCP-UXHICEINSA-N 2 1 339.483 2.007 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001281967523 1325541676 /nfs/dbraw/zinc/54/16/76/1325541676.db2.gz HUNDBVNCUGAQRX-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001282957980 1325853370 /nfs/dbraw/zinc/85/33/70/1325853370.db2.gz JWJQEPJGYQMVHS-GBESFXJTSA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001284148079 1326435174 /nfs/dbraw/zinc/43/51/74/1326435174.db2.gz DWQCCFVCOKAYSY-RBUKOAKNSA-N 2 1 329.488 2.364 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001492027521 1330452706 /nfs/dbraw/zinc/45/27/06/1330452706.db2.gz WYQXRGCUWJBFPP-HZSPNIEDSA-N 2 1 346.313 2.110 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128392 1330981693 /nfs/dbraw/zinc/98/16/93/1330981693.db2.gz RXTVCOGDNWVYJA-NVXWUHKLSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001316700031 1331808092 /nfs/dbraw/zinc/80/80/92/1331808092.db2.gz WDVIJDXIGSNXRN-VKJFTORMSA-N 2 1 345.491 2.193 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001316700031 1331808098 /nfs/dbraw/zinc/80/80/98/1331808098.db2.gz WDVIJDXIGSNXRN-VKJFTORMSA-N 2 1 345.491 2.193 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317087639 1332074399 /nfs/dbraw/zinc/07/43/99/1332074399.db2.gz OBPUHHXOZCFNFQ-MWQQHZPXSA-N 2 1 330.476 2.345 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317090245 1332074872 /nfs/dbraw/zinc/07/48/72/1332074872.db2.gz QKKXNXARVFYBPR-IYARVYRRSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@@H+](C)CC)C1 ZINC001317865805 1332436240 /nfs/dbraw/zinc/43/62/40/1332436240.db2.gz YQRQUNCWJMMYJQ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001317865805 1332436245 /nfs/dbraw/zinc/43/62/45/1332436245.db2.gz YQRQUNCWJMMYJQ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001317865805 1332436246 /nfs/dbraw/zinc/43/62/46/1332436246.db2.gz YQRQUNCWJMMYJQ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001317865805 1332436247 /nfs/dbraw/zinc/43/62/47/1332436247.db2.gz YQRQUNCWJMMYJQ-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001318886942 1332618334 /nfs/dbraw/zinc/61/83/34/1332618334.db2.gz TVNVXHDDISNZKQ-SFHVURJKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001318886942 1332618336 /nfs/dbraw/zinc/61/83/36/1332618336.db2.gz TVNVXHDDISNZKQ-SFHVURJKSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001318999905 1332635133 /nfs/dbraw/zinc/63/51/33/1332635133.db2.gz GMVOJYOFDKXCFU-PMACEKPBSA-N 2 1 339.483 2.433 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001325056383 1333820633 /nfs/dbraw/zinc/82/06/33/1333820633.db2.gz ZANYNGZVMAWAND-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325056383 1333820636 /nfs/dbraw/zinc/82/06/36/1333820636.db2.gz ZANYNGZVMAWAND-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325056383 1333820639 /nfs/dbraw/zinc/82/06/39/1333820639.db2.gz ZANYNGZVMAWAND-HOTGVXAUSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001325895522 1333986720 /nfs/dbraw/zinc/98/67/20/1333986720.db2.gz APSLOFJDRLGUGJ-QRVBRYPASA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325895522 1333986724 /nfs/dbraw/zinc/98/67/24/1333986724.db2.gz APSLOFJDRLGUGJ-QRVBRYPASA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCF ZINC001325895522 1333986726 /nfs/dbraw/zinc/98/67/26/1333986726.db2.gz APSLOFJDRLGUGJ-QRVBRYPASA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCF ZINC001325895522 1333986729 /nfs/dbraw/zinc/98/67/29/1333986729.db2.gz APSLOFJDRLGUGJ-QRVBRYPASA-N 2 1 349.494 2.289 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001325897966 1333987905 /nfs/dbraw/zinc/98/79/05/1333987905.db2.gz HKCIBVBAYHDHBE-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108518 1335730958 /nfs/dbraw/zinc/73/09/58/1335730958.db2.gz BSEROYZBCRAMNE-CTNGQTDRSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108518 1335730963 /nfs/dbraw/zinc/73/09/63/1335730963.db2.gz BSEROYZBCRAMNE-CTNGQTDRSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108518 1335730966 /nfs/dbraw/zinc/73/09/66/1335730966.db2.gz BSEROYZBCRAMNE-CTNGQTDRSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001332108518 1335730970 /nfs/dbraw/zinc/73/09/70/1335730970.db2.gz BSEROYZBCRAMNE-CTNGQTDRSA-N 2 1 341.499 2.460 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001673988608 1356768012 /nfs/dbraw/zinc/76/80/12/1356768012.db2.gz HLWIOLXKYGDYLD-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676017868 1357089379 /nfs/dbraw/zinc/08/93/79/1357089379.db2.gz CXXBFCFAZVQAQH-HOCLYGCPSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001571502099 1343220421 /nfs/dbraw/zinc/22/04/21/1343220421.db2.gz ZZIZTDVGQOYHHR-NLWGTHIKSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001571502099 1343220423 /nfs/dbraw/zinc/22/04/23/1343220423.db2.gz ZZIZTDVGQOYHHR-NLWGTHIKSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001571502099 1343220425 /nfs/dbraw/zinc/22/04/25/1343220425.db2.gz ZZIZTDVGQOYHHR-NLWGTHIKSA-N 2 1 349.519 2.175 10 30 EEEEMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365137 1357141028 /nfs/dbraw/zinc/14/10/28/1357141028.db2.gz SQOVWZJIFGZXKF-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1CC ZINC001657063425 1354314131 /nfs/dbraw/zinc/31/41/31/1354314131.db2.gz OAVRYUYXFXHCAO-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001657063425 1354314139 /nfs/dbraw/zinc/31/41/39/1354314139.db2.gz OAVRYUYXFXHCAO-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+](C)CCCNCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001657452415 1354339608 /nfs/dbraw/zinc/33/96/08/1354339608.db2.gz LRUANQWFOGXABP-UHFFFAOYSA-N 2 1 339.439 2.416 10 30 EEEEMP C#CC[N@@H+](C)CCCNCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001657452415 1354339611 /nfs/dbraw/zinc/33/96/11/1354339611.db2.gz LRUANQWFOGXABP-UHFFFAOYSA-N 2 1 339.439 2.416 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001657452415 1354339613 /nfs/dbraw/zinc/33/96/13/1354339613.db2.gz LRUANQWFOGXABP-UHFFFAOYSA-N 2 1 339.439 2.416 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001657452415 1354339618 /nfs/dbraw/zinc/33/96/18/1354339618.db2.gz LRUANQWFOGXABP-UHFFFAOYSA-N 2 1 339.439 2.416 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661512056 1354647687 /nfs/dbraw/zinc/64/76/87/1354647687.db2.gz XAGFYHKANBQAFV-QAQDUYKDSA-N 2 1 347.890 2.269 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661554846 1354657409 /nfs/dbraw/zinc/65/74/09/1354657409.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554846 1354657413 /nfs/dbraw/zinc/65/74/13/1354657413.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661554846 1354657418 /nfs/dbraw/zinc/65/74/18/1354657418.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726229 1355578406 /nfs/dbraw/zinc/57/84/06/1355578406.db2.gz ZUBVSBGLOXZUSC-SJORKVTESA-N 2 1 348.491 2.178 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726229 1355578409 /nfs/dbraw/zinc/57/84/09/1355578409.db2.gz ZUBVSBGLOXZUSC-SJORKVTESA-N 2 1 348.491 2.178 10 30 EEEEMP C=CCCC[N@@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001667570430 1355761831 /nfs/dbraw/zinc/76/18/31/1355761831.db2.gz JORYXPFNGWBCPY-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[N@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001667570430 1355761838 /nfs/dbraw/zinc/76/18/38/1355761838.db2.gz JORYXPFNGWBCPY-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001667570430 1355761844 /nfs/dbraw/zinc/76/18/44/1355761844.db2.gz JORYXPFNGWBCPY-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCCC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001667570430 1355761847 /nfs/dbraw/zinc/76/18/47/1355761847.db2.gz JORYXPFNGWBCPY-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(C)c1 ZINC001668867797 1356028715 /nfs/dbraw/zinc/02/87/15/1356028715.db2.gz CBZQJAUDKRKBDC-XZZFYQAUSA-N 2 1 339.483 2.416 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(C)c1 ZINC001668867797 1356028720 /nfs/dbraw/zinc/02/87/20/1356028720.db2.gz CBZQJAUDKRKBDC-XZZFYQAUSA-N 2 1 339.483 2.416 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001675554076 1357005111 /nfs/dbraw/zinc/00/51/11/1357005111.db2.gz VUFUULJKKZALOJ-NNZMDNLPSA-N 2 1 331.504 2.123 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001690846813 1404940815 /nfs/dbraw/zinc/94/08/15/1404940815.db2.gz RXLKWZZLYQTCCF-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001690846813 1404940821 /nfs/dbraw/zinc/94/08/21/1404940821.db2.gz RXLKWZZLYQTCCF-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001699785285 1405482981 /nfs/dbraw/zinc/48/29/81/1405482981.db2.gz KEDHGMZAUABCBS-INIZCTEOSA-N 2 1 325.472 2.003 10 30 EEEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699878681 1405546746 /nfs/dbraw/zinc/54/67/46/1405546746.db2.gz ZLCQSNLFENTQOJ-LJQANCHMSA-N 2 1 330.476 2.213 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699878681 1405546751 /nfs/dbraw/zinc/54/67/51/1405546751.db2.gz ZLCQSNLFENTQOJ-LJQANCHMSA-N 2 1 330.476 2.213 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001699884035 1405550198 /nfs/dbraw/zinc/55/01/98/1405550198.db2.gz AJIMGILZPDDYNT-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001699976094 1405616704 /nfs/dbraw/zinc/61/67/04/1405616704.db2.gz NOHRIXOSTNHLCX-FJIDUMEYSA-N 2 1 342.487 2.389 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001699976094 1405616706 /nfs/dbraw/zinc/61/67/06/1405616706.db2.gz NOHRIXOSTNHLCX-FJIDUMEYSA-N 2 1 342.487 2.389 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595753 /nfs/dbraw/zinc/59/57/53/779595753.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595763 /nfs/dbraw/zinc/59/57/63/779595763.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595770 /nfs/dbraw/zinc/59/57/70/779595770.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075221 779795058 /nfs/dbraw/zinc/79/50/58/779795058.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075221 779795063 /nfs/dbraw/zinc/79/50/63/779795063.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075221 779795071 /nfs/dbraw/zinc/79/50/71/779795071.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 2 1 333.520 2.489 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001437369451 1089606472 /nfs/dbraw/zinc/60/64/72/1089606472.db2.gz BLGZKRYJYVBTCZ-AYOQOUSVSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445768017 1091624195 /nfs/dbraw/zinc/62/41/95/1091624195.db2.gz MYCOZYBTFSEWKI-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445768017 1091624199 /nfs/dbraw/zinc/62/41/99/1091624199.db2.gz MYCOZYBTFSEWKI-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445768017 1091624204 /nfs/dbraw/zinc/62/42/04/1091624204.db2.gz MYCOZYBTFSEWKI-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445768017 1091624208 /nfs/dbraw/zinc/62/42/08/1091624208.db2.gz MYCOZYBTFSEWKI-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001480230633 1099855442 /nfs/dbraw/zinc/85/54/42/1099855442.db2.gz UDCKBZTWUSLTEY-IYBDPMFKSA-N 2 1 325.416 2.084 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458394 1100262781 /nfs/dbraw/zinc/26/27/81/1100262781.db2.gz DDRUYBCSUBSFFN-RDTXWAMCSA-N 2 1 346.450 2.164 10 30 EEEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496193058 1102197627 /nfs/dbraw/zinc/19/76/27/1102197627.db2.gz QFSUCPCNNJEDLA-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995828 /nfs/dbraw/zinc/99/58/28/1102995828.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995842 /nfs/dbraw/zinc/99/58/42/1102995842.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995854 /nfs/dbraw/zinc/99/58/54/1102995854.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 2 1 342.487 2.368 10 30 EEEEMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[NH+]1CCCC1 ZINC001493059215 1107417785 /nfs/dbraw/zinc/41/77/85/1107417785.db2.gz ZADPLZDUKXYLIX-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)C[NH+]1CCCC1 ZINC001493059215 1107417792 /nfs/dbraw/zinc/41/77/92/1107417792.db2.gz ZADPLZDUKXYLIX-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001498455024 1107560807 /nfs/dbraw/zinc/56/08/07/1107560807.db2.gz HRPFGEFTQQOXLZ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001498455024 1107560817 /nfs/dbraw/zinc/56/08/17/1107560817.db2.gz HRPFGEFTQQOXLZ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001498455024 1107560822 /nfs/dbraw/zinc/56/08/22/1107560822.db2.gz HRPFGEFTQQOXLZ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001498455024 1107560839 /nfs/dbraw/zinc/56/08/39/1107560839.db2.gz HRPFGEFTQQOXLZ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001493415199 1108112856 /nfs/dbraw/zinc/11/28/56/1108112856.db2.gz WUHKSYVJZJMJNX-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(C)C[NH+](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001493415199 1108112857 /nfs/dbraw/zinc/11/28/57/1108112857.db2.gz WUHKSYVJZJMJNX-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(C)C[NH+](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001493415199 1108112860 /nfs/dbraw/zinc/11/28/60/1108112860.db2.gz WUHKSYVJZJMJNX-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC(C)(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC001459942166 1110251409 /nfs/dbraw/zinc/25/14/09/1110251409.db2.gz XRYJKHDOOWAHOO-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC001459942166 1110251411 /nfs/dbraw/zinc/25/14/11/1110251411.db2.gz XRYJKHDOOWAHOO-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC(C)(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001459942166 1110251413 /nfs/dbraw/zinc/25/14/13/1110251413.db2.gz XRYJKHDOOWAHOO-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC(C)(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459942166 1110251415 /nfs/dbraw/zinc/25/14/15/1110251415.db2.gz XRYJKHDOOWAHOO-UHFFFAOYSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500160734 1112647828 /nfs/dbraw/zinc/64/78/28/1112647828.db2.gz CEHQWUREQCBSEM-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001502015138 1113559771 /nfs/dbraw/zinc/55/97/71/1113559771.db2.gz ZRJZVLNATMZDRR-UHFFFAOYSA-N 2 1 345.462 2.148 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001502471009 1113696914 /nfs/dbraw/zinc/69/69/14/1113696914.db2.gz VTDZMJDNFUTEDG-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001502471009 1113696917 /nfs/dbraw/zinc/69/69/17/1113696917.db2.gz VTDZMJDNFUTEDG-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503001734 1113870031 /nfs/dbraw/zinc/87/00/31/1113870031.db2.gz IZWHDYQUGXYKRG-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001505829547 1114219375 /nfs/dbraw/zinc/21/93/75/1114219375.db2.gz MMRCCFFABDZOIR-MRXNPFEDSA-N 2 1 332.492 2.404 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918360 1114275822 /nfs/dbraw/zinc/27/58/22/1114275822.db2.gz KIQSBVMILLIRSB-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001505918360 1114275825 /nfs/dbraw/zinc/27/58/25/1114275825.db2.gz KIQSBVMILLIRSB-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001505918360 1114275830 /nfs/dbraw/zinc/27/58/30/1114275830.db2.gz KIQSBVMILLIRSB-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001505918360 1114275831 /nfs/dbraw/zinc/27/58/31/1114275831.db2.gz KIQSBVMILLIRSB-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001506892664 1114954889 /nfs/dbraw/zinc/95/48/89/1114954889.db2.gz XNKCRHHETDQSJV-ZHALLVOQSA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001568118516 1124312386 /nfs/dbraw/zinc/31/23/86/1124312386.db2.gz WCGUZNAXMDQTLF-LJQANCHMSA-N 2 1 327.472 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001568642240 1124654815 /nfs/dbraw/zinc/65/48/15/1124654815.db2.gz JWGDJGXRFSGDQS-PJKWBFRZSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001568642240 1124654818 /nfs/dbraw/zinc/65/48/18/1124654818.db2.gz JWGDJGXRFSGDQS-PJKWBFRZSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001568866165 1124890665 /nfs/dbraw/zinc/89/06/65/1124890665.db2.gz QQCHBQXQDONRHJ-WHLIDYPQSA-N 2 1 345.874 2.200 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001568866165 1124890670 /nfs/dbraw/zinc/89/06/70/1124890670.db2.gz QQCHBQXQDONRHJ-WHLIDYPQSA-N 2 1 345.874 2.200 10 30 EEEEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000564090185 319066886 /nfs/dbraw/zinc/06/68/86/319066886.db2.gz MIQGXCIUXFDPAX-QGZVFWFLSA-N 2 1 346.431 2.399 10 30 EEEEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000564090185 319066887 /nfs/dbraw/zinc/06/68/87/319066887.db2.gz MIQGXCIUXFDPAX-QGZVFWFLSA-N 2 1 346.431 2.399 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901361 463945293 /nfs/dbraw/zinc/94/52/93/463945293.db2.gz SWIVOBUZYNCXGX-MSOLQXFVSA-N 2 1 334.508 2.175 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000176158737 464710112 /nfs/dbraw/zinc/71/01/12/464710112.db2.gz RUAHFHBKOVVWBY-KRWDZBQOSA-N 2 1 331.464 2.016 10 30 EEEEMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594435418 468585918 /nfs/dbraw/zinc/58/59/18/468585918.db2.gz DVQVIVVECNYHKK-ROUUACIJSA-N 2 1 328.460 2.131 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261957298 682636281 /nfs/dbraw/zinc/63/62/81/682636281.db2.gz JEDLSNWHZUIXMG-SIRPWMCASA-N 2 1 336.524 2.084 10 30 EEEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485658971 1191879418 /nfs/dbraw/zinc/87/94/18/1191879418.db2.gz WOCYIQQTMWLLIL-KSZLIROESA-N 2 1 330.476 2.374 10 30 EEEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001485658971 1191879419 /nfs/dbraw/zinc/87/94/19/1191879419.db2.gz WOCYIQQTMWLLIL-KSZLIROESA-N 2 1 330.476 2.374 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001266460420 1176576791 /nfs/dbraw/zinc/57/67/91/1176576791.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCC(C)C)C1 ZINC001266460420 1176576798 /nfs/dbraw/zinc/57/67/98/1176576798.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001266460420 1176576809 /nfs/dbraw/zinc/57/68/09/1176576809.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCC(C)C)C1 ZINC001266460420 1176576823 /nfs/dbraw/zinc/57/68/23/1176576823.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCC(C)C)C1 ZINC001266460420 1176576833 /nfs/dbraw/zinc/57/68/33/1176576833.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268184370 1181973306 /nfs/dbraw/zinc/97/33/06/1181973306.db2.gz ANLNVAWSKOVGKY-PBHICJAKSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001481851436 1182802252 /nfs/dbraw/zinc/80/22/52/1182802252.db2.gz FYNCUSTZWZTXNM-OTWHNJEPSA-N 2 1 329.488 2.392 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001482101993 1183335276 /nfs/dbraw/zinc/33/52/76/1183335276.db2.gz ICXDJLAGHNBBNN-YSIASYRMSA-N 2 1 341.499 2.110 10 30 EEEEMP CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268811508 1183730690 /nfs/dbraw/zinc/73/06/90/1183730690.db2.gz NXRUSAHNMWEDGV-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001269621521 1184446099 /nfs/dbraw/zinc/44/60/99/1184446099.db2.gz FCDYLDQMQIJZGD-UHFFFAOYSA-N 2 1 343.515 2.199 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001269921087 1184719089 /nfs/dbraw/zinc/71/90/89/1184719089.db2.gz YBUCCFHPQCCCKE-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001269921089 1184719475 /nfs/dbraw/zinc/71/94/75/1184719475.db2.gz YBUCCFHPQCCCKE-RTBURBONSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386410 1185580427 /nfs/dbraw/zinc/58/04/27/1185580427.db2.gz HCEWCUILYFUFSL-PMACEKPBSA-N 2 1 341.499 2.405 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386410 1185580432 /nfs/dbraw/zinc/58/04/32/1185580432.db2.gz HCEWCUILYFUFSL-PMACEKPBSA-N 2 1 341.499 2.405 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001482422764 1185667790 /nfs/dbraw/zinc/66/77/90/1185667790.db2.gz GXYKKBJESNQYDR-ZBFHGGJFSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270965689 1185777004 /nfs/dbraw/zinc/77/70/04/1185777004.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270965689 1185777008 /nfs/dbraw/zinc/77/70/08/1185777008.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 1 337.895 2.055 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455270 1185869153 /nfs/dbraw/zinc/86/91/53/1185869153.db2.gz HBNBGCLVKWICMA-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001271112112 1185892469 /nfs/dbraw/zinc/89/24/69/1185892469.db2.gz HBKBVJDAOBRMKH-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001272053550 1187287290 /nfs/dbraw/zinc/28/72/90/1187287290.db2.gz NOYLSOOBCUIZKV-IPMKNSEASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001272053550 1187287293 /nfs/dbraw/zinc/28/72/93/1187287293.db2.gz NOYLSOOBCUIZKV-IPMKNSEASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001272053550 1187287295 /nfs/dbraw/zinc/28/72/95/1187287295.db2.gz NOYLSOOBCUIZKV-IPMKNSEASA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091006 1187583346 /nfs/dbraw/zinc/58/33/46/1187583346.db2.gz MJILDSHQIVJOHT-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409660211 1190157986 /nfs/dbraw/zinc/15/79/86/1190157986.db2.gz PGYIHDXBIGDUHT-HUUCEWRRSA-N 2 1 339.443 2.097 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989070 1191144216 /nfs/dbraw/zinc/14/42/16/1191144216.db2.gz VVWMORXUUNKUPF-JLAWEPINSA-N 2 1 345.531 2.301 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483989010 1191144233 /nfs/dbraw/zinc/14/42/33/1191144233.db2.gz UBCKXLQVRWJMCI-QZTJIDSGSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484009328 1191153366 /nfs/dbraw/zinc/15/33/66/1191153366.db2.gz NDBHTHYJXUJXNC-MJGOQNOKSA-N 2 1 342.487 2.042 10 30 EEEEMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001484764742 1191504218 /nfs/dbraw/zinc/50/42/18/1191504218.db2.gz VBHZNNPYPJZQHG-FQEVSTJZSA-N 2 1 343.515 2.405 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771264 1191514219 /nfs/dbraw/zinc/51/42/19/1191514219.db2.gz QTIXMCIACGYWDE-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001486182853 1193701578 /nfs/dbraw/zinc/70/15/78/1193701578.db2.gz AEQOXBULHZTBLG-WMZOPIPTSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183661 1193723301 /nfs/dbraw/zinc/72/33/01/1193723301.db2.gz KPEFDUUNUAOJDK-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183661 1193723305 /nfs/dbraw/zinc/72/33/05/1193723305.db2.gz KPEFDUUNUAOJDK-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183661 1193723308 /nfs/dbraw/zinc/72/33/08/1193723308.db2.gz KPEFDUUNUAOJDK-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001486183661 1193723313 /nfs/dbraw/zinc/72/33/13/1193723313.db2.gz KPEFDUUNUAOJDK-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001273004108 1194311093 /nfs/dbraw/zinc/31/10/93/1194311093.db2.gz HSKCCMYRCXEXDZ-GOSISDBHSA-N 2 1 339.443 2.428 10 30 EEEEMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867958087 1201715464 /nfs/dbraw/zinc/71/54/64/1201715464.db2.gz HSWKQQIFWYJKDL-HXUWFJFHSA-N 2 1 348.450 2.488 10 30 EEEEMP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCO1 ZINC000883189126 1202028316 /nfs/dbraw/zinc/02/83/16/1202028316.db2.gz YRJKAYCUSYCUNU-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274856450 1205189086 /nfs/dbraw/zinc/18/90/86/1205189086.db2.gz KXFXRBHVUDPAPS-PMACEKPBSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274856450 1205189088 /nfs/dbraw/zinc/18/90/88/1205189088.db2.gz KXFXRBHVUDPAPS-PMACEKPBSA-N 2 1 341.499 2.312 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275707176 1205492771 /nfs/dbraw/zinc/49/27/71/1205492771.db2.gz QRHPQIOHDDZUEC-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275707176 1205492772 /nfs/dbraw/zinc/49/27/72/1205492772.db2.gz QRHPQIOHDDZUEC-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275707176 1205492773 /nfs/dbraw/zinc/49/27/73/1205492773.db2.gz QRHPQIOHDDZUEC-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275707176 1205492774 /nfs/dbraw/zinc/49/27/74/1205492774.db2.gz QRHPQIOHDDZUEC-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001490843557 1208468775 /nfs/dbraw/zinc/46/87/75/1208468775.db2.gz AULGTSWLAAUFHM-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852872821 1292223018 /nfs/dbraw/zinc/22/30/18/1292223018.db2.gz RTLHEWWTGLGHSN-HNNXBMFYSA-N 2 1 336.439 2.361 10 30 EEEEMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579618 /nfs/dbraw/zinc/57/96/18/1293579618.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579620 /nfs/dbraw/zinc/57/96/20/1293579620.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 2 1 346.475 2.304 10 30 EEEEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579625 /nfs/dbraw/zinc/57/96/25/1293579625.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 2 1 346.475 2.304 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001264191848 1322659560 /nfs/dbraw/zinc/65/95/60/1322659560.db2.gz ZURUPCWOVGOWAH-KBPBESRZSA-N 2 1 348.516 2.176 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001264685597 1322784628 /nfs/dbraw/zinc/78/46/28/1322784628.db2.gz MDUHQJKUFDYOST-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001264685597 1322784629 /nfs/dbraw/zinc/78/46/29/1322784629.db2.gz MDUHQJKUFDYOST-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265000757 1322847131 /nfs/dbraw/zinc/84/71/31/1322847131.db2.gz CMGYEGCQHHFKBI-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001280775260 1324501476 /nfs/dbraw/zinc/50/14/76/1324501476.db2.gz BUQVHXVFRLEKKD-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001280775260 1324501479 /nfs/dbraw/zinc/50/14/79/1324501479.db2.gz BUQVHXVFRLEKKD-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001280775260 1324501482 /nfs/dbraw/zinc/50/14/82/1324501482.db2.gz BUQVHXVFRLEKKD-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001280775260 1324501486 /nfs/dbraw/zinc/50/14/86/1324501486.db2.gz BUQVHXVFRLEKKD-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1 ZINC001284349297 1326514240 /nfs/dbraw/zinc/51/42/40/1326514240.db2.gz XMRBTZDMNQDSRN-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001284986061 1326812546 /nfs/dbraw/zinc/81/25/46/1326812546.db2.gz LZPYMDHTASSSBT-UHFFFAOYSA-N 2 1 349.438 2.012 10 30 EEEEMP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001284986061 1326812551 /nfs/dbraw/zinc/81/25/51/1326812551.db2.gz LZPYMDHTASSSBT-UHFFFAOYSA-N 2 1 349.438 2.012 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966019 1330361648 /nfs/dbraw/zinc/36/16/48/1330361648.db2.gz WZZJEMWBUCWOOI-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001492086551 1330993711 /nfs/dbraw/zinc/99/37/11/1330993711.db2.gz UXJIYVRDCAFINO-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001316897188 1331814317 /nfs/dbraw/zinc/81/43/17/1331814317.db2.gz ZIRVZXHVQLMTJJ-UHFFFAOYSA-N 2 1 327.900 2.443 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316725374 1331863867 /nfs/dbraw/zinc/86/38/67/1331863867.db2.gz BGOKMNBDABJYKH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316725374 1331863869 /nfs/dbraw/zinc/86/38/69/1331863869.db2.gz BGOKMNBDABJYKH-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001316797011 1331898228 /nfs/dbraw/zinc/89/82/28/1331898228.db2.gz YTCJGVRPWAHMTO-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001316797011 1331898231 /nfs/dbraw/zinc/89/82/31/1331898231.db2.gz YTCJGVRPWAHMTO-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316797011 1331898236 /nfs/dbraw/zinc/89/82/36/1331898236.db2.gz YTCJGVRPWAHMTO-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316797011 1331898241 /nfs/dbraw/zinc/89/82/41/1331898241.db2.gz YTCJGVRPWAHMTO-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001316908261 1331974274 /nfs/dbraw/zinc/97/42/74/1331974274.db2.gz XZXGTZGGWHZLJK-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001316908261 1331974277 /nfs/dbraw/zinc/97/42/77/1331974277.db2.gz XZXGTZGGWHZLJK-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001316908261 1331974279 /nfs/dbraw/zinc/97/42/79/1331974279.db2.gz XZXGTZGGWHZLJK-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317103945 1332081045 /nfs/dbraw/zinc/08/10/45/1332081045.db2.gz BTVCYGKMPAXXHM-FGTMMUONSA-N 2 1 345.874 2.023 10 30 EEEEMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317219721 1332141703 /nfs/dbraw/zinc/14/17/03/1332141703.db2.gz RZCXQLMHLBSHFB-DAWZGUTISA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219721 1332141706 /nfs/dbraw/zinc/14/17/06/1332141706.db2.gz RZCXQLMHLBSHFB-DAWZGUTISA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001318149626 1332479393 /nfs/dbraw/zinc/47/93/93/1332479393.db2.gz SGCINLUATCDGKE-LJQANCHMSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC001319473692 1332707956 /nfs/dbraw/zinc/70/79/56/1332707956.db2.gz URGUFFAWOOVFIQ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC001319473692 1332707957 /nfs/dbraw/zinc/70/79/57/1332707957.db2.gz URGUFFAWOOVFIQ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001325053018 1333819187 /nfs/dbraw/zinc/81/91/87/1333819187.db2.gz FTOULZQDXWUFLR-GJZGRUSLSA-N 2 1 331.451 2.222 10 30 EEEEMP C=C1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001336977707 1336625391 /nfs/dbraw/zinc/62/53/91/1336625391.db2.gz LLJVBKNJUDRDFM-KDURUIRLSA-N 2 1 346.519 2.343 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001569706166 1342927695 /nfs/dbraw/zinc/92/76/95/1342927695.db2.gz BMCFGEVYQLYMPW-ZWKOTPCHSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001656160736 1354209597 /nfs/dbraw/zinc/20/95/97/1354209597.db2.gz QPBRSLQLQLFOSY-MDNKFWRPSA-N 2 1 341.499 2.392 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc2ccccc21 ZINC001663201235 1354934060 /nfs/dbraw/zinc/93/40/60/1354934060.db2.gz MPRNTBYFDJGFNX-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc2ccccc21 ZINC001663201235 1354934061 /nfs/dbraw/zinc/93/40/61/1354934061.db2.gz MPRNTBYFDJGFNX-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc2ccccc21 ZINC001663201235 1354934064 /nfs/dbraw/zinc/93/40/64/1354934064.db2.gz MPRNTBYFDJGFNX-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc2ccccc21 ZINC001663201235 1354934065 /nfs/dbraw/zinc/93/40/65/1354934065.db2.gz MPRNTBYFDJGFNX-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CCC(F)(F)F)CC1 ZINC001663696331 1355019040 /nfs/dbraw/zinc/01/90/40/1355019040.db2.gz QAYWAEFHLUAFAS-UHFFFAOYSA-N 2 1 347.425 2.112 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668174217 1355891804 /nfs/dbraw/zinc/89/18/04/1355891804.db2.gz WXWODSXAFDEACN-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001669584671 1356179885 /nfs/dbraw/zinc/17/98/85/1356179885.db2.gz UPWBFMVUGXUFHF-DBVUQKKJSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001669584671 1356179890 /nfs/dbraw/zinc/17/98/90/1356179890.db2.gz UPWBFMVUGXUFHF-DBVUQKKJSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C ZINC001669827660 1356220359 /nfs/dbraw/zinc/22/03/59/1356220359.db2.gz ZLYPOZUAUWOPFO-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C ZINC001669827660 1356220364 /nfs/dbraw/zinc/22/03/64/1356220364.db2.gz ZLYPOZUAUWOPFO-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(F)cc1C ZINC001669827660 1356220370 /nfs/dbraw/zinc/22/03/70/1356220370.db2.gz ZLYPOZUAUWOPFO-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(F)cc1C ZINC001669827660 1356220376 /nfs/dbraw/zinc/22/03/76/1356220376.db2.gz ZLYPOZUAUWOPFO-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326216 1356501671 /nfs/dbraw/zinc/50/16/71/1356501671.db2.gz BAMNWZLWCVDGLZ-ICSRJNTNSA-N 2 1 341.499 2.064 10 30 EEEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001672348136 1356506541 /nfs/dbraw/zinc/50/65/41/1356506541.db2.gz JEBYADVVHGHZCE-YVSFHVDLSA-N 2 1 325.472 2.212 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001672806598 1356589225 /nfs/dbraw/zinc/58/92/25/1356589225.db2.gz YRNBBDPCSPRMRY-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001673617797 1356718654 /nfs/dbraw/zinc/71/86/54/1356718654.db2.gz TXNVIBHYNHBUAY-UHFFFAOYSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001675233545 1356948050 /nfs/dbraw/zinc/94/80/50/1356948050.db2.gz ABZPXLKULGILAX-SJORKVTESA-N 2 1 330.476 2.042 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237930 780226570 /nfs/dbraw/zinc/22/65/70/780226570.db2.gz SVXLTHXBHKSUIA-GOSISDBHSA-N 2 1 331.504 2.124 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001443947171 1098467283 /nfs/dbraw/zinc/46/72/83/1098467283.db2.gz RWRRXZLQOSCVSV-FUHWJXTLSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797769 1099712279 /nfs/dbraw/zinc/71/22/79/1099712279.db2.gz WQXPRVXQZBLNMU-VQIMIIECSA-N 2 1 342.487 2.225 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC ZINC001480179378 1099762710 /nfs/dbraw/zinc/76/27/10/1099762710.db2.gz GTOYRRAWUVOLOO-IPQPSQTFSA-N 2 1 331.504 2.386 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001480179378 1099762715 /nfs/dbraw/zinc/76/27/15/1099762715.db2.gz GTOYRRAWUVOLOO-IPQPSQTFSA-N 2 1 331.504 2.386 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCCC ZINC001480179378 1099762719 /nfs/dbraw/zinc/76/27/19/1099762719.db2.gz GTOYRRAWUVOLOO-IPQPSQTFSA-N 2 1 331.504 2.386 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCCC ZINC001480179378 1099762725 /nfs/dbraw/zinc/76/27/25/1099762725.db2.gz GTOYRRAWUVOLOO-IPQPSQTFSA-N 2 1 331.504 2.386 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001480463737 1100269331 /nfs/dbraw/zinc/26/93/31/1100269331.db2.gz HBONPILLANVACC-QANKJYHBSA-N 2 1 346.450 2.022 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001496581583 1101181594 /nfs/dbraw/zinc/18/15/94/1101181594.db2.gz NJTDVAAAKBZOBY-MRXNPFEDSA-N 2 1 345.472 2.055 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081036 1102024482 /nfs/dbraw/zinc/02/44/82/1102024482.db2.gz KHZUKUPQFXZDHI-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497601568 1102731799 /nfs/dbraw/zinc/73/17/99/1102731799.db2.gz QXTFNKVZWTXZGH-YRHSSTEGSA-N 2 1 331.504 2.172 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497601568 1102731807 /nfs/dbraw/zinc/73/18/07/1102731807.db2.gz QXTFNKVZWTXZGH-YRHSSTEGSA-N 2 1 331.504 2.172 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447870840 1103484296 /nfs/dbraw/zinc/48/42/96/1103484296.db2.gz QQCILKAESUUANI-UONOGXRCSA-N 2 1 346.450 2.164 10 30 EEEEMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095966 1104735699 /nfs/dbraw/zinc/73/56/99/1104735699.db2.gz ZWVJLFMWEWEAQQ-WBVHZDCISA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)C[NH2+]CCc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001480713986 1106942172 /nfs/dbraw/zinc/94/21/72/1106942172.db2.gz AGFGNRHWFJPBOA-UHFFFAOYSA-N 2 1 326.444 2.216 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001499530545 1112346990 /nfs/dbraw/zinc/34/69/90/1112346990.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001499530545 1112346995 /nfs/dbraw/zinc/34/69/95/1112346995.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001499530545 1112347001 /nfs/dbraw/zinc/34/70/01/1112347001.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570769 1112374886 /nfs/dbraw/zinc/37/48/86/1112374886.db2.gz UYQVZXXLPWJECR-IEBWSBKVSA-N 2 1 337.483 2.004 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001508241147 1115457999 /nfs/dbraw/zinc/45/79/99/1115457999.db2.gz FMSUYKXQDUGKJT-MRXNPFEDSA-N 2 1 333.451 2.449 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569131575 1125117368 /nfs/dbraw/zinc/11/73/68/1125117368.db2.gz TXLNMTPNUKRXIZ-SFHVURJKSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569131575 1125117371 /nfs/dbraw/zinc/11/73/71/1125117371.db2.gz TXLNMTPNUKRXIZ-SFHVURJKSA-N 2 1 341.499 2.349 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000174894316 464464946 /nfs/dbraw/zinc/46/49/46/464464946.db2.gz ARRBEUHNLHANSH-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000174894316 464464949 /nfs/dbraw/zinc/46/49/49/464464949.db2.gz ARRBEUHNLHANSH-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP CCCCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304800368 466317857 /nfs/dbraw/zinc/31/78/57/466317857.db2.gz OMBOAWRMKVRLHG-UHFFFAOYSA-N 2 1 337.556 2.421 10 30 EEEEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436345 468586113 /nfs/dbraw/zinc/58/61/13/468586113.db2.gz DFMZMPSYQAEVCQ-OALUTQOASA-N 2 1 342.487 2.378 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1F ZINC000600720655 468634465 /nfs/dbraw/zinc/63/44/65/468634465.db2.gz IWERPQFJDXWRIL-OAHLLOKOSA-N 2 1 328.391 2.464 10 30 EEEEMP C[N@@H+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302798 469200960 /nfs/dbraw/zinc/20/09/60/469200960.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302798 469200964 /nfs/dbraw/zinc/20/09/64/469200964.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302798 469200969 /nfs/dbraw/zinc/20/09/69/469200969.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 2 1 327.472 2.495 10 30 EEEEMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000085146264 528803900 /nfs/dbraw/zinc/80/39/00/528803900.db2.gz REWDIEWUCIUBPV-INIZCTEOSA-N 2 1 336.524 2.254 10 30 EEEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570981 1191839871 /nfs/dbraw/zinc/83/98/71/1191839871.db2.gz XSWFRKMOIUGVGY-CVEARBPZSA-N 2 1 330.476 2.238 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001485658882 1191879384 /nfs/dbraw/zinc/87/93/84/1191879384.db2.gz ZRLHHDZVNHTYRZ-GBESFXJTSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266469153 1176594881 /nfs/dbraw/zinc/59/48/81/1176594881.db2.gz GCJLDWOOYNMWAR-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267565144 1179371631 /nfs/dbraw/zinc/37/16/31/1179371631.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565144 1179371638 /nfs/dbraw/zinc/37/16/38/1179371638.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267565144 1179371648 /nfs/dbraw/zinc/37/16/48/1179371648.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001267834267 1180605777 /nfs/dbraw/zinc/60/57/77/1180605777.db2.gz USFFBTDFOGJQKR-LJQANCHMSA-N 2 1 339.483 2.151 10 30 EEEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001267974091 1180900355 /nfs/dbraw/zinc/90/03/55/1180900355.db2.gz MQLBPCCXDFJSMT-UHFFFAOYSA-N 2 1 345.531 2.446 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268472054 1182849847 /nfs/dbraw/zinc/84/98/47/1182849847.db2.gz XWMGGRNIULFBFF-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481988998 1183094105 /nfs/dbraw/zinc/09/41/05/1183094105.db2.gz WLELPPFYKZKDIG-JKSUJKDBSA-N 2 1 327.900 2.299 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268543577 1183215931 /nfs/dbraw/zinc/21/59/31/1183215931.db2.gz WLBZANQXEWJARH-ZRHASKPBSA-N 2 1 340.471 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001269740749 1184574025 /nfs/dbraw/zinc/57/40/25/1184574025.db2.gz IJNXKYIMKKSWSO-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001269740749 1184574031 /nfs/dbraw/zinc/57/40/31/1184574031.db2.gz IJNXKYIMKKSWSO-UXHICEINSA-N 2 1 345.531 2.493 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397630 1185606779 /nfs/dbraw/zinc/60/67/79/1185606779.db2.gz BVSVYYINRALYLA-UXHICEINSA-N 2 1 341.499 2.110 10 30 EEEEMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110138 1185892608 /nfs/dbraw/zinc/89/26/08/1185892608.db2.gz QTVHKNUSLOOJFB-CVEARBPZSA-N 2 1 343.462 2.366 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001271900333 1186596729 /nfs/dbraw/zinc/59/67/29/1186596729.db2.gz HSNMGIFYOCFHBB-WMZOPIPTSA-N 2 1 332.492 2.451 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272784442 1193496945 /nfs/dbraw/zinc/49/69/45/1193496945.db2.gz UXJLFVOPLGHJBU-CKEIUWERSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885193 1193629669 /nfs/dbraw/zinc/62/96/69/1193629669.db2.gz GRDIEYDJBJDFDF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885193 1193629670 /nfs/dbraw/zinc/62/96/70/1193629670.db2.gz GRDIEYDJBJDFDF-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272320524 1190759765 /nfs/dbraw/zinc/75/97/65/1190759765.db2.gz BALCYWBEUFMRIT-QAPCUYQASA-N 2 1 339.443 2.332 10 30 EEEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484168372 1191255100 /nfs/dbraw/zinc/25/51/00/1191255100.db2.gz XGLCYVBSPCBCGX-ICSRJNTNSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484168372 1191255101 /nfs/dbraw/zinc/25/51/01/1191255101.db2.gz XGLCYVBSPCBCGX-ICSRJNTNSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484168372 1191255103 /nfs/dbraw/zinc/25/51/03/1191255103.db2.gz XGLCYVBSPCBCGX-ICSRJNTNSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001484371735 1191319715 /nfs/dbraw/zinc/31/97/15/1191319715.db2.gz LZNUSEHWIAXBST-DLBZAZTESA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001484824491 1191542575 /nfs/dbraw/zinc/54/25/75/1191542575.db2.gz PJPWRZSMFVRLPJ-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001484824491 1191542576 /nfs/dbraw/zinc/54/25/76/1191542576.db2.gz PJPWRZSMFVRLPJ-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001484824491 1191542577 /nfs/dbraw/zinc/54/25/77/1191542577.db2.gz PJPWRZSMFVRLPJ-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001484824491 1191542578 /nfs/dbraw/zinc/54/25/78/1191542578.db2.gz PJPWRZSMFVRLPJ-IBGZPJMESA-N 2 1 329.488 2.447 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)C ZINC001485061833 1191639692 /nfs/dbraw/zinc/63/96/92/1191639692.db2.gz XMRLQPBUNBANSS-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001485061833 1191639693 /nfs/dbraw/zinc/63/96/93/1191639693.db2.gz XMRLQPBUNBANSS-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)C ZINC001485061833 1191639694 /nfs/dbraw/zinc/63/96/94/1191639694.db2.gz XMRLQPBUNBANSS-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)C ZINC001485061833 1191639695 /nfs/dbraw/zinc/63/96/95/1191639695.db2.gz XMRLQPBUNBANSS-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001485239477 1191705655 /nfs/dbraw/zinc/70/56/55/1191705655.db2.gz PQAMZLJHYZPWCK-UHFFFAOYSA-N 2 1 334.464 2.285 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330385 1197713848 /nfs/dbraw/zinc/71/38/48/1197713848.db2.gz PSQFZVIDUOJJEU-KRWDZBQOSA-N 2 1 348.516 2.287 10 30 EEEEMP C[C@H](C#N)OCC[NH+]1CCCC2(CCC[N@@H+](CCO[C@H](C)C#N)C2)C1 ZINC000810054212 1199226012 /nfs/dbraw/zinc/22/60/12/1199226012.db2.gz IULDMBOVHQKTCS-PWCSWUJKSA-N 2 1 348.491 2.022 10 30 EEEEMP C[C@H](C#N)OCC[NH+]1CCCC2(CCC[N@H+](CCO[C@H](C)C#N)C2)C1 ZINC000810054212 1199226014 /nfs/dbraw/zinc/22/60/14/1199226014.db2.gz IULDMBOVHQKTCS-PWCSWUJKSA-N 2 1 348.491 2.022 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000876723292 1199740228 /nfs/dbraw/zinc/74/02/28/1199740228.db2.gz RUZDACOUSQTDCQ-MRXNPFEDSA-N 2 1 335.879 2.409 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000876754364 1199757686 /nfs/dbraw/zinc/75/76/86/1199757686.db2.gz CBJJIFRZPKIXQO-CJNGLKHVSA-N 2 1 337.851 2.488 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876767321 1199765142 /nfs/dbraw/zinc/76/51/42/1199765142.db2.gz GPQHHFQUHQDIGP-COXVUDFISA-N 2 1 335.879 2.483 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666782 1201574387 /nfs/dbraw/zinc/57/43/87/1201574387.db2.gz WSRXDICIMXBYBZ-FHWLQOOXSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666782 1201574390 /nfs/dbraw/zinc/57/43/90/1201574390.db2.gz WSRXDICIMXBYBZ-FHWLQOOXSA-N 2 1 341.455 2.484 10 30 EEEEMP C#CCC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000887122045 1204208694 /nfs/dbraw/zinc/20/86/94/1204208694.db2.gz ITNLAUJEAYWTKM-UHFFFAOYSA-N 2 1 328.456 2.181 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275150033 1205268106 /nfs/dbraw/zinc/26/81/06/1205268106.db2.gz USHPWKRSIKZCTB-PKOBYXMFSA-N 2 1 327.472 2.005 10 30 EEEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001276137756 1205794943 /nfs/dbraw/zinc/79/49/43/1205794943.db2.gz GORFMCRPYWDCSD-HKUYNNGSSA-N 2 1 344.503 2.240 10 30 EEEEMP C#CCC1([NH2+]CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCC1 ZINC000933302910 1207755666 /nfs/dbraw/zinc/75/56/66/1207755666.db2.gz ZYZYPAREFGORKM-SFHVURJKSA-N 2 1 339.483 2.427 10 30 EEEEMP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303785251 1213905204 /nfs/dbraw/zinc/90/52/04/1213905204.db2.gz QDLRYDKZGOXXKF-MRXNPFEDSA-N 2 1 330.476 2.065 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001491113269 1258690929 /nfs/dbraw/zinc/69/09/29/1258690929.db2.gz DTYNDVKTVGBLJQ-GOSISDBHSA-N 2 1 333.520 2.350 10 30 EEEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001273560473 1279885136 /nfs/dbraw/zinc/88/51/36/1279885136.db2.gz OLDIVLBFSMGIQU-UHFFFAOYSA-N 2 1 329.488 2.208 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490163638 1290990642 /nfs/dbraw/zinc/99/06/42/1290990642.db2.gz CBRHOGBKJZZUTE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490163638 1290990646 /nfs/dbraw/zinc/99/06/46/1290990646.db2.gz CBRHOGBKJZZUTE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490163638 1290990650 /nfs/dbraw/zinc/99/06/50/1290990650.db2.gz CBRHOGBKJZZUTE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001276840837 1299875613 /nfs/dbraw/zinc/87/56/13/1299875613.db2.gz SEOBRAAPENPHSV-OTWHNJEPSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001276840837 1299875624 /nfs/dbraw/zinc/87/56/24/1299875624.db2.gz SEOBRAAPENPHSV-OTWHNJEPSA-N 2 1 342.487 2.212 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001277914270 1305076351 /nfs/dbraw/zinc/07/63/51/1305076351.db2.gz MWKRQMHRZNITDP-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C=CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001278079473 1305880647 /nfs/dbraw/zinc/88/06/47/1305880647.db2.gz IUIBGSVKMSMMTH-SFHVURJKSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[N@H+](C)CCN(C(=O)c1cnn(-c2ccncc2)c1)C(C)C ZINC001278926362 1318704305 /nfs/dbraw/zinc/70/43/05/1318704305.db2.gz ITSNQGGSQGHARJ-UHFFFAOYSA-N 2 1 339.443 2.073 10 30 EEEEMP C#CCC[N@@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001278926362 1318704312 /nfs/dbraw/zinc/70/43/12/1318704312.db2.gz ITSNQGGSQGHARJ-UHFFFAOYSA-N 2 1 339.443 2.073 10 30 EEEEMP C#CCC[N@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001278926362 1318704318 /nfs/dbraw/zinc/70/43/18/1318704318.db2.gz ITSNQGGSQGHARJ-UHFFFAOYSA-N 2 1 339.443 2.073 10 30 EEEEMP C#CC[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001262019529 1322223016 /nfs/dbraw/zinc/22/30/16/1322223016.db2.gz USUREIFEGNVIOF-RTBURBONSA-N 2 1 334.504 2.239 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)sc1C ZINC001264996142 1322844601 /nfs/dbraw/zinc/84/46/01/1322844601.db2.gz CGECBTUIGFDYTO-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)sc1C ZINC001264996142 1322844606 /nfs/dbraw/zinc/84/46/06/1322844606.db2.gz CGECBTUIGFDYTO-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)sc1C ZINC001264996142 1322844610 /nfs/dbraw/zinc/84/46/10/1322844610.db2.gz CGECBTUIGFDYTO-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)sc1C ZINC001264996142 1322844616 /nfs/dbraw/zinc/84/46/16/1322844616.db2.gz CGECBTUIGFDYTO-SFHVURJKSA-N 2 1 347.528 2.401 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265000681 1322847087 /nfs/dbraw/zinc/84/70/87/1322847087.db2.gz AYMYBYXVEUGYJG-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786015 1323380434 /nfs/dbraw/zinc/38/04/34/1323380434.db2.gz KKBOQEWZJIYBCV-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265912716 1323481824 /nfs/dbraw/zinc/48/18/24/1323481824.db2.gz KXVSCUBCARTNFL-GJZGRUSLSA-N 2 1 345.409 2.007 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265912716 1323481830 /nfs/dbraw/zinc/48/18/30/1323481830.db2.gz KXVSCUBCARTNFL-GJZGRUSLSA-N 2 1 345.409 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001266051375 1323602192 /nfs/dbraw/zinc/60/21/92/1323602192.db2.gz PUCWNBUETQBUDZ-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001266051375 1323602198 /nfs/dbraw/zinc/60/21/98/1323602198.db2.gz PUCWNBUETQBUDZ-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccc(C)cc1 ZINC001266051375 1323602203 /nfs/dbraw/zinc/60/22/03/1323602203.db2.gz PUCWNBUETQBUDZ-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccc(C)cc1 ZINC001266051375 1323602211 /nfs/dbraw/zinc/60/22/11/1323602211.db2.gz PUCWNBUETQBUDZ-FQEVSTJZSA-N 2 1 341.499 2.421 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001280207393 1324114435 /nfs/dbraw/zinc/11/44/35/1324114435.db2.gz KKMBTYAXSCBBKE-SXLOBPIMSA-N 2 1 341.499 2.346 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364330 1325700169 /nfs/dbraw/zinc/70/01/69/1325700169.db2.gz MIPISIRLXOLTDE-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364330 1325700170 /nfs/dbraw/zinc/70/01/70/1325700170.db2.gz MIPISIRLXOLTDE-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364330 1325700172 /nfs/dbraw/zinc/70/01/72/1325700172.db2.gz MIPISIRLXOLTDE-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364330 1325700175 /nfs/dbraw/zinc/70/01/75/1325700175.db2.gz MIPISIRLXOLTDE-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282477753 1325729514 /nfs/dbraw/zinc/72/95/14/1325729514.db2.gz JDFRYXTZOGEFDN-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282477753 1325729516 /nfs/dbraw/zinc/72/95/16/1325729516.db2.gz JDFRYXTZOGEFDN-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282477753 1325729517 /nfs/dbraw/zinc/72/95/17/1325729517.db2.gz JDFRYXTZOGEFDN-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282477753 1325729521 /nfs/dbraw/zinc/72/95/21/1325729521.db2.gz JDFRYXTZOGEFDN-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001283618294 1326165064 /nfs/dbraw/zinc/16/50/64/1326165064.db2.gz RRWAWWIWVXQEHL-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001283618294 1326165066 /nfs/dbraw/zinc/16/50/66/1326165066.db2.gz RRWAWWIWVXQEHL-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001324438950 1333683501 /nfs/dbraw/zinc/68/35/01/1333683501.db2.gz COMWSTMUNRIOOH-UHFFFAOYSA-N 2 1 347.425 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCCC1 ZINC001329472910 1334657029 /nfs/dbraw/zinc/65/70/29/1334657029.db2.gz UTXYOJVSEMHWLV-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCCC1 ZINC001329472910 1334657032 /nfs/dbraw/zinc/65/70/32/1334657032.db2.gz UTXYOJVSEMHWLV-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329472910 1334657039 /nfs/dbraw/zinc/65/70/39/1334657039.db2.gz UTXYOJVSEMHWLV-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329472910 1334657042 /nfs/dbraw/zinc/65/70/42/1334657042.db2.gz UTXYOJVSEMHWLV-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332114077 1335732839 /nfs/dbraw/zinc/73/28/39/1335732839.db2.gz UQSRRTLSGANNTC-UYAOXDASSA-N 2 1 349.519 2.177 10 30 EEEEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001479815470 1337394675 /nfs/dbraw/zinc/39/46/75/1337394675.db2.gz HXAVPQLIQLPDCW-IRXDYDNUSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001506664249 1342306926 /nfs/dbraw/zinc/30/69/26/1342306926.db2.gz JWGIVZZDZXCMSS-SFHVURJKSA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021584 1342680998 /nfs/dbraw/zinc/68/09/98/1342680998.db2.gz MDDYUZSDKHWIOX-PKOBYXMFSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCC1 ZINC001569610720 1342908068 /nfs/dbraw/zinc/90/80/68/1342908068.db2.gz WOWIYNZMTKFUDI-RBUKOAKNSA-N 2 1 333.520 2.396 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001569705741 1342927630 /nfs/dbraw/zinc/92/76/30/1342927630.db2.gz XKHVRJNCZXYJQU-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001676885765 1357231893 /nfs/dbraw/zinc/23/18/93/1357231893.db2.gz DLSWPOMSVOCUQN-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001676885765 1357231897 /nfs/dbraw/zinc/23/18/97/1357231897.db2.gz DLSWPOMSVOCUQN-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676888999 1357233586 /nfs/dbraw/zinc/23/35/86/1357233586.db2.gz XMNJQNOJCJSLRC-WMZOPIPTSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001657075576 1354317034 /nfs/dbraw/zinc/31/70/34/1354317034.db2.gz FHNACEQYPADPRZ-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001657075576 1354317038 /nfs/dbraw/zinc/31/70/38/1354317038.db2.gz FHNACEQYPADPRZ-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001660468651 1354469620 /nfs/dbraw/zinc/46/96/20/1354469620.db2.gz ZCWYOBCTJYARLB-IAGOWNOFSA-N 2 1 330.476 2.389 10 30 EEEEMP C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001663201341 1354935246 /nfs/dbraw/zinc/93/52/46/1354935246.db2.gz PZSVFTPKBWHMJT-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001663201341 1354935247 /nfs/dbraw/zinc/93/52/47/1354935247.db2.gz PZSVFTPKBWHMJT-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001663201341 1354935253 /nfs/dbraw/zinc/93/52/53/1354935253.db2.gz PZSVFTPKBWHMJT-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001663201341 1354935254 /nfs/dbraw/zinc/93/52/54/1354935254.db2.gz PZSVFTPKBWHMJT-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C=CCC[NH2+]CC1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001665957310 1355415422 /nfs/dbraw/zinc/41/54/22/1355415422.db2.gz ZFYIJBWDUOEEAK-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669572067 1356177204 /nfs/dbraw/zinc/17/72/04/1356177204.db2.gz MBRWNGTVHNPXNF-HKUYNNGSSA-N 2 1 327.472 2.007 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538841 1356550915 /nfs/dbraw/zinc/55/09/15/1356550915.db2.gz VDKKAVSIVULOFP-RTBURBONSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481686 1356844688 /nfs/dbraw/zinc/84/46/88/1356844688.db2.gz YLYXBTQTGZPITD-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674481686 1356844692 /nfs/dbraw/zinc/84/46/92/1356844692.db2.gz YLYXBTQTGZPITD-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674481686 1356844696 /nfs/dbraw/zinc/84/46/96/1356844696.db2.gz YLYXBTQTGZPITD-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001698882811 1405126172 /nfs/dbraw/zinc/12/61/72/1405126172.db2.gz JXTBWIAOHDHROL-IEBWSBKVSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001699578460 1405403882 /nfs/dbraw/zinc/40/38/82/1405403882.db2.gz MKXXFFHZJIYKAU-UXHICEINSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001699578460 1405403888 /nfs/dbraw/zinc/40/38/88/1405403888.db2.gz MKXXFFHZJIYKAU-UXHICEINSA-N 2 1 343.515 2.459 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001699759489 1405469397 /nfs/dbraw/zinc/46/93/97/1405469397.db2.gz WZFGNAMJWQLBHH-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797020 1405489214 /nfs/dbraw/zinc/48/92/14/1405489214.db2.gz SASHRBWYBZJILB-VQIMIIECSA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccsc2)CC1 ZINC000940157844 778191791 /nfs/dbraw/zinc/19/17/91/778191791.db2.gz BJRNERUBFXHWHL-KRWDZBQOSA-N 2 1 345.512 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccsc2)CC1 ZINC000940157844 778191797 /nfs/dbraw/zinc/19/17/97/778191797.db2.gz BJRNERUBFXHWHL-KRWDZBQOSA-N 2 1 345.512 2.316 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000912466722 788185312 /nfs/dbraw/zinc/18/53/12/788185312.db2.gz YSWWFTCSMSVGJD-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001448711634 1093781826 /nfs/dbraw/zinc/78/18/26/1093781826.db2.gz SHAODEVEWRHJKP-GJYPPUQNSA-N 2 1 342.487 2.225 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180038 /nfs/dbraw/zinc/18/00/38/1094180038.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180049 /nfs/dbraw/zinc/18/00/49/1094180049.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180053 /nfs/dbraw/zinc/18/00/53/1094180053.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858976 1095958013 /nfs/dbraw/zinc/95/80/13/1095958013.db2.gz JSWODMZVJCHGLY-RHSMWYFYSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479688841 1098749441 /nfs/dbraw/zinc/74/94/41/1098749441.db2.gz MOVJFFCKALUJLJ-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480168816 1099745297 /nfs/dbraw/zinc/74/52/97/1099745297.db2.gz ZMVBXTGGKVAPQG-IYARVYRRSA-N 2 1 347.890 2.270 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001480412155 1100230030 /nfs/dbraw/zinc/23/00/30/1100230030.db2.gz AKVVTUTUMOSBFI-UHFFFAOYSA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492445 1100304889 /nfs/dbraw/zinc/30/48/89/1100304889.db2.gz KLPBFRHICBWKDV-WMLDXEAASA-N 2 1 348.516 2.334 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681557 1101426799 /nfs/dbraw/zinc/42/67/99/1101426799.db2.gz HLTLXOAXMAFCLQ-JXFKEZNVSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681557 1101426810 /nfs/dbraw/zinc/42/68/10/1101426810.db2.gz HLTLXOAXMAFCLQ-JXFKEZNVSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497601566 1102732446 /nfs/dbraw/zinc/73/24/46/1102732446.db2.gz QXTFNKVZWTXZGH-MLNXKPFUSA-N 2 1 331.504 2.172 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497601566 1102732464 /nfs/dbraw/zinc/73/24/64/1102732464.db2.gz QXTFNKVZWTXZGH-MLNXKPFUSA-N 2 1 331.504 2.172 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCCC=C)CC2)CC1 ZINC001494214475 1103709666 /nfs/dbraw/zinc/70/96/66/1103709666.db2.gz KATCKMVLHBKYJZ-UHFFFAOYSA-N 2 1 345.531 2.468 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031929 1103841819 /nfs/dbraw/zinc/84/18/19/1103841819.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448031929 1103841833 /nfs/dbraw/zinc/84/18/33/1103841833.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448031929 1103841850 /nfs/dbraw/zinc/84/18/50/1103841850.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001498568039 1107734713 /nfs/dbraw/zinc/73/47/13/1107734713.db2.gz NXTLAVDJVVHLIR-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001493372119 1108010301 /nfs/dbraw/zinc/01/03/01/1108010301.db2.gz GTHVOLDMEUNRGN-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001493372119 1108010316 /nfs/dbraw/zinc/01/03/16/1108010316.db2.gz GTHVOLDMEUNRGN-QGZVFWFLSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(C)CC[N@H+](CCOC)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001499538504 1112352377 /nfs/dbraw/zinc/35/23/77/1112352377.db2.gz CLRMBQWEBIKNSZ-UHFFFAOYSA-N 2 1 348.491 2.097 10 30 EEEEMP C=C(C)CC[N@@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001499538504 1112352383 /nfs/dbraw/zinc/35/23/83/1112352383.db2.gz CLRMBQWEBIKNSZ-UHFFFAOYSA-N 2 1 348.491 2.097 10 30 EEEEMP C=C(C)CC[N@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001499538504 1112352388 /nfs/dbraw/zinc/35/23/88/1112352388.db2.gz CLRMBQWEBIKNSZ-UHFFFAOYSA-N 2 1 348.491 2.097 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001503691671 1113899952 /nfs/dbraw/zinc/89/99/52/1113899952.db2.gz OVPKMVKBKYERNX-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001503691671 1113899955 /nfs/dbraw/zinc/89/99/55/1113899955.db2.gz OVPKMVKBKYERNX-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001503691671 1113899957 /nfs/dbraw/zinc/89/99/57/1113899957.db2.gz OVPKMVKBKYERNX-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001505937477 1114289800 /nfs/dbraw/zinc/28/98/00/1114289800.db2.gz FMPHYSIQRAVGRR-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001505937477 1114289801 /nfs/dbraw/zinc/28/98/01/1114289801.db2.gz FMPHYSIQRAVGRR-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001505937477 1114289803 /nfs/dbraw/zinc/28/98/03/1114289803.db2.gz FMPHYSIQRAVGRR-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001505937477 1114289804 /nfs/dbraw/zinc/28/98/04/1114289804.db2.gz FMPHYSIQRAVGRR-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001506855130 1114919415 /nfs/dbraw/zinc/91/94/15/1114919415.db2.gz HIWVGVAYUVGQNR-OKZBNKHCSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001506855130 1114919419 /nfs/dbraw/zinc/91/94/19/1114919419.db2.gz HIWVGVAYUVGQNR-OKZBNKHCSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001506855130 1114919422 /nfs/dbraw/zinc/91/94/22/1114919422.db2.gz HIWVGVAYUVGQNR-OKZBNKHCSA-N 2 1 345.531 2.489 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1(C)C ZINC001507445552 1115273429 /nfs/dbraw/zinc/27/34/29/1115273429.db2.gz FBTDBGVXMAUJMT-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001508227699 1115453689 /nfs/dbraw/zinc/45/36/89/1115453689.db2.gz QKEDFYMULLJSCV-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001508227699 1115453690 /nfs/dbraw/zinc/45/36/90/1115453690.db2.gz QKEDFYMULLJSCV-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001508227699 1115453691 /nfs/dbraw/zinc/45/36/91/1115453691.db2.gz QKEDFYMULLJSCV-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001567945313 1124200033 /nfs/dbraw/zinc/20/00/33/1124200033.db2.gz LNYILVAYWYSGEN-FQEVSTJZSA-N 2 1 339.483 2.057 10 30 EEEEMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001567945313 1124200034 /nfs/dbraw/zinc/20/00/34/1124200034.db2.gz LNYILVAYWYSGEN-FQEVSTJZSA-N 2 1 339.483 2.057 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(C)C)C1CCCCC1 ZINC001568343196 1124427892 /nfs/dbraw/zinc/42/78/92/1124427892.db2.gz CZDRFPWNIWBPDF-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(C)C)C1CCCCC1 ZINC001568343196 1124427897 /nfs/dbraw/zinc/42/78/97/1124427897.db2.gz CZDRFPWNIWBPDF-OALUTQOASA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568393374 1124463620 /nfs/dbraw/zinc/46/36/20/1124463620.db2.gz KRIMVNWVLVYSBU-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001569062356 1125073799 /nfs/dbraw/zinc/07/37/99/1125073799.db2.gz XJSUTQVOJMMRAR-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001569062356 1125073807 /nfs/dbraw/zinc/07/38/07/1125073807.db2.gz XJSUTQVOJMMRAR-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657530917 471162952 /nfs/dbraw/zinc/16/29/52/471162952.db2.gz UUTPVFZAILRPPI-MSOLQXFVSA-N 2 1 329.492 2.453 10 30 EEEEMP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657530920 471163134 /nfs/dbraw/zinc/16/31/34/471163134.db2.gz UUTPVFZAILRPPI-ROUUACIJSA-N 2 1 329.492 2.453 10 30 EEEEMP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662758341 472237954 /nfs/dbraw/zinc/23/79/54/472237954.db2.gz QSSZIMBKZCJKTL-FQEVSTJZSA-N 2 1 342.487 2.071 10 30 EEEEMP CC[NH+]=C(NCc1ncccc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000097013642 693254706 /nfs/dbraw/zinc/25/47/06/693254706.db2.gz VRAQNGBUDRPIEJ-MRXNPFEDSA-N 2 1 329.492 2.462 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](F)CC)CC1 ZINC001272734126 1192404843 /nfs/dbraw/zinc/40/48/43/1192404843.db2.gz LTQCTIWGCXIIAH-XSLAGTTESA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](F)CC)CC1 ZINC001272734126 1192404845 /nfs/dbraw/zinc/40/48/45/1192404845.db2.gz LTQCTIWGCXIIAH-XSLAGTTESA-N 2 1 337.483 2.097 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001266752691 1177352411 /nfs/dbraw/zinc/35/24/11/1177352411.db2.gz VAYJNEQWDGUTNY-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266752691 1177352418 /nfs/dbraw/zinc/35/24/18/1177352418.db2.gz VAYJNEQWDGUTNY-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001266752691 1177352427 /nfs/dbraw/zinc/35/24/27/1177352427.db2.gz VAYJNEQWDGUTNY-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001266752691 1177352435 /nfs/dbraw/zinc/35/24/35/1177352435.db2.gz VAYJNEQWDGUTNY-OALUTQOASA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266841963 1177519688 /nfs/dbraw/zinc/51/96/88/1177519688.db2.gz FKLFDTLAMMYTRM-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266841963 1177519693 /nfs/dbraw/zinc/51/96/93/1177519693.db2.gz FKLFDTLAMMYTRM-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895033 1177738888 /nfs/dbraw/zinc/73/88/88/1177738888.db2.gz LHCMPJCZTYWSHR-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266895033 1177738895 /nfs/dbraw/zinc/73/88/95/1177738895.db2.gz LHCMPJCZTYWSHR-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001671364342 1178193965 /nfs/dbraw/zinc/19/39/65/1178193965.db2.gz LDLUDFXWPNXTEU-KRWDZBQOSA-N 2 1 325.416 2.038 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685040 1180157944 /nfs/dbraw/zinc/15/79/44/1180157944.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267685040 1180157946 /nfs/dbraw/zinc/15/79/46/1180157946.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267685040 1180157952 /nfs/dbraw/zinc/15/79/52/1180157952.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001481354525 1181105520 /nfs/dbraw/zinc/10/55/20/1181105520.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 2 1 339.499 2.439 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001481354525 1181105524 /nfs/dbraw/zinc/10/55/24/1181105524.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 2 1 339.499 2.439 10 30 EEEEMP CC#CC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001481354525 1181105526 /nfs/dbraw/zinc/10/55/26/1181105526.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 2 1 339.499 2.439 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365952 1181134319 /nfs/dbraw/zinc/13/43/19/1181134319.db2.gz UUDJXDHONXATTE-OALUTQOASA-N 2 1 327.472 2.331 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630917 1183556316 /nfs/dbraw/zinc/55/63/16/1183556316.db2.gz SMLLBVJYBWPUPS-PHWHVTFISA-N 2 1 340.471 2.195 10 30 EEEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270325901 1185018721 /nfs/dbraw/zinc/01/87/21/1185018721.db2.gz NBEBUGNYLQEGHO-MRXNPFEDSA-N 2 1 330.476 2.164 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701629 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ZKUHWHAMVKBJLF-CABCVRRESA-N 2 1 347.425 2.111 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520768 1194042541 /nfs/dbraw/zinc/04/25/41/1194042541.db2.gz IRRSHBQKNNRPGM-ROUUACIJSA-N 2 1 349.519 2.058 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511451 1198910857 /nfs/dbraw/zinc/91/08/57/1198910857.db2.gz VTSVTFHXNWEZHX-AZUAARDMSA-N 2 1 327.472 2.085 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000876723291 1199739696 /nfs/dbraw/zinc/73/96/96/1199739696.db2.gz RUZDACOUSQTDCQ-INIZCTEOSA-N 2 1 335.879 2.409 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666783 1201574354 /nfs/dbraw/zinc/57/43/54/1201574354.db2.gz WSRXDICIMXBYBZ-OTWHNJEPSA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666783 1201574355 /nfs/dbraw/zinc/57/43/55/1201574355.db2.gz WSRXDICIMXBYBZ-OTWHNJEPSA-N 2 1 341.455 2.484 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001276176819 1205815528 /nfs/dbraw/zinc/81/55/28/1205815528.db2.gz YYILPIXTYXOTIK-CALCHBBNSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001490770629 1291711125 /nfs/dbraw/zinc/71/11/25/1291711125.db2.gz DCQDWHGUVUSKQE-LJQANCHMSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCOCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000851842722 1291879060 /nfs/dbraw/zinc/87/90/60/1291879060.db2.gz NKITYTITIAPDJP-UHFFFAOYSA-N 2 1 330.476 2.424 10 30 EEEEMP C#CCOCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000851842722 1291879072 /nfs/dbraw/zinc/87/90/72/1291879072.db2.gz NKITYTITIAPDJP-UHFFFAOYSA-N 2 1 330.476 2.424 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277907037 1305050043 /nfs/dbraw/zinc/05/00/43/1305050043.db2.gz IJSQGJHJEGCKDX-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001278177009 1306181724 /nfs/dbraw/zinc/18/17/24/1306181724.db2.gz GUKQSEDUKPOSTK-IBGZPJMESA-N 2 1 343.515 2.058 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001278184070 1306208632 /nfs/dbraw/zinc/20/86/32/1306208632.db2.gz GWZPWCFAAVGAEF-SJORKVTESA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CC(=C)C)C2)CC1 ZINC001278692956 1317755169 /nfs/dbraw/zinc/75/51/69/1317755169.db2.gz CCZIKGFYDSILEL-HXUWFJFHSA-N 2 1 331.504 2.126 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001264679259 1322780240 /nfs/dbraw/zinc/78/02/40/1322780240.db2.gz AMZZHXDNIFICJK-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001265027476 1322871055 /nfs/dbraw/zinc/87/10/55/1322871055.db2.gz QGVFWOUFJNECKA-IRXDYDNUSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001265027476 1322871061 /nfs/dbraw/zinc/87/10/61/1322871061.db2.gz QGVFWOUFJNECKA-IRXDYDNUSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597398 1323254828 /nfs/dbraw/zinc/25/48/28/1323254828.db2.gz XMSIZZLRIXNEEE-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597398 1323254835 /nfs/dbraw/zinc/25/48/35/1323254835.db2.gz XMSIZZLRIXNEEE-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001266088063 1323645875 /nfs/dbraw/zinc/64/58/75/1323645875.db2.gz KXNPAJTXSGXXSL-HXUWFJFHSA-N 2 1 341.499 2.333 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001279262197 1323860034 /nfs/dbraw/zinc/86/00/34/1323860034.db2.gz LFOVNQOWEDNBKP-SHTZXODSSA-N 2 1 334.464 2.048 10 30 EEEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279310982 1323870122 /nfs/dbraw/zinc/87/01/22/1323870122.db2.gz AUKNYEMDFLDASP-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001280761448 1324488464 /nfs/dbraw/zinc/48/84/64/1324488464.db2.gz XWSXITMPBNOIHN-PMACEKPBSA-N 2 1 341.499 2.349 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316621827 1325779498 /nfs/dbraw/zinc/77/94/98/1325779498.db2.gz SVEQIYZVYBIJSX-ZCNNSNEGSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167604 1331033430 /nfs/dbraw/zinc/03/34/30/1331033430.db2.gz WMNQOILAKZUCSI-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167604 1331033432 /nfs/dbraw/zinc/03/34/32/1331033432.db2.gz WMNQOILAKZUCSI-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001492293960 1331171759 /nfs/dbraw/zinc/17/17/59/1331171759.db2.gz SSKXZDRCXJDZJU-FQEVSTJZSA-N 2 1 341.499 2.257 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001492293960 1331171761 /nfs/dbraw/zinc/17/17/61/1331171761.db2.gz SSKXZDRCXJDZJU-FQEVSTJZSA-N 2 1 341.499 2.257 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001492293960 1331171763 /nfs/dbraw/zinc/17/17/63/1331171763.db2.gz SSKXZDRCXJDZJU-FQEVSTJZSA-N 2 1 341.499 2.257 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001492293960 1331171764 /nfs/dbraw/zinc/17/17/64/1331171764.db2.gz SSKXZDRCXJDZJU-FQEVSTJZSA-N 2 1 341.499 2.257 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001316955130 1332014658 /nfs/dbraw/zinc/01/46/58/1332014658.db2.gz PZLBFBYYNVOCPG-OAHLLOKOSA-N 2 1 348.516 2.432 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001316955130 1332014662 /nfs/dbraw/zinc/01/46/62/1332014662.db2.gz PZLBFBYYNVOCPG-OAHLLOKOSA-N 2 1 348.516 2.432 10 30 EEEEMP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317384499 1332209450 /nfs/dbraw/zinc/20/94/50/1332209450.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317384499 1332209452 /nfs/dbraw/zinc/20/94/52/1332209452.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317384499 1332209455 /nfs/dbraw/zinc/20/94/55/1332209455.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 2 1 339.524 2.090 10 30 EEEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001319144638 1332656546 /nfs/dbraw/zinc/65/65/46/1332656546.db2.gz IHEDTEDSJZOHSG-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001319144638 1332656548 /nfs/dbraw/zinc/65/65/48/1332656548.db2.gz IHEDTEDSJZOHSG-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001321098566 1333019998 /nfs/dbraw/zinc/01/99/98/1333019998.db2.gz WVGWHGXOTOKJSY-QWNKOJSDSA-N 2 1 345.512 2.225 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001321098566 1333020001 /nfs/dbraw/zinc/02/00/01/1333020001.db2.gz WVGWHGXOTOKJSY-QWNKOJSDSA-N 2 1 345.512 2.225 10 30 EEEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001323066502 1333379317 /nfs/dbraw/zinc/37/93/17/1333379317.db2.gz YGGODHRSLREDJH-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225213 1334048246 /nfs/dbraw/zinc/04/82/46/1334048246.db2.gz SQSGAHXFUGVQMI-RHSMWYFYSA-N 2 1 346.500 2.042 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098611 1334395824 /nfs/dbraw/zinc/39/58/24/1334395824.db2.gz PDBJRPPIDPQCRW-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805911 1334525360 /nfs/dbraw/zinc/52/53/60/1334525360.db2.gz GUICNHOCTHESAN-MSOLQXFVSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221881 1335773664 /nfs/dbraw/zinc/77/36/64/1335773664.db2.gz PIHPVUNRYYQEEO-RTBURBONSA-N 2 1 329.488 2.364 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001567192506 1342709057 /nfs/dbraw/zinc/70/90/57/1342709057.db2.gz AZTKEACRZUMMMO-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001567192506 1342709060 /nfs/dbraw/zinc/70/90/60/1342709060.db2.gz AZTKEACRZUMMMO-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001567192506 1342709062 /nfs/dbraw/zinc/70/90/62/1342709062.db2.gz AZTKEACRZUMMMO-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001567192506 1342709065 /nfs/dbraw/zinc/70/90/65/1342709065.db2.gz AZTKEACRZUMMMO-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208619 1342712192 /nfs/dbraw/zinc/71/21/92/1342712192.db2.gz RTBDSKFICGDKNX-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001569442533 1342870922 /nfs/dbraw/zinc/87/09/22/1342870922.db2.gz YJLVJTBAPWWNAE-YQQQUEKLSA-N 2 1 349.519 2.177 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001571284818 1343174426 /nfs/dbraw/zinc/17/44/26/1343174426.db2.gz VJZUTFNRPPNJRB-HNNXBMFYSA-N 2 1 339.443 2.138 10 30 EEEEMP CC#CC[NH2+]CCC[C@@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001676144142 1357113942 /nfs/dbraw/zinc/11/39/42/1357113942.db2.gz KCPGVCCWJPRITD-LJQANCHMSA-N 2 1 338.455 2.442 10 30 EEEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821123 1357213937 /nfs/dbraw/zinc/21/39/37/1357213937.db2.gz RFFGSYJKMOTMIX-ICSRJNTNSA-N 2 1 331.504 2.389 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554671 1352631547 /nfs/dbraw/zinc/63/15/47/1352631547.db2.gz GBWZTMSZFGKYHZ-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554671 1352631549 /nfs/dbraw/zinc/63/15/49/1352631549.db2.gz GBWZTMSZFGKYHZ-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001657076396 1354318241 /nfs/dbraw/zinc/31/82/41/1354318241.db2.gz WCWOMYQLRTYQGR-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001657076396 1354318245 /nfs/dbraw/zinc/31/82/45/1354318245.db2.gz WCWOMYQLRTYQGR-KRWDZBQOSA-N 2 1 330.476 2.343 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001660464778 1354468837 /nfs/dbraw/zinc/46/88/37/1354468837.db2.gz LVHXHDSDRDOZFC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001671432750 1356338142 /nfs/dbraw/zinc/33/81/42/1356338142.db2.gz XAPMYHHWBVUKER-ROUUACIJSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001671487085 1356348334 /nfs/dbraw/zinc/34/83/34/1356348334.db2.gz KOWMIGGFBGLWFN-IBGZPJMESA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001671854019 1356425451 /nfs/dbraw/zinc/42/54/51/1356425451.db2.gz KCCQFAZRLIYKTF-UHFFFAOYSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419698 1356520038 /nfs/dbraw/zinc/52/00/38/1356520038.db2.gz OCTJHDRLXJOBFW-HAGHYFMRSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419698 1356520044 /nfs/dbraw/zinc/52/00/44/1356520044.db2.gz OCTJHDRLXJOBFW-HAGHYFMRSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419698 1356520049 /nfs/dbraw/zinc/52/00/49/1356520049.db2.gz OCTJHDRLXJOBFW-HAGHYFMRSA-N 2 1 345.531 2.156 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001672419698 1356520053 /nfs/dbraw/zinc/52/00/53/1356520053.db2.gz OCTJHDRLXJOBFW-HAGHYFMRSA-N 2 1 345.531 2.156 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1([NH+](C)C)CCC1)CO2 ZINC001673561379 1356711190 /nfs/dbraw/zinc/71/11/90/1356711190.db2.gz PGGYFRRZKBOISY-QGZVFWFLSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674499971 1356849163 /nfs/dbraw/zinc/84/91/63/1356849163.db2.gz TZWQYBBAGYFQIV-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674499971 1356849166 /nfs/dbraw/zinc/84/91/66/1356849166.db2.gz TZWQYBBAGYFQIV-OALUTQOASA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccsc1 ZINC001674839634 1356902135 /nfs/dbraw/zinc/90/21/35/1356902135.db2.gz KYUYTZLBDBUXBR-KRWDZBQOSA-N 2 1 347.528 2.420 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccsc1 ZINC001674839634 1356902138 /nfs/dbraw/zinc/90/21/38/1356902138.db2.gz KYUYTZLBDBUXBR-KRWDZBQOSA-N 2 1 347.528 2.420 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001690846817 1404941554 /nfs/dbraw/zinc/94/15/54/1404941554.db2.gz SBNJJURLFRGQLB-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001690846817 1404941565 /nfs/dbraw/zinc/94/15/65/1404941565.db2.gz SBNJJURLFRGQLB-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067339 779819212 /nfs/dbraw/zinc/81/92/12/779819212.db2.gz BJHJAWSLHOMYFO-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067339 779819218 /nfs/dbraw/zinc/81/92/18/779819218.db2.gz BJHJAWSLHOMYFO-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)C1CC[NH+](C)CC1 ZINC000917578912 798286545 /nfs/dbraw/zinc/28/65/45/798286545.db2.gz ZJSJQMSGSYNTOG-LJQANCHMSA-N 2 1 348.535 2.380 10 30 EEEEMP CCO[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000922753564 801817161 /nfs/dbraw/zinc/81/71/61/801817161.db2.gz HOLAYHDPIDTYBN-IBGZPJMESA-N 2 1 330.476 2.083 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851134 1091488478 /nfs/dbraw/zinc/48/84/78/1091488478.db2.gz QBNZRQFZRUXSER-SFHVURJKSA-N 2 1 348.466 2.268 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849722 1095934464 /nfs/dbraw/zinc/93/44/64/1095934464.db2.gz MYJXOQCTMDKFQK-YJBOKZPZSA-N 2 1 328.460 2.025 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402921 1096725043 /nfs/dbraw/zinc/72/50/43/1096725043.db2.gz DEVOEFBTGMOSOI-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402921 1096725045 /nfs/dbraw/zinc/72/50/45/1096725045.db2.gz DEVOEFBTGMOSOI-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402921 1096725053 /nfs/dbraw/zinc/72/50/53/1096725053.db2.gz DEVOEFBTGMOSOI-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479618353 1098644277 /nfs/dbraw/zinc/64/42/77/1098644277.db2.gz XHBNJUNOWSNDHX-GUDVDZBRSA-N 2 1 329.488 2.487 10 30 EEEEMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479618353 1098644280 /nfs/dbraw/zinc/64/42/80/1098644280.db2.gz XHBNJUNOWSNDHX-GUDVDZBRSA-N 2 1 329.488 2.487 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085542 1099639628 /nfs/dbraw/zinc/63/96/28/1099639628.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480085542 1099639632 /nfs/dbraw/zinc/63/96/32/1099639632.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480085542 1099639635 /nfs/dbraw/zinc/63/96/35/1099639635.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472059 1100279191 /nfs/dbraw/zinc/27/91/91/1100279191.db2.gz MRKQNJQTIJIIML-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493123 /nfs/dbraw/zinc/49/31/23/1103493123.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493134 /nfs/dbraw/zinc/49/31/34/1103493134.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493137 /nfs/dbraw/zinc/49/31/37/1103493137.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 2 1 342.487 2.227 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001494317538 1103890627 /nfs/dbraw/zinc/89/06/27/1103890627.db2.gz KEACEDRZXRNAKN-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004153 1104646822 /nfs/dbraw/zinc/64/68/22/1104646822.db2.gz UDHACCGOAPONBA-MRXNPFEDSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480666505 1106847175 /nfs/dbraw/zinc/84/71/75/1106847175.db2.gz VZFVZDYPLSOVPU-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001498054668 1106849716 /nfs/dbraw/zinc/84/97/16/1106849716.db2.gz CVUYIORDICKLQU-SCTDSRPQSA-N 2 1 327.472 2.248 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001498054668 1106849726 /nfs/dbraw/zinc/84/97/26/1106849726.db2.gz CVUYIORDICKLQU-SCTDSRPQSA-N 2 1 327.472 2.248 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978600 1108407932 /nfs/dbraw/zinc/40/79/32/1108407932.db2.gz HEXITTJASXTGNC-MJGOQNOKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498978600 1108407938 /nfs/dbraw/zinc/40/79/38/1108407938.db2.gz HEXITTJASXTGNC-MJGOQNOKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498978600 1108407941 /nfs/dbraw/zinc/40/79/41/1108407941.db2.gz HEXITTJASXTGNC-MJGOQNOKSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479424736 1110695136 /nfs/dbraw/zinc/69/51/36/1110695136.db2.gz KLLGLLKPLHFKKB-XUVXKRRUSA-N 2 1 341.499 2.180 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001499528143 1112343885 /nfs/dbraw/zinc/34/38/85/1112343885.db2.gz SDSIDNUMUGRHDB-UHFFFAOYSA-N 2 1 343.515 2.341 10 30 EEEEMP C#CCC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CCC)cccc2C1 ZINC001501856844 1113499659 /nfs/dbraw/zinc/49/96/59/1113499659.db2.gz JLPFDIRZAUHYNW-UHFFFAOYSA-N 2 1 341.499 2.416 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001503263438 1113882529 /nfs/dbraw/zinc/88/25/29/1113882529.db2.gz RIYJDDLDNJXWDQ-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001503263438 1113882532 /nfs/dbraw/zinc/88/25/32/1113882532.db2.gz RIYJDDLDNJXWDQ-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938061 1114987864 /nfs/dbraw/zinc/98/78/64/1114987864.db2.gz JXKKVSCYIOOTDR-SJORKVTESA-N 2 1 342.487 2.275 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC/C=C\CC)CC1 ZINC001506962916 1115011042 /nfs/dbraw/zinc/01/10/42/1115011042.db2.gz VXNGSYULSMUNHL-RURPWVQCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC/C=C\CC)CC1 ZINC001506962916 1115011045 /nfs/dbraw/zinc/01/10/45/1115011045.db2.gz VXNGSYULSMUNHL-RURPWVQCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C\CC)CC1 ZINC001506962916 1115011049 /nfs/dbraw/zinc/01/10/49/1115011049.db2.gz VXNGSYULSMUNHL-RURPWVQCSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC/C=C\CC)CC1 ZINC001506962916 1115011052 /nfs/dbraw/zinc/01/10/52/1115011052.db2.gz VXNGSYULSMUNHL-RURPWVQCSA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001507139677 1115128962 /nfs/dbraw/zinc/12/89/62/1115128962.db2.gz XIMFHMZOJWCCET-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCOCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001568000946 1124224443 /nfs/dbraw/zinc/22/44/43/1124224443.db2.gz MCYFJLBCURYVDN-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329197318 465263985 /nfs/dbraw/zinc/26/39/85/465263985.db2.gz UDQSPJIIDRAURP-QFBILLFUSA-N 2 1 347.507 2.491 10 30 EEEEMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)CC1 ZINC000245713084 464508969 /nfs/dbraw/zinc/50/89/69/464508969.db2.gz GJJYYRILEHEHRU-MJGOQNOKSA-N 2 1 342.487 2.189 10 30 EEEEMP Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000330201467 465567030 /nfs/dbraw/zinc/56/70/30/465567030.db2.gz XVJLHIKSTXBHGP-MRXNPFEDSA-N 2 1 342.447 2.303 10 30 EEEEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000371844329 466031942 /nfs/dbraw/zinc/03/19/42/466031942.db2.gz MSPWPRMIQGLZGO-UHFFFAOYSA-N 2 1 334.508 2.192 10 30 EEEEMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599284695 469191133 /nfs/dbraw/zinc/19/11/33/469191133.db2.gz XYEYNTXDEPQKMV-GOSISDBHSA-N 2 1 337.508 2.110 10 30 EEEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216247 /nfs/dbraw/zinc/21/62/47/469216247.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216253 /nfs/dbraw/zinc/21/62/53/469216253.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 2 1 347.503 2.006 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216258 /nfs/dbraw/zinc/21/62/58/469216258.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 2 1 347.503 2.006 10 30 EEEEMP C=CCc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000648071673 471074735 /nfs/dbraw/zinc/07/47/35/471074735.db2.gz OGIXHVIKMXODGT-UHFFFAOYSA-N 2 1 346.471 2.426 10 30 EEEEMP C=CCc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000648071673 471074740 /nfs/dbraw/zinc/07/47/40/471074740.db2.gz OGIXHVIKMXODGT-UHFFFAOYSA-N 2 1 346.471 2.426 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001485730482 1191920798 /nfs/dbraw/zinc/92/07/98/1191920798.db2.gz LOYHJMPIFRRCKF-KRWDZBQOSA-N 2 1 338.455 2.118 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497184 1176843386 /nfs/dbraw/zinc/84/33/86/1176843386.db2.gz NPYUAKMFTIXERY-HKUYNNGSSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001266596436 1176911046 /nfs/dbraw/zinc/91/10/46/1176911046.db2.gz FDLXJYRJVCEEKA-QLOJAFMTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001266596436 1176911052 /nfs/dbraw/zinc/91/10/52/1176911052.db2.gz FDLXJYRJVCEEKA-QLOJAFMTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCC(C)CC1)C1CC1 ZINC001266596436 1176911054 /nfs/dbraw/zinc/91/10/54/1176911054.db2.gz FDLXJYRJVCEEKA-QLOJAFMTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCC(C)CC1)C1CC1 ZINC001266596436 1176911063 /nfs/dbraw/zinc/91/10/63/1176911063.db2.gz FDLXJYRJVCEEKA-QLOJAFMTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C(C)C ZINC001496568762 1177035631 /nfs/dbraw/zinc/03/56/31/1177035631.db2.gz CLGSOWHYKIGTRF-KGLIPLIRSA-N 2 1 346.302 2.133 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C(C)C ZINC001496568762 1177035640 /nfs/dbraw/zinc/03/56/40/1177035640.db2.gz CLGSOWHYKIGTRF-KGLIPLIRSA-N 2 1 346.302 2.133 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)CC[NH+](C)C ZINC001267319842 1178749966 /nfs/dbraw/zinc/74/99/66/1178749966.db2.gz UVNWRZJUHBDZSG-UHFFFAOYSA-N 2 1 329.488 2.207 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098830 1179736479 /nfs/dbraw/zinc/73/64/79/1179736479.db2.gz ICMNESBWKDKDES-LSDHHAIUSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098830 1179736483 /nfs/dbraw/zinc/73/64/83/1179736483.db2.gz ICMNESBWKDKDES-LSDHHAIUSA-N 2 1 334.464 2.143 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267733336 1180327325 /nfs/dbraw/zinc/32/73/25/1180327325.db2.gz LETXBCYQXIMMGR-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001267733336 1180327331 /nfs/dbraw/zinc/32/73/31/1180327331.db2.gz LETXBCYQXIMMGR-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001267733336 1180327334 /nfs/dbraw/zinc/32/73/34/1180327334.db2.gz LETXBCYQXIMMGR-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292775 1184145812 /nfs/dbraw/zinc/14/58/12/1184145812.db2.gz PQXBTLMVJUUBIS-MOPGFXCFSA-N 2 1 345.462 2.050 10 30 EEEEMP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292775 1184145818 /nfs/dbraw/zinc/14/58/18/1184145818.db2.gz PQXBTLMVJUUBIS-MOPGFXCFSA-N 2 1 345.462 2.050 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699803 1184529538 /nfs/dbraw/zinc/52/95/38/1184529538.db2.gz JTTNWSJKYZTRRF-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001269699803 1184529543 /nfs/dbraw/zinc/52/95/43/1184529543.db2.gz JTTNWSJKYZTRRF-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001269913916 1184714328 /nfs/dbraw/zinc/71/43/28/1184714328.db2.gz QBFVJSHNFMQJEO-UHFFFAOYSA-N 2 1 330.476 2.248 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650840 1185267003 /nfs/dbraw/zinc/26/70/03/1185267003.db2.gz NLKXQSLVAKJLGL-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001270807182 1185406407 /nfs/dbraw/zinc/40/64/07/1185406407.db2.gz WGUYCZCLZNVVLC-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892293 1186586062 /nfs/dbraw/zinc/58/60/62/1186586062.db2.gz RDDARLWGCHFEJP-OKYOBFRVSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001670854819 1187507679 /nfs/dbraw/zinc/50/76/79/1187507679.db2.gz KUWAQWXSMDXBQD-ZBFHGGJFSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710221 1189879684 /nfs/dbraw/zinc/87/96/84/1189879684.db2.gz VSDMDJUQBFOVRZ-AABGKKOBSA-N 2 1 339.483 2.016 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001483818943 1191046919 /nfs/dbraw/zinc/04/69/19/1191046919.db2.gz XMGWIGMOMKXJPF-FQEVSTJZSA-N 2 1 345.531 2.443 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001483966047 1191134536 /nfs/dbraw/zinc/13/45/36/1191134536.db2.gz DNDRHLUFFNQVSK-MRXNPFEDSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001484875778 1191559419 /nfs/dbraw/zinc/55/94/19/1191559419.db2.gz RDCGVAQEFVNLIR-UHFFFAOYSA-N 2 1 339.483 2.374 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001484923320 1191576509 /nfs/dbraw/zinc/57/65/09/1191576509.db2.gz MHTFIUDJFGDUKV-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001485030520 1191620919 /nfs/dbraw/zinc/62/09/19/1191620919.db2.gz DHGHXJOVWLECEH-UHFFFAOYSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485476447 1191804583 /nfs/dbraw/zinc/80/45/83/1191804583.db2.gz LKKXACCQJKPSCL-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485476447 1191804584 /nfs/dbraw/zinc/80/45/84/1191804584.db2.gz LKKXACCQJKPSCL-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001486250338 1193776954 /nfs/dbraw/zinc/77/69/54/1193776954.db2.gz PRGLPKGJENFXIU-MSOLQXFVSA-N 2 1 327.472 2.139 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486453407 1193974987 /nfs/dbraw/zinc/97/49/87/1193974987.db2.gz ZKUHWHAMVKBJLF-HUUCEWRRSA-N 2 1 347.425 2.111 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001273980181 1202185420 /nfs/dbraw/zinc/18/54/20/1202185420.db2.gz VPKYSHYCTSTWLX-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CCCC[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001491356939 1258990947 /nfs/dbraw/zinc/99/09/47/1258990947.db2.gz YKAFHKFMCXSNJE-UHFFFAOYSA-N 2 1 334.464 2.333 10 30 EEEEMP C[C@@H](c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000852866212 1292220204 /nfs/dbraw/zinc/22/02/04/1292220204.db2.gz GPXLKMAKDMSGFF-INIZCTEOSA-N 2 1 341.455 2.021 10 30 EEEEMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001276840834 1299876345 /nfs/dbraw/zinc/87/63/45/1299876345.db2.gz SEOBRAAPENPHSV-FHWLQOOXSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001276840834 1299876353 /nfs/dbraw/zinc/87/63/53/1299876353.db2.gz SEOBRAAPENPHSV-FHWLQOOXSA-N 2 1 342.487 2.212 10 30 EEEEMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001253539664 1317879160 /nfs/dbraw/zinc/87/91/60/1317879160.db2.gz VVAMPIULRGVMEJ-UHFFFAOYSA-N 2 1 327.472 2.125 10 30 EEEEMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001262948733 1322402742 /nfs/dbraw/zinc/40/27/42/1322402742.db2.gz VJKYGXBAXIGXPK-INIZCTEOSA-N 2 1 332.496 2.153 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001265368675 1323102198 /nfs/dbraw/zinc/10/21/98/1323102198.db2.gz VXTMPYQHGBQKFZ-RBUKOAKNSA-N 2 1 331.504 2.291 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001265501859 1323185278 /nfs/dbraw/zinc/18/52/78/1323185278.db2.gz SQGUOGOJUSRQLA-QAQDUYKDSA-N 2 1 347.890 2.270 10 30 EEEEMP CC[C@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001265871904 1323444637 /nfs/dbraw/zinc/44/46/37/1323444637.db2.gz IYEWQEDQJQZWBR-GOSISDBHSA-N 2 1 349.906 2.470 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102912 1323667599 /nfs/dbraw/zinc/66/75/99/1323667599.db2.gz NIWQANQKIYUOQF-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266102912 1323667611 /nfs/dbraw/zinc/66/76/11/1323667611.db2.gz NIWQANQKIYUOQF-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266102912 1323667618 /nfs/dbraw/zinc/66/76/18/1323667618.db2.gz NIWQANQKIYUOQF-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598317 1323953378 /nfs/dbraw/zinc/95/33/78/1323953378.db2.gz VTNDVYHZUVZCCK-OALUTQOASA-N 2 1 349.519 2.130 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280198175 1324111009 /nfs/dbraw/zinc/11/10/09/1324111009.db2.gz OFTDBXXJTXOWML-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001281776585 1325449506 /nfs/dbraw/zinc/44/95/06/1325449506.db2.gz OEBIDPXWGGYFTD-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001281776585 1325449510 /nfs/dbraw/zinc/44/95/10/1325449510.db2.gz OEBIDPXWGGYFTD-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001281776585 1325449516 /nfs/dbraw/zinc/44/95/16/1325449516.db2.gz OEBIDPXWGGYFTD-IBGZPJMESA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282066410 1325606859 /nfs/dbraw/zinc/60/68/59/1325606859.db2.gz IWNHORNKCZONBL-KVZIAJEVSA-N 2 1 327.472 2.187 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283178514 1325945978 /nfs/dbraw/zinc/94/59/78/1325945978.db2.gz RPNYWCPWTHUGHK-FRQCXROJSA-N 2 1 342.487 2.273 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683251 1330204646 /nfs/dbraw/zinc/20/46/46/1330204646.db2.gz RDDNCHGUEBXMLF-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001316861392 1331662414 /nfs/dbraw/zinc/66/24/14/1331662414.db2.gz CNSQLFXFUMTHFR-GOSISDBHSA-N 2 1 348.466 2.222 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001317838821 1332426180 /nfs/dbraw/zinc/42/61/80/1332426180.db2.gz BGLFZPAEHIAELD-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001317838821 1332426182 /nfs/dbraw/zinc/42/61/82/1332426182.db2.gz BGLFZPAEHIAELD-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001317838821 1332426184 /nfs/dbraw/zinc/42/61/84/1332426184.db2.gz BGLFZPAEHIAELD-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001317838821 1332426186 /nfs/dbraw/zinc/42/61/86/1332426186.db2.gz BGLFZPAEHIAELD-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840839 1332427669 /nfs/dbraw/zinc/42/76/69/1332427669.db2.gz VZRRRACDGNWCMI-YJBOKZPZSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840839 1332427673 /nfs/dbraw/zinc/42/76/73/1332427673.db2.gz VZRRRACDGNWCMI-YJBOKZPZSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317840839 1332427677 /nfs/dbraw/zinc/42/76/77/1332427677.db2.gz VZRRRACDGNWCMI-YJBOKZPZSA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317840839 1332427680 /nfs/dbraw/zinc/42/76/80/1332427680.db2.gz VZRRRACDGNWCMI-YJBOKZPZSA-N 2 1 345.491 2.146 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317883613 1332440503 /nfs/dbraw/zinc/44/05/03/1332440503.db2.gz CVTRQDWVEVRVOF-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001318712728 1332581975 /nfs/dbraw/zinc/58/19/75/1332581975.db2.gz IUWQPVPTABAUCR-QZTJIDSGSA-N 2 1 325.472 2.259 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320464927 1332890191 /nfs/dbraw/zinc/89/01/91/1332890191.db2.gz VVOZUUFNBVGJQE-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324432004 1333681579 /nfs/dbraw/zinc/68/15/79/1333681579.db2.gz MZMIZMNRKBXABX-GOSISDBHSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001333471633 1336054835 /nfs/dbraw/zinc/05/48/35/1336054835.db2.gz OQXAJKJSDGQCBM-IBGZPJMESA-N 2 1 345.462 2.428 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001567504604 1342773593 /nfs/dbraw/zinc/77/35/93/1342773593.db2.gz QAXXNNXKQTVWGY-INIZCTEOSA-N 2 1 334.489 2.042 10 30 EEEEMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001570216007 1343033013 /nfs/dbraw/zinc/03/30/13/1343033013.db2.gz RJVMPYQYTHMILS-LJQANCHMSA-N 2 1 347.478 2.298 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219865 1343034568 /nfs/dbraw/zinc/03/45/68/1343034568.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001570219865 1343034573 /nfs/dbraw/zinc/03/45/73/1343034573.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001570219865 1343034578 /nfs/dbraw/zinc/03/45/78/1343034578.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001676243245 1357125313 /nfs/dbraw/zinc/12/53/13/1357125313.db2.gz AYJOIZINNBIBKW-AEFFLSMTSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676820422 1357212818 /nfs/dbraw/zinc/21/28/18/1357212818.db2.gz KXVHUNVRSQIXNC-CMKODMSKSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676820422 1357212822 /nfs/dbraw/zinc/21/28/22/1357212822.db2.gz KXVHUNVRSQIXNC-CMKODMSKSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC001677645254 1357382768 /nfs/dbraw/zinc/38/27/68/1357382768.db2.gz VHYJURRQQKUCCQ-RDJZCZTQSA-N 2 1 345.462 2.285 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001657076483 1354318056 /nfs/dbraw/zinc/31/80/56/1354318056.db2.gz ZZRCDUZSLFZZJC-FQEVSTJZSA-N 2 1 341.499 2.350 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001661235649 1354615236 /nfs/dbraw/zinc/61/52/36/1354615236.db2.gz MADOSUAGGAUXRR-LJQANCHMSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001664721805 1355222240 /nfs/dbraw/zinc/22/22/40/1355222240.db2.gz LBFUYTIRERDFFX-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001664721805 1355222249 /nfs/dbraw/zinc/22/22/49/1355222249.db2.gz LBFUYTIRERDFFX-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001664721805 1355222254 /nfs/dbraw/zinc/22/22/54/1355222254.db2.gz LBFUYTIRERDFFX-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001664721805 1355222258 /nfs/dbraw/zinc/22/22/58/1355222258.db2.gz LBFUYTIRERDFFX-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C\CC)CC1 ZINC001666291075 1355504238 /nfs/dbraw/zinc/50/42/38/1355504238.db2.gz NZZBJHSMPIFYSY-CXLTZZKYSA-N 2 1 331.504 2.457 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C\CC)CC1 ZINC001666291075 1355504241 /nfs/dbraw/zinc/50/42/41/1355504241.db2.gz NZZBJHSMPIFYSY-CXLTZZKYSA-N 2 1 331.504 2.457 10 30 EEEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001666347769 1355515569 /nfs/dbraw/zinc/51/55/69/1355515569.db2.gz RGIKCTHIRVAMKF-IBGZPJMESA-N 2 1 345.487 2.079 10 30 EEEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001666347769 1355515574 /nfs/dbraw/zinc/51/55/74/1355515574.db2.gz RGIKCTHIRVAMKF-IBGZPJMESA-N 2 1 345.487 2.079 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771887 1355812770 /nfs/dbraw/zinc/81/27/70/1355812770.db2.gz USHIAQXHJSHUNZ-UXHICEINSA-N 2 1 341.499 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1 ZINC001668868882 1356029729 /nfs/dbraw/zinc/02/97/29/1356029729.db2.gz TXDJLPRIXAMNQA-QDYBUIJZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1 ZINC001668868882 1356029733 /nfs/dbraw/zinc/02/97/33/1356029733.db2.gz TXDJLPRIXAMNQA-QDYBUIJZSA-N 2 1 343.446 2.246 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669846063 1356224040 /nfs/dbraw/zinc/22/40/40/1356224040.db2.gz QQAGRWWRAYTHIY-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001672392791 1356514421 /nfs/dbraw/zinc/51/44/21/1356514421.db2.gz PUKWVAZYJKWWRM-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674749410 1356889151 /nfs/dbraw/zinc/88/91/51/1356889151.db2.gz ZAOZJCPNJVFJHM-GJZGRUSLSA-N 2 1 327.432 2.330 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C(C)C ZINC001675585322 1357008894 /nfs/dbraw/zinc/00/88/94/1357008894.db2.gz VNIAEWSWFIXODV-GGPKGHCWSA-N 2 1 348.535 2.278 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC001681567420 1358033670 /nfs/dbraw/zinc/03/36/70/1358033670.db2.gz FAQWKOOOTHBNKL-WJFTUGDTSA-N 2 1 348.535 2.324 10 30 EEEEMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621854 1405012341 /nfs/dbraw/zinc/01/23/41/1405012341.db2.gz ZGGFRDFSSFSEOF-MJGOQNOKSA-N 2 1 345.462 2.003 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017454 1405232028 /nfs/dbraw/zinc/23/20/28/1405232028.db2.gz BNTUGMHFPVZOEU-GOEBONIOSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCC)CC2CC2)CC1 ZINC001699687268 1405440494 /nfs/dbraw/zinc/44/04/94/1405440494.db2.gz BEUVCJLHHUOLKH-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCC)CC2CC2)CC1 ZINC001699687268 1405440500 /nfs/dbraw/zinc/44/05/00/1405440500.db2.gz BEUVCJLHHUOLKH-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCC)CC2CC2)CC1 ZINC001699687268 1405440507 /nfs/dbraw/zinc/44/05/07/1405440507.db2.gz BEUVCJLHHUOLKH-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCC)CC2CC2)CC1 ZINC001699687268 1405440516 /nfs/dbraw/zinc/44/05/16/1405440516.db2.gz BEUVCJLHHUOLKH-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001699982383 1405624310 /nfs/dbraw/zinc/62/43/10/1405624310.db2.gz VRTKBUHIOCVLQU-FHWLQOOXSA-N 2 1 333.520 2.396 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001566124401 1125571421 /nfs/dbraw/zinc/57/14/21/1125571421.db2.gz ROECKQLJGYSCPA-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001566124401 1125571423 /nfs/dbraw/zinc/57/14/23/1125571423.db2.gz ROECKQLJGYSCPA-WMZOPIPTSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC2CCCC2)CC1 ZINC001566576092 1125756198 /nfs/dbraw/zinc/75/61/98/1125756198.db2.gz BYQWGFUMPXKRFT-UHFFFAOYSA-N 2 1 333.520 2.350 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437673553 1090203263 /nfs/dbraw/zinc/20/32/63/1090203263.db2.gz PXRWKPAAGOJTOR-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437673553 1090203267 /nfs/dbraw/zinc/20/32/67/1090203267.db2.gz PXRWKPAAGOJTOR-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1C#N ZINC001448707300 1093774421 /nfs/dbraw/zinc/77/44/21/1093774421.db2.gz GMACDPUZWARCGF-IKGGRYGDSA-N 2 1 342.487 2.225 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181441 /nfs/dbraw/zinc/18/14/41/1094181441.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181443 /nfs/dbraw/zinc/18/14/43/1094181443.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181444 /nfs/dbraw/zinc/18/14/44/1094181444.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257569 1094657027 /nfs/dbraw/zinc/65/70/27/1094657027.db2.gz HVPOASCPIRNGMP-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257569 1094657030 /nfs/dbraw/zinc/65/70/30/1094657030.db2.gz HVPOASCPIRNGMP-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257569 1094657036 /nfs/dbraw/zinc/65/70/36/1094657036.db2.gz HVPOASCPIRNGMP-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001444198649 1098752944 /nfs/dbraw/zinc/75/29/44/1098752944.db2.gz KQWHDIQXIPEZOA-QGZVFWFLSA-N 2 1 335.879 2.487 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC001480027625 1099514827 /nfs/dbraw/zinc/51/48/27/1099514827.db2.gz NFGMNPBPFSGYMG-UXHICEINSA-N 2 1 339.483 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC001480027625 1099514837 /nfs/dbraw/zinc/51/48/37/1099514837.db2.gz NFGMNPBPFSGYMG-UXHICEINSA-N 2 1 339.483 2.077 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480208373 1099815990 /nfs/dbraw/zinc/81/59/90/1099815990.db2.gz CLMDAASNJOUSOP-CEXWTWQISA-N 2 1 340.471 2.169 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521796 1100352237 /nfs/dbraw/zinc/35/22/37/1100352237.db2.gz LFHISYHWFFOKRC-VQIMIIECSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001496415223 1101008840 /nfs/dbraw/zinc/00/88/40/1101008840.db2.gz NZSIKONSRUKNPI-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995633 /nfs/dbraw/zinc/99/56/33/1102995633.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995639 /nfs/dbraw/zinc/99/56/39/1102995639.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995649 /nfs/dbraw/zinc/99/56/49/1102995649.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001493888159 1103048415 /nfs/dbraw/zinc/04/84/15/1103048415.db2.gz DDPCPZIHPVTCEC-OALUTQOASA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001493888159 1103048430 /nfs/dbraw/zinc/04/84/30/1103048430.db2.gz DDPCPZIHPVTCEC-OALUTQOASA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC)c1ccccc1 ZINC001493897375 1103070050 /nfs/dbraw/zinc/07/00/50/1103070050.db2.gz YJHKGJBNGFUAOI-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC)c1ccccc1 ZINC001493897375 1103070067 /nfs/dbraw/zinc/07/00/67/1103070067.db2.gz YJHKGJBNGFUAOI-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001494018341 1103353603 /nfs/dbraw/zinc/35/36/03/1103353603.db2.gz LPCHAFVEKHRGAP-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494018341 1103353616 /nfs/dbraw/zinc/35/36/16/1103353616.db2.gz LPCHAFVEKHRGAP-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494018341 1103353628 /nfs/dbraw/zinc/35/36/28/1103353628.db2.gz LPCHAFVEKHRGAP-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001494792293 1104373875 /nfs/dbraw/zinc/37/38/75/1104373875.db2.gz ZGWUKAOJVDEMDK-HXUWFJFHSA-N 2 1 339.483 2.105 10 30 EEEEMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001494792293 1104373883 /nfs/dbraw/zinc/37/38/83/1104373883.db2.gz ZGWUKAOJVDEMDK-HXUWFJFHSA-N 2 1 339.483 2.105 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001480771615 1107086111 /nfs/dbraw/zinc/08/61/11/1107086111.db2.gz WNQUYQBWSCKFER-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001480771615 1107086125 /nfs/dbraw/zinc/08/61/25/1107086125.db2.gz WNQUYQBWSCKFER-YJBOKZPZSA-N 2 1 347.890 2.422 10 30 EEEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CN(CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339639 /nfs/dbraw/zinc/33/96/39/1112339639.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339645 /nfs/dbraw/zinc/33/96/45/1112339645.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339649 /nfs/dbraw/zinc/33/96/49/1112339649.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339654 /nfs/dbraw/zinc/33/96/54/1112339654.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339659 /nfs/dbraw/zinc/33/96/59/1112339659.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500039122 1112588540 /nfs/dbraw/zinc/58/85/40/1112588540.db2.gz IXJWKGSTOMGMGI-MRXNPFEDSA-N 2 1 337.483 2.145 10 30 EEEEMP C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001502404819 1113670345 /nfs/dbraw/zinc/67/03/45/1113670345.db2.gz NUOCQKFRUIWNFT-KDURUIRLSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001502404819 1113670347 /nfs/dbraw/zinc/67/03/47/1113670347.db2.gz NUOCQKFRUIWNFT-KDURUIRLSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503001737 1113870230 /nfs/dbraw/zinc/87/02/30/1113870230.db2.gz IZWHDYQUGXYKRG-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001505813464 1114209367 /nfs/dbraw/zinc/20/93/67/1114209367.db2.gz PFLCOZKFNHKLDV-QGZVFWFLSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001506854227 1114918626 /nfs/dbraw/zinc/91/86/26/1114918626.db2.gz LIFDMYLXVNJBKY-IPMKNSEASA-N 2 1 342.487 2.212 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001506854227 1114918629 /nfs/dbraw/zinc/91/86/29/1114918629.db2.gz LIFDMYLXVNJBKY-IPMKNSEASA-N 2 1 342.487 2.212 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001507363539 1115223652 /nfs/dbraw/zinc/22/36/52/1115223652.db2.gz LXTOHTDLCLUUTC-OWCLPIDISA-N 2 1 327.900 2.297 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001507363552 1115223828 /nfs/dbraw/zinc/22/38/28/1115223828.db2.gz MAKFPYUMXMMDSN-GUDVDZBRSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508230749 1115455519 /nfs/dbraw/zinc/45/55/19/1115455519.db2.gz TWTOYQLDNQDNIJ-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)C)cc1F ZINC001508236381 1115457088 /nfs/dbraw/zinc/45/70/88/1115457088.db2.gz QSDRRRSDTYBIAP-IBGZPJMESA-N 2 1 343.446 2.205 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)C)cc1F ZINC001508236381 1115457090 /nfs/dbraw/zinc/45/70/90/1115457090.db2.gz QSDRRRSDTYBIAP-IBGZPJMESA-N 2 1 343.446 2.205 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001568437622 1124505399 /nfs/dbraw/zinc/50/53/99/1124505399.db2.gz BTZANNZUYLRXAE-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001568437622 1124505406 /nfs/dbraw/zinc/50/54/06/1124505406.db2.gz BTZANNZUYLRXAE-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001568437622 1124505414 /nfs/dbraw/zinc/50/54/14/1124505414.db2.gz BTZANNZUYLRXAE-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568800991 1124814728 /nfs/dbraw/zinc/81/47/28/1124814728.db2.gz YNMPLMDHBUJOOV-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329902515 465468997 /nfs/dbraw/zinc/46/89/97/465468997.db2.gz PLLDCOAPHPJJQG-JKSUJKDBSA-N 2 1 333.480 2.070 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329902515 465468999 /nfs/dbraw/zinc/46/89/99/465468999.db2.gz PLLDCOAPHPJJQG-JKSUJKDBSA-N 2 1 333.480 2.070 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000596660330 469325632 /nfs/dbraw/zinc/32/56/32/469325632.db2.gz YXMFPTHUZMIDLL-HNNXBMFYSA-N 2 1 331.464 2.146 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000596660330 469325638 /nfs/dbraw/zinc/32/56/38/469325638.db2.gz YXMFPTHUZMIDLL-HNNXBMFYSA-N 2 1 331.464 2.146 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794801 472254884 /nfs/dbraw/zinc/25/48/84/472254884.db2.gz UBUNEKXWQDHVNN-ILZDJORESA-N 2 1 327.472 2.321 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741712293 578122811 /nfs/dbraw/zinc/12/28/11/578122811.db2.gz SVEYTYOJUJFZHG-SOLBZPMBSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741712293 578122812 /nfs/dbraw/zinc/12/28/12/578122812.db2.gz SVEYTYOJUJFZHG-SOLBZPMBSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000741712293 578122813 /nfs/dbraw/zinc/12/28/13/578122813.db2.gz SVEYTYOJUJFZHG-SOLBZPMBSA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000741712293 578122814 /nfs/dbraw/zinc/12/28/14/578122814.db2.gz SVEYTYOJUJFZHG-SOLBZPMBSA-N 2 1 345.512 2.345 10 30 EEEEMP C[C@@]1(CNC(=[NH2+])N2CCSCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162457880 682016158 /nfs/dbraw/zinc/01/61/58/682016158.db2.gz MFIQRTIEMRCBSI-SFHVURJKSA-N 2 1 332.517 2.405 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001485577500 1191845261 /nfs/dbraw/zinc/84/52/61/1191845261.db2.gz ODOOFOGNNQRWIM-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548728 /nfs/dbraw/zinc/54/87/28/1176548728.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548740 /nfs/dbraw/zinc/54/87/40/1176548740.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548745 /nfs/dbraw/zinc/54/87/45/1176548745.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548758 /nfs/dbraw/zinc/54/87/58/1176548758.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548769 /nfs/dbraw/zinc/54/87/69/1176548769.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCCF)CC1 ZINC001691075238 1177528921 /nfs/dbraw/zinc/52/89/21/1177528921.db2.gz QJIJMGLNIUYPLM-GOSISDBHSA-N 2 1 337.483 2.004 10 30 EEEEMP CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)CC[NH+]1CCCCC1 ZINC001267117623 1178281111 /nfs/dbraw/zinc/28/11/11/1178281111.db2.gz UJFKSCJDICZSEE-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267226968 1178544006 /nfs/dbraw/zinc/54/40/06/1178544006.db2.gz XWCNVGAERAHMPF-SFHVURJKSA-N 2 1 349.906 2.326 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267226968 1178544009 /nfs/dbraw/zinc/54/40/09/1178544009.db2.gz XWCNVGAERAHMPF-SFHVURJKSA-N 2 1 349.906 2.326 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(CF)cc1 ZINC001480980566 1179417798 /nfs/dbraw/zinc/41/77/98/1179417798.db2.gz JXXNNLCPCPXMJR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(CF)cc1 ZINC001480980566 1179417802 /nfs/dbraw/zinc/41/78/02/1179417802.db2.gz JXXNNLCPCPXMJR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(CF)cc1 ZINC001480980566 1179417806 /nfs/dbraw/zinc/41/78/06/1179417806.db2.gz JXXNNLCPCPXMJR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(CF)cc1 ZINC001480980566 1179417811 /nfs/dbraw/zinc/41/78/11/1179417811.db2.gz JXXNNLCPCPXMJR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496150 1181563677 /nfs/dbraw/zinc/56/36/77/1181563677.db2.gz HTNYZFAOWACGEW-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496150 1181563680 /nfs/dbraw/zinc/56/36/80/1181563680.db2.gz HTNYZFAOWACGEW-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481583828 1181790367 /nfs/dbraw/zinc/79/03/67/1181790367.db2.gz LNVNJJXBGWMXCM-AHRSYUTCSA-N 2 1 341.499 2.487 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001268375995 1182390366 /nfs/dbraw/zinc/39/03/66/1182390366.db2.gz ZJIAJPDSFOSDLD-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001268375995 1182390369 /nfs/dbraw/zinc/39/03/69/1182390369.db2.gz ZJIAJPDSFOSDLD-LPHOPBHVSA-N 2 1 345.462 2.238 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268439742 1182614977 /nfs/dbraw/zinc/61/49/77/1182614977.db2.gz UHCLPHZHQPDARD-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776934 1182674632 /nfs/dbraw/zinc/67/46/32/1182674632.db2.gz CCKRESDZEOSDOP-UXHICEINSA-N 2 1 341.499 2.301 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482068388 1183292556 /nfs/dbraw/zinc/29/25/56/1183292556.db2.gz KZNLUHUMQSWMOZ-LJQANCHMSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109550 1183339656 /nfs/dbraw/zinc/33/96/56/1183339656.db2.gz GLDULSWLRYQVLG-MJGOQNOKSA-N 2 1 345.531 2.396 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109550 1183339663 /nfs/dbraw/zinc/33/96/63/1183339663.db2.gz GLDULSWLRYQVLG-MJGOQNOKSA-N 2 1 345.531 2.396 10 30 EEEEMP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268799166 1183715400 /nfs/dbraw/zinc/71/54/00/1183715400.db2.gz VXVXPVDVUYUVPK-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376652 1183887198 /nfs/dbraw/zinc/88/71/98/1183887198.db2.gz WSQPEVXTDLMRCK-UONOGXRCSA-N 2 1 335.414 2.129 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(N(CC#N)CC2CC2)CC1 ZINC001269633592 1184458989 /nfs/dbraw/zinc/45/89/89/1184458989.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 1 332.492 2.086 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346006 1185035407 /nfs/dbraw/zinc/03/54/07/1185035407.db2.gz WGHGAYVBCIWUFH-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001482422763 1185667639 /nfs/dbraw/zinc/66/76/39/1185667639.db2.gz GXYKKBJESNQYDR-HOCLYGCPSA-N 2 1 334.464 2.143 10 30 EEEEMP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271287156 1186121966 /nfs/dbraw/zinc/12/19/66/1186121966.db2.gz ZJOFPMVNHDYYIW-WOJBJXKFSA-N 2 1 341.499 2.253 10 30 EEEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110740 1187912952 /nfs/dbraw/zinc/91/29/52/1187912952.db2.gz DUJGUPCZVKRFRK-DOTOQJQBSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110740 1187912956 /nfs/dbraw/zinc/91/29/56/1187912956.db2.gz DUJGUPCZVKRFRK-DOTOQJQBSA-N 2 1 332.492 2.499 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC=C)C1 ZINC001691620172 1188320693 /nfs/dbraw/zinc/32/06/93/1188320693.db2.gz HYJLKHLRJXQSGO-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC=C)C1 ZINC001691620172 1188320695 /nfs/dbraw/zinc/32/06/95/1188320695.db2.gz HYJLKHLRJXQSGO-MOPGFXCFSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]21 ZINC001272223731 1188380052 /nfs/dbraw/zinc/38/00/52/1188380052.db2.gz JABQHNZVDNCTOG-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001691805448 1189233462 /nfs/dbraw/zinc/23/34/62/1189233462.db2.gz UZNWABJGADCFEZ-HNNXBMFYSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001691805448 1189233464 /nfs/dbraw/zinc/23/34/64/1189233464.db2.gz UZNWABJGADCFEZ-HNNXBMFYSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661391 1193611479 /nfs/dbraw/zinc/61/14/79/1193611479.db2.gz RZGQNYUUNFNPLI-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001691661391 1193611480 /nfs/dbraw/zinc/61/14/80/1193611480.db2.gz RZGQNYUUNFNPLI-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001483983651 1191141948 /nfs/dbraw/zinc/14/19/48/1191141948.db2.gz JEDKNKOLJIJURX-UHFFFAOYSA-N 2 1 328.460 2.084 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001483989439 1191144548 /nfs/dbraw/zinc/14/45/48/1191144548.db2.gz JTRQRMAHSSRAMF-IBGZPJMESA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468136 1191372720 /nfs/dbraw/zinc/37/27/20/1191372720.db2.gz XXEYMSZYTWAZMZ-RBUKOAKNSA-N 2 1 331.504 2.341 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000872239537 1198106006 /nfs/dbraw/zinc/10/60/06/1198106006.db2.gz RDPWFWICSOANLX-FGZHOGPDSA-N 2 1 347.462 2.252 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000872239537 1198106008 /nfs/dbraw/zinc/10/60/08/1198106008.db2.gz RDPWFWICSOANLX-FGZHOGPDSA-N 2 1 347.462 2.252 10 30 EEEEMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000867965469 1201716781 /nfs/dbraw/zinc/71/67/81/1201716781.db2.gz CFEZWDQKMOWHNZ-IBGZPJMESA-N 2 1 332.407 2.029 10 30 EEEEMP C#CCOCC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930861112 1206588630 /nfs/dbraw/zinc/58/86/30/1206588630.db2.gz DOZHQWWDRZGTON-HDICACEKSA-N 2 1 330.472 2.377 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001691743955 1215437607 /nfs/dbraw/zinc/43/76/07/1215437607.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001691743955 1215437608 /nfs/dbraw/zinc/43/76/08/1215437608.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001691743955 1215437613 /nfs/dbraw/zinc/43/76/13/1215437613.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001490568147 1291465776 /nfs/dbraw/zinc/46/57/76/1291465776.db2.gz YQNKQRAXKFRPPJ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001490568147 1291465781 /nfs/dbraw/zinc/46/57/81/1291465781.db2.gz YQNKQRAXKFRPPJ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001490568147 1291465788 /nfs/dbraw/zinc/46/57/88/1291465788.db2.gz YQNKQRAXKFRPPJ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001490568147 1291465793 /nfs/dbraw/zinc/46/57/93/1291465793.db2.gz YQNKQRAXKFRPPJ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+][C@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001277591371 1303956650 /nfs/dbraw/zinc/95/66/50/1303956650.db2.gz IXMCSWIWFAHMNO-GOSISDBHSA-N 2 1 339.443 2.025 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](CC=C)CC1 ZINC001278205791 1306298589 /nfs/dbraw/zinc/29/85/89/1306298589.db2.gz FRCZBHGMPRDYHP-UHFFFAOYSA-N 2 1 339.483 2.231 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](CC=C)CC1 ZINC001278205791 1306298603 /nfs/dbraw/zinc/29/86/03/1306298603.db2.gz FRCZBHGMPRDYHP-UHFFFAOYSA-N 2 1 339.483 2.231 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676551 1310923145 /nfs/dbraw/zinc/92/31/45/1310923145.db2.gz ODSUQQBPNRKNBA-RTBURBONSA-N 2 1 348.535 2.284 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676551 1310923149 /nfs/dbraw/zinc/92/31/49/1310923149.db2.gz ODSUQQBPNRKNBA-RTBURBONSA-N 2 1 348.535 2.284 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)c1cc(-n2ccnc2)ccc1O ZINC001156672233 1318153773 /nfs/dbraw/zinc/15/37/73/1318153773.db2.gz KCMXGUJVGFBPOK-UHFFFAOYSA-N 2 1 328.416 2.158 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264596058 1322745827 /nfs/dbraw/zinc/74/58/27/1322745827.db2.gz GRPRYJGMODLYHJ-QRVBRYPASA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264596058 1322745833 /nfs/dbraw/zinc/74/58/33/1322745833.db2.gz GRPRYJGMODLYHJ-QRVBRYPASA-N 2 1 345.462 2.073 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC001265036442 1322878427 /nfs/dbraw/zinc/87/84/27/1322878427.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001265036442 1322878433 /nfs/dbraw/zinc/87/84/33/1322878433.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001265036442 1322878439 /nfs/dbraw/zinc/87/84/39/1322878439.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 2 1 344.503 2.474 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001265948694 1323511976 /nfs/dbraw/zinc/51/19/76/1323511976.db2.gz ZYACMTZVLYFVOI-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001265948694 1323511985 /nfs/dbraw/zinc/51/19/85/1323511985.db2.gz ZYACMTZVLYFVOI-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001265948694 1323511993 /nfs/dbraw/zinc/51/19/93/1323511993.db2.gz ZYACMTZVLYFVOI-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001265979732 1323540215 /nfs/dbraw/zinc/54/02/15/1323540215.db2.gz RYDGSIIGEGGXET-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001265979732 1323540220 /nfs/dbraw/zinc/54/02/20/1323540220.db2.gz RYDGSIIGEGGXET-MAUKXSAKSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231423 1323810983 /nfs/dbraw/zinc/81/09/83/1323810983.db2.gz HYNTVYHPLISFIY-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231423 1323810990 /nfs/dbraw/zinc/81/09/90/1323810990.db2.gz HYNTVYHPLISFIY-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@H]2C1 ZINC001279396033 1323896307 /nfs/dbraw/zinc/89/63/07/1323896307.db2.gz QUKKBTLLRXETHP-BGYRXZFFSA-N 2 1 341.499 2.127 10 30 EEEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@H]2C1 ZINC001279396033 1323896310 /nfs/dbraw/zinc/89/63/10/1323896310.db2.gz QUKKBTLLRXETHP-BGYRXZFFSA-N 2 1 341.499 2.127 10 30 EEEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@H]2C1 ZINC001279396033 1323896315 /nfs/dbraw/zinc/89/63/15/1323896315.db2.gz QUKKBTLLRXETHP-BGYRXZFFSA-N 2 1 341.499 2.127 10 30 EEEEMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001281064259 1324751032 /nfs/dbraw/zinc/75/10/32/1324751032.db2.gz WAFJVCZRBPVCHX-LJQANCHMSA-N 2 1 338.455 2.462 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282442583 1325722542 /nfs/dbraw/zinc/72/25/42/1325722542.db2.gz CDTRPKCGRSZUSL-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1Cl ZINC001282442583 1325722544 /nfs/dbraw/zinc/72/25/44/1325722544.db2.gz CDTRPKCGRSZUSL-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282442583 1325722546 /nfs/dbraw/zinc/72/25/46/1325722546.db2.gz CDTRPKCGRSZUSL-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282442583 1325722547 /nfs/dbraw/zinc/72/25/47/1325722547.db2.gz CDTRPKCGRSZUSL-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP CCCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282783171 1325785716 /nfs/dbraw/zinc/78/57/16/1325785716.db2.gz XSPOFJZUWZKMQH-LJQANCHMSA-N 2 1 339.524 2.212 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284065215 1326388921 /nfs/dbraw/zinc/38/89/21/1326388921.db2.gz BDBTYANEPQJVQZ-QUCCMNQESA-N 2 1 349.519 2.178 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284065215 1326388924 /nfs/dbraw/zinc/38/89/24/1326388924.db2.gz BDBTYANEPQJVQZ-QUCCMNQESA-N 2 1 349.519 2.178 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C(F)(F)F ZINC001284738031 1326689998 /nfs/dbraw/zinc/68/99/98/1326689998.db2.gz QUYIMXKTGPBEJG-KGLIPLIRSA-N 2 1 344.381 2.137 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031326 1330455881 /nfs/dbraw/zinc/45/58/81/1330455881.db2.gz KHUKGBWSEIYQAH-QUCCMNQESA-N 2 1 341.499 2.397 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001316825732 1331916158 /nfs/dbraw/zinc/91/61/58/1331916158.db2.gz UTFZXPMJHLBDQO-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001316825732 1331916160 /nfs/dbraw/zinc/91/61/60/1331916160.db2.gz UTFZXPMJHLBDQO-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001316825732 1331916164 /nfs/dbraw/zinc/91/61/64/1331916164.db2.gz UTFZXPMJHLBDQO-KRWDZBQOSA-N 2 1 348.516 2.431 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840995 1332427695 /nfs/dbraw/zinc/42/76/95/1332427695.db2.gz YPGSIFUKURXHCH-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317840995 1332427696 /nfs/dbraw/zinc/42/76/96/1332427696.db2.gz YPGSIFUKURXHCH-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317840995 1332427697 /nfs/dbraw/zinc/42/76/97/1332427697.db2.gz YPGSIFUKURXHCH-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317851801 1332431346 /nfs/dbraw/zinc/43/13/46/1332431346.db2.gz ASJALNOVPHNQJV-GOSISDBHSA-N 2 1 327.472 2.165 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CC)C2)CC1 ZINC001317994725 1332459642 /nfs/dbraw/zinc/45/96/42/1332459642.db2.gz WPKWSYJSZVRQQY-UEKDZROGSA-N 2 1 331.504 2.269 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247606 1332670670 /nfs/dbraw/zinc/67/06/70/1332670670.db2.gz XWONVYWMLRLKHO-GOSISDBHSA-N 2 1 343.515 2.358 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320110082 1332829007 /nfs/dbraw/zinc/82/90/07/1332829007.db2.gz FEPSAJJMYXZCQC-CVEARBPZSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001323704594 1333520676 /nfs/dbraw/zinc/52/06/76/1333520676.db2.gz FQJRJODCUCAAKZ-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960928 1333797066 /nfs/dbraw/zinc/79/70/66/1333797066.db2.gz LBIHNAQDKSFRMK-UYAOXDASSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324960928 1333797068 /nfs/dbraw/zinc/79/70/68/1333797068.db2.gz LBIHNAQDKSFRMK-UYAOXDASSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001324960928 1333797071 /nfs/dbraw/zinc/79/70/71/1333797071.db2.gz LBIHNAQDKSFRMK-UYAOXDASSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001326494645 1334104288 /nfs/dbraw/zinc/10/42/88/1334104288.db2.gz OCOHMWDBWXPXRX-LJQANCHMSA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001326494645 1334104293 /nfs/dbraw/zinc/10/42/93/1334104293.db2.gz OCOHMWDBWXPXRX-LJQANCHMSA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001326494645 1334104297 /nfs/dbraw/zinc/10/42/97/1334104297.db2.gz OCOHMWDBWXPXRX-LJQANCHMSA-N 2 1 345.487 2.031 10 30 EEEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001326494645 1334104299 /nfs/dbraw/zinc/10/42/99/1334104299.db2.gz OCOHMWDBWXPXRX-LJQANCHMSA-N 2 1 345.487 2.031 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001326540538 1334111778 /nfs/dbraw/zinc/11/17/78/1334111778.db2.gz BZOIHOYBNGEJJQ-FHWLQOOXSA-N 2 1 333.520 2.396 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001327079529 1334216701 /nfs/dbraw/zinc/21/67/01/1334216701.db2.gz IKQRZKZNOJGSSX-RTBURBONSA-N 2 1 345.487 2.073 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142715 1334232347 /nfs/dbraw/zinc/23/23/47/1334232347.db2.gz KDKKEZZNARISJJ-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592007 1334680578 /nfs/dbraw/zinc/68/05/78/1334680578.db2.gz JZUSQFVGBYFVGT-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592007 1334680584 /nfs/dbraw/zinc/68/05/84/1334680584.db2.gz JZUSQFVGBYFVGT-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378825 1335813190 /nfs/dbraw/zinc/81/31/90/1335813190.db2.gz DPRQFBHMSIBCII-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001333473289 1336055338 /nfs/dbraw/zinc/05/53/38/1336055338.db2.gz MSFPTLZDQJOFKX-SFHVURJKSA-N 2 1 345.462 2.287 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502532341 1342203822 /nfs/dbraw/zinc/20/38/22/1342203822.db2.gz OLBZDOJHQNRXDK-WOJBJXKFSA-N 2 1 341.499 2.139 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502532341 1342203826 /nfs/dbraw/zinc/20/38/26/1342203826.db2.gz OLBZDOJHQNRXDK-WOJBJXKFSA-N 2 1 341.499 2.139 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001567698906 1342814881 /nfs/dbraw/zinc/81/48/81/1342814881.db2.gz ANKVDBJIBOCFSI-DLBZAZTESA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001567698906 1342814885 /nfs/dbraw/zinc/81/48/85/1342814885.db2.gz ANKVDBJIBOCFSI-DLBZAZTESA-N 2 1 330.476 2.248 10 30 EEEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001569451783 1342872489 /nfs/dbraw/zinc/87/24/89/1342872489.db2.gz HHXOJMMJJRTZMI-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001569451783 1342872493 /nfs/dbraw/zinc/87/24/93/1342872493.db2.gz HHXOJMMJJRTZMI-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640342 1342914135 /nfs/dbraw/zinc/91/41/35/1342914135.db2.gz CJZBBEGJTIJDBR-NRFANRHFSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640342 1342914137 /nfs/dbraw/zinc/91/41/37/1342914137.db2.gz CJZBBEGJTIJDBR-NRFANRHFSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640342 1342914140 /nfs/dbraw/zinc/91/41/40/1342914140.db2.gz CJZBBEGJTIJDBR-NRFANRHFSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001569640342 1342914143 /nfs/dbraw/zinc/91/41/43/1342914143.db2.gz CJZBBEGJTIJDBR-NRFANRHFSA-N 2 1 339.483 2.103 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001649462171 1353518748 /nfs/dbraw/zinc/51/87/48/1353518748.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462171 1353518751 /nfs/dbraw/zinc/51/87/51/1353518751.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462171 1353518755 /nfs/dbraw/zinc/51/87/55/1353518755.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1=CCCCC1 ZINC001660542081 1354485772 /nfs/dbraw/zinc/48/57/72/1354485772.db2.gz OXXIZHYKHLQQMA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC1=CCCCC1 ZINC001660542081 1354485774 /nfs/dbraw/zinc/48/57/74/1354485774.db2.gz OXXIZHYKHLQQMA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1=CCCCC1 ZINC001660542081 1354485775 /nfs/dbraw/zinc/48/57/75/1354485775.db2.gz OXXIZHYKHLQQMA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1=CCCCC1 ZINC001660542081 1354485777 /nfs/dbraw/zinc/48/57/77/1354485777.db2.gz OXXIZHYKHLQQMA-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001663524223 1354979943 /nfs/dbraw/zinc/97/99/43/1354979943.db2.gz VTWWDBGHKWHDKD-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001663524223 1354979944 /nfs/dbraw/zinc/97/99/44/1354979944.db2.gz VTWWDBGHKWHDKD-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001664684018 1355211329 /nfs/dbraw/zinc/21/13/29/1355211329.db2.gz VTCFYRZTWMDQNO-SFHVURJKSA-N 2 1 330.476 2.308 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001664684018 1355211335 /nfs/dbraw/zinc/21/13/35/1355211335.db2.gz VTCFYRZTWMDQNO-SFHVURJKSA-N 2 1 330.476 2.308 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836104 1355239574 /nfs/dbraw/zinc/23/95/74/1355239574.db2.gz PGZAJMHBRYCGCN-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001664836104 1355239579 /nfs/dbraw/zinc/23/95/79/1355239579.db2.gz PGZAJMHBRYCGCN-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001666825599 1355597861 /nfs/dbraw/zinc/59/78/61/1355597861.db2.gz LQWPCXXLUVQVTN-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001666825599 1355597865 /nfs/dbraw/zinc/59/78/65/1355597865.db2.gz LQWPCXXLUVQVTN-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897614 1355611413 /nfs/dbraw/zinc/61/14/13/1355611413.db2.gz HBUHPIYIRYIPQO-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001673617372 1356718000 /nfs/dbraw/zinc/71/80/00/1356718000.db2.gz DSQQAMJTBDXJBX-ROUUACIJSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674034448 1356780508 /nfs/dbraw/zinc/78/05/08/1356780508.db2.gz UNVBLUQOPDOJCQ-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001699762193 1405472060 /nfs/dbraw/zinc/47/20/60/1405472060.db2.gz NSRSGGNUFKPHBM-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001699827150 1405512614 /nfs/dbraw/zinc/51/26/14/1405512614.db2.gz VEZRBCZXNZFPFM-HXUWFJFHSA-N 2 1 345.487 2.145 10 30 EEEEMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925782792 775764734 /nfs/dbraw/zinc/76/47/34/775764734.db2.gz MRRLHXHUPKMPPO-KRWDZBQOSA-N 2 1 348.441 2.357 10 30 EEEEMP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032282 790849485 /nfs/dbraw/zinc/84/94/85/790849485.db2.gz SLSNMVWZHDOIPB-NSHGMRRFSA-N 2 1 339.483 2.111 10 30 EEEEMP C#C[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000847032282 790849501 /nfs/dbraw/zinc/84/95/01/790849501.db2.gz SLSNMVWZHDOIPB-NSHGMRRFSA-N 2 1 339.483 2.111 10 30 EEEEMP CC[N@@H+](C)C[C@H]1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493722 791861854 /nfs/dbraw/zinc/86/18/54/791861854.db2.gz DOURMFBOZILURM-QGZVFWFLSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[N@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493722 791861858 /nfs/dbraw/zinc/86/18/58/791861858.db2.gz DOURMFBOZILURM-QGZVFWFLSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493722 791861862 /nfs/dbraw/zinc/86/18/62/791861862.db2.gz DOURMFBOZILURM-QGZVFWFLSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[NH+](C)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493722 791861866 /nfs/dbraw/zinc/86/18/66/791861866.db2.gz DOURMFBOZILURM-QGZVFWFLSA-N 2 1 338.459 2.356 10 30 EEEEMP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173493722 791861870 /nfs/dbraw/zinc/86/18/70/791861870.db2.gz DOURMFBOZILURM-QGZVFWFLSA-N 2 1 338.459 2.356 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000921959367 798387784 /nfs/dbraw/zinc/38/77/84/798387784.db2.gz WMRSZUFZNWMIBO-IBGZPJMESA-N 2 1 342.487 2.417 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321079 1089482223 /nfs/dbraw/zinc/48/22/23/1089482223.db2.gz IZGNOQUESIXUCL-OALUTQOASA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445572283 1091351486 /nfs/dbraw/zinc/35/14/86/1091351486.db2.gz OJXXFFNXWVZHBS-QFBILLFUSA-N 2 1 342.487 2.273 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001449023968 1094030156 /nfs/dbraw/zinc/03/01/56/1094030156.db2.gz AVXOIXMXWBOYKZ-OWCLPIDISA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001449053562 1094069368 /nfs/dbraw/zinc/06/93/68/1094069368.db2.gz YCTJAOHVZNGMLE-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001449053562 1094069373 /nfs/dbraw/zinc/06/93/73/1094069373.db2.gz YCTJAOHVZNGMLE-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479688834 1098749753 /nfs/dbraw/zinc/74/97/53/1098749753.db2.gz MOVJFFCKALUJLJ-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480237844 1099867200 /nfs/dbraw/zinc/86/72/00/1099867200.db2.gz KTUJOLVGEMBPHF-HDICACEKSA-N 2 1 347.890 2.269 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496297253 1100884107 /nfs/dbraw/zinc/88/41/07/1100884107.db2.gz UATFXEHACXJFGL-MOPGFXCFSA-N 2 1 342.487 2.130 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001494021141 1103366084 /nfs/dbraw/zinc/36/60/84/1103366084.db2.gz KLQUIHNLMUIIEH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001494021141 1103366087 /nfs/dbraw/zinc/36/60/87/1103366087.db2.gz KLQUIHNLMUIIEH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001494021141 1103366090 /nfs/dbraw/zinc/36/60/90/1103366090.db2.gz KLQUIHNLMUIIEH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001494021141 1103366096 /nfs/dbraw/zinc/36/60/96/1103366096.db2.gz KLQUIHNLMUIIEH-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494148838 1103605618 /nfs/dbraw/zinc/60/56/18/1103605618.db2.gz GPGNXDGMVISCNF-HNNXBMFYSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001494215122 1103711632 /nfs/dbraw/zinc/71/16/32/1103711632.db2.gz XKGVIMLXWZJENL-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1Cl ZINC001498054623 1106849631 /nfs/dbraw/zinc/84/96/31/1106849631.db2.gz BCDSFNATWPOSFQ-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1Cl ZINC001498054623 1106849648 /nfs/dbraw/zinc/84/96/48/1106849648.db2.gz BCDSFNATWPOSFQ-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001493377136 1108024479 /nfs/dbraw/zinc/02/44/79/1108024479.db2.gz MFEZRZNXEDSDOR-SFHVURJKSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001493377136 1108024495 /nfs/dbraw/zinc/02/44/95/1108024495.db2.gz MFEZRZNXEDSDOR-SFHVURJKSA-N 2 1 331.504 2.101 10 30 EEEEMP 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C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001482289562 1185104021 /nfs/dbraw/zinc/10/40/21/1185104021.db2.gz UPWWJLUXTNHPKD-RHSMWYFYSA-N 2 1 333.480 2.193 10 30 EEEEMP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397631 1185607033 /nfs/dbraw/zinc/60/70/33/1185607033.db2.gz BVSVYYINRALYLA-VQTJNVASSA-N 2 1 341.499 2.110 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691517089 1185620243 /nfs/dbraw/zinc/62/02/43/1185620243.db2.gz BZNNTBCUZSGRBP-ZHALLVOQSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001270997047 1185796445 /nfs/dbraw/zinc/79/64/45/1185796445.db2.gz ZNGIVFBIQFWKGL-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001270997047 1185796449 /nfs/dbraw/zinc/79/64/49/1185796449.db2.gz ZNGIVFBIQFWKGL-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825005 1193464474 /nfs/dbraw/zinc/46/44/74/1193464474.db2.gz WWTRGXXNYCIHEU-MOPGFXCFSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001482841911 1187760916 /nfs/dbraw/zinc/76/09/16/1187760916.db2.gz QDJRAFPVVYJXOM-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001482841911 1187760920 /nfs/dbraw/zinc/76/09/20/1187760920.db2.gz QDJRAFPVVYJXOM-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001483019446 1188006798 /nfs/dbraw/zinc/00/67/98/1188006798.db2.gz JUOJTQHXOGBCNC-XHHZUUQWSA-N 2 1 337.467 2.034 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001483019446 1188006802 /nfs/dbraw/zinc/00/68/02/1188006802.db2.gz JUOJTQHXOGBCNC-XHHZUUQWSA-N 2 1 337.467 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483948453 1191127744 /nfs/dbraw/zinc/12/77/44/1191127744.db2.gz VUCWYBHWDZQUHG-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483967978 1191135616 /nfs/dbraw/zinc/13/56/16/1191135616.db2.gz RGCAWLIHJQIPHO-QZTJIDSGSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001483987921 1191143516 /nfs/dbraw/zinc/14/35/16/1191143516.db2.gz IYWOVLYOEOUIRX-UHFFFAOYSA-N 2 1 330.476 2.341 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173845 1191253484 /nfs/dbraw/zinc/25/34/84/1191253484.db2.gz IGPUKBOZIKGVSP-FQEVSTJZSA-N 2 1 333.520 2.494 10 30 EEEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001484410736 1191338137 /nfs/dbraw/zinc/33/81/37/1191338137.db2.gz MCVSJVVQDCQRCK-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001484410736 1191338138 /nfs/dbraw/zinc/33/81/38/1191338138.db2.gz MCVSJVVQDCQRCK-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001484410736 1191338139 /nfs/dbraw/zinc/33/81/39/1191338139.db2.gz MCVSJVVQDCQRCK-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CC(C)(C)C1 ZINC001484745428 1191496368 /nfs/dbraw/zinc/49/63/68/1191496368.db2.gz FXRLIWFEGUJXIC-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001484745428 1191496369 /nfs/dbraw/zinc/49/63/69/1191496369.db2.gz FXRLIWFEGUJXIC-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)(C)C1 ZINC001484745428 1191496371 /nfs/dbraw/zinc/49/63/71/1191496371.db2.gz FXRLIWFEGUJXIC-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)(C)C1 ZINC001484745428 1191496373 /nfs/dbraw/zinc/49/63/73/1191496373.db2.gz FXRLIWFEGUJXIC-SFHVURJKSA-N 2 1 333.520 2.301 10 30 EEEEMP CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001484770752 1191513524 /nfs/dbraw/zinc/51/35/24/1191513524.db2.gz JPMOYXXZHVGJPC-BGYRXZFFSA-N 2 1 345.531 2.441 10 30 EEEEMP CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001484770752 1191513526 /nfs/dbraw/zinc/51/35/26/1191513526.db2.gz JPMOYXXZHVGJPC-BGYRXZFFSA-N 2 1 345.531 2.441 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001485037569 1191627200 /nfs/dbraw/zinc/62/72/00/1191627200.db2.gz KGDFXSQQYVWPDE-YJBOKZPZSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001485037569 1191627201 /nfs/dbraw/zinc/62/72/01/1191627201.db2.gz KGDFXSQQYVWPDE-YJBOKZPZSA-N 2 1 345.491 2.337 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229894 1191699053 /nfs/dbraw/zinc/69/90/53/1191699053.db2.gz NMEMDEUPDAOCEN-KBPBESRZSA-N 2 1 334.439 2.020 10 30 EEEEMP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001485453800 1191790905 /nfs/dbraw/zinc/79/09/05/1191790905.db2.gz HTAHDOPFRUTXIA-KRWDZBQOSA-N 2 1 337.508 2.082 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001691680770 1197485091 /nfs/dbraw/zinc/48/50/91/1197485091.db2.gz HIBIRNKVYFAGBE-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001691680770 1197485095 /nfs/dbraw/zinc/48/50/95/1197485095.db2.gz HIBIRNKVYFAGBE-RBUKOAKNSA-N 2 1 327.472 2.016 10 30 EEEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726698 1241733828 /nfs/dbraw/zinc/73/38/28/1241733828.db2.gz NEOXBPMHCOOYHC-ZWKOTPCHSA-N 2 1 331.416 2.351 10 30 EEEEMP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CCF)CC1 ZINC001278194740 1306247170 /nfs/dbraw/zinc/24/71/70/1306247170.db2.gz SUJNMWCGEALUEE-UHFFFAOYSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC(C)C)CC1 ZINC001264381211 1322685136 /nfs/dbraw/zinc/68/51/36/1322685136.db2.gz ZDXVEOVEXINCBI-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082919 1323639626 /nfs/dbraw/zinc/63/96/26/1323639626.db2.gz QIMNLUHOWYRJDT-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082919 1323639636 /nfs/dbraw/zinc/63/96/36/1323639636.db2.gz QIMNLUHOWYRJDT-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588108 /nfs/dbraw/zinc/58/81/08/1324588108.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 2 1 341.499 2.135 10 30 EEEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588114 /nfs/dbraw/zinc/58/81/14/1324588114.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 2 1 341.499 2.135 10 30 EEEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588117 /nfs/dbraw/zinc/58/81/17/1324588117.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 2 1 341.499 2.135 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001276603453 1324735662 /nfs/dbraw/zinc/73/56/62/1324735662.db2.gz OIWPLVZHIJOINI-OALUTQOASA-N 2 1 329.488 2.069 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001276603453 1324735665 /nfs/dbraw/zinc/73/56/65/1324735665.db2.gz OIWPLVZHIJOINI-OALUTQOASA-N 2 1 329.488 2.069 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001283091406 1325915851 /nfs/dbraw/zinc/91/58/51/1325915851.db2.gz FQPPESBZWJJZOC-JCNLHEQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001283145345 1325933910 /nfs/dbraw/zinc/93/39/10/1325933910.db2.gz DZFAKEIRYXYDRG-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491896886 1330294426 /nfs/dbraw/zinc/29/44/26/1330294426.db2.gz QKBMGKUYHKVIMP-RBUKOAKNSA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491896886 1330294428 /nfs/dbraw/zinc/29/44/28/1330294428.db2.gz QKBMGKUYHKVIMP-RBUKOAKNSA-N 2 1 327.472 2.159 10 30 EEEEMP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316720485 1331835985 /nfs/dbraw/zinc/83/59/85/1331835985.db2.gz DIAGDTITTDFGGN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316720485 1331835997 /nfs/dbraw/zinc/83/59/97/1331835997.db2.gz DIAGDTITTDFGGN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316720485 1331836001 /nfs/dbraw/zinc/83/60/01/1331836001.db2.gz DIAGDTITTDFGGN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316720485 1331836003 /nfs/dbraw/zinc/83/60/03/1331836003.db2.gz DIAGDTITTDFGGN-WOJBJXKFSA-N 2 1 341.499 2.326 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317431629 1332235555 /nfs/dbraw/zinc/23/55/55/1332235555.db2.gz KYNWAWPGWUMDTR-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317431629 1332235556 /nfs/dbraw/zinc/23/55/56/1332235556.db2.gz KYNWAWPGWUMDTR-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001318834378 1332607171 /nfs/dbraw/zinc/60/71/71/1332607171.db2.gz CLRZMTLPQAWERW-QGZVFWFLSA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319776562 1332765314 /nfs/dbraw/zinc/76/53/14/1332765314.db2.gz BDSKNJPAVVMLAX-QGZVFWFLSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001325703042 1333943986 /nfs/dbraw/zinc/94/39/86/1333943986.db2.gz VRBZXSFYTQWTOW-PMACEKPBSA-N 2 1 339.483 2.255 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001327671119 1334331067 /nfs/dbraw/zinc/33/10/67/1334331067.db2.gz GYOCMDMEQOKIIV-CALCHBBNSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001331288445 1334990792 /nfs/dbraw/zinc/99/07/92/1334990792.db2.gz IIIDBQCYIFVNHX-RBUKOAKNSA-N 2 1 345.531 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001331288445 1334990795 /nfs/dbraw/zinc/99/07/95/1334990795.db2.gz IIIDBQCYIFVNHX-RBUKOAKNSA-N 2 1 345.531 2.347 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108520 1335730921 /nfs/dbraw/zinc/73/09/21/1335730921.db2.gz BSEROYZBCRAMNE-FPOVZHCZSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108520 1335730926 /nfs/dbraw/zinc/73/09/26/1335730926.db2.gz BSEROYZBCRAMNE-FPOVZHCZSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108520 1335730928 /nfs/dbraw/zinc/73/09/28/1335730928.db2.gz BSEROYZBCRAMNE-FPOVZHCZSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCc3ccccc3)CCC[C@H]12 ZINC001332108520 1335730930 /nfs/dbraw/zinc/73/09/30/1335730930.db2.gz BSEROYZBCRAMNE-FPOVZHCZSA-N 2 1 341.499 2.460 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021429 1335949313 /nfs/dbraw/zinc/94/93/13/1335949313.db2.gz OWCFVDLFKBRMKI-GJZGRUSLSA-N 2 1 347.425 2.416 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668214025 1355900731 /nfs/dbraw/zinc/90/07/31/1355900731.db2.gz HOKMSDPXIZKMHY-DLBZAZTESA-N 2 1 345.462 2.003 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001566869738 1342642651 /nfs/dbraw/zinc/64/26/51/1342642651.db2.gz PMBGVEHQQXOTBK-ROUUACIJSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001566869738 1342642656 /nfs/dbraw/zinc/64/26/56/1342642656.db2.gz PMBGVEHQQXOTBK-ROUUACIJSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001566869738 1342642658 /nfs/dbraw/zinc/64/26/58/1342642658.db2.gz PMBGVEHQQXOTBK-ROUUACIJSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001566869738 1342642662 /nfs/dbraw/zinc/64/26/62/1342642662.db2.gz PMBGVEHQQXOTBK-ROUUACIJSA-N 2 1 339.524 2.116 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967802 1342668879 /nfs/dbraw/zinc/66/88/79/1342668879.db2.gz WFZBBLDLDCEVFC-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967802 1342668882 /nfs/dbraw/zinc/66/88/82/1342668882.db2.gz WFZBBLDLDCEVFC-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566967802 1342668883 /nfs/dbraw/zinc/66/88/83/1342668883.db2.gz WFZBBLDLDCEVFC-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566967802 1342668886 /nfs/dbraw/zinc/66/88/86/1342668886.db2.gz WFZBBLDLDCEVFC-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CCCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001567726773 1342824942 /nfs/dbraw/zinc/82/49/42/1342824942.db2.gz VTRGXXDWLKLVPY-ZWKOTPCHSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001567726773 1342824944 /nfs/dbraw/zinc/82/49/44/1342824944.db2.gz VTRGXXDWLKLVPY-ZWKOTPCHSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001567726773 1342824948 /nfs/dbraw/zinc/82/49/48/1342824948.db2.gz VTRGXXDWLKLVPY-ZWKOTPCHSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001567726773 1342824952 /nfs/dbraw/zinc/82/49/52/1342824952.db2.gz VTRGXXDWLKLVPY-ZWKOTPCHSA-N 2 1 339.524 2.068 10 30 EEEEMP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001570860463 1343124304 /nfs/dbraw/zinc/12/43/04/1343124304.db2.gz UMOUPNNBOKDHKR-AWEZNQCLSA-N 2 1 348.516 2.288 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001571307478 1343176907 /nfs/dbraw/zinc/17/69/07/1343176907.db2.gz DBCUOWWCRBXSBL-CABCVRRESA-N 2 1 348.516 2.336 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](Cc1ccccc1)C1CC1 ZINC001660690689 1354517475 /nfs/dbraw/zinc/51/74/75/1354517475.db2.gz AYOLOCSKOQOOMQ-FQEVSTJZSA-N 2 1 339.483 2.255 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001660690689 1354517479 /nfs/dbraw/zinc/51/74/79/1354517479.db2.gz AYOLOCSKOQOOMQ-FQEVSTJZSA-N 2 1 339.483 2.255 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001660690689 1354517482 /nfs/dbraw/zinc/51/74/82/1354517482.db2.gz AYOLOCSKOQOOMQ-FQEVSTJZSA-N 2 1 339.483 2.255 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001660690689 1354517486 /nfs/dbraw/zinc/51/74/86/1354517486.db2.gz AYOLOCSKOQOOMQ-FQEVSTJZSA-N 2 1 339.483 2.255 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001661034579 1354577055 /nfs/dbraw/zinc/57/70/55/1354577055.db2.gz IOHXHMHOSUAXLB-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001661034579 1354577057 /nfs/dbraw/zinc/57/70/57/1354577057.db2.gz IOHXHMHOSUAXLB-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001662676140 1354824928 /nfs/dbraw/zinc/82/49/28/1354824928.db2.gz YQSRFNJQBONLTN-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001662827263 1354856413 /nfs/dbraw/zinc/85/64/13/1354856413.db2.gz CCAMGXCJVVZACB-MSOLQXFVSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001662827263 1354856417 /nfs/dbraw/zinc/85/64/17/1354856417.db2.gz CCAMGXCJVVZACB-MSOLQXFVSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001662827263 1354856422 /nfs/dbraw/zinc/85/64/22/1354856422.db2.gz CCAMGXCJVVZACB-MSOLQXFVSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001662827263 1354856426 /nfs/dbraw/zinc/85/64/26/1354856426.db2.gz CCAMGXCJVVZACB-MSOLQXFVSA-N 2 1 339.524 2.210 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC2CCCC2)C2CC2)CC1 ZINC001663776968 1355030201 /nfs/dbraw/zinc/03/02/01/1355030201.db2.gz BSALOQWZADTYBG-UHFFFAOYSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCCC)C2)CC1 ZINC001699015487 1405229020 /nfs/dbraw/zinc/22/90/20/1405229020.db2.gz KFORWYUEXWYONC-WOJBJXKFSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971844 779595248 /nfs/dbraw/zinc/59/52/48/779595248.db2.gz DPEVNCKCHVORNV-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971844 779595252 /nfs/dbraw/zinc/59/52/52/779595252.db2.gz DPEVNCKCHVORNV-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971844 779595255 /nfs/dbraw/zinc/59/52/55/779595255.db2.gz DPEVNCKCHVORNV-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074690 779793630 /nfs/dbraw/zinc/79/36/30/779793630.db2.gz FFLYLHJIQJPQGE-MSOLQXFVSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941074690 779793635 /nfs/dbraw/zinc/79/36/35/779793635.db2.gz FFLYLHJIQJPQGE-MSOLQXFVSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941074690 779793643 /nfs/dbraw/zinc/79/36/43/779793643.db2.gz FFLYLHJIQJPQGE-MSOLQXFVSA-N 2 1 333.520 2.489 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445660121 1091448512 /nfs/dbraw/zinc/44/85/12/1091448512.db2.gz VWLMMWYMIPUPID-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846895 1091485849 /nfs/dbraw/zinc/48/58/49/1091485849.db2.gz HQBICNWOQWYNGS-MRXNPFEDSA-N 2 1 336.505 2.190 10 30 EEEEMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001445759325 1091604501 /nfs/dbraw/zinc/60/45/01/1091604501.db2.gz VYYGRISGSXYZKZ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001445759325 1091604506 /nfs/dbraw/zinc/60/45/06/1091604506.db2.gz VYYGRISGSXYZKZ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445759325 1091604513 /nfs/dbraw/zinc/60/45/13/1091604513.db2.gz VYYGRISGSXYZKZ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445759325 1091604520 /nfs/dbraw/zinc/60/45/20/1091604520.db2.gz VYYGRISGSXYZKZ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001439328004 1092008690 /nfs/dbraw/zinc/00/86/90/1092008690.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001439328004 1092008701 /nfs/dbraw/zinc/00/87/01/1092008701.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001439328004 1092008719 /nfs/dbraw/zinc/00/87/19/1092008719.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001439328004 1092008726 /nfs/dbraw/zinc/00/87/26/1092008726.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001439328004 1092008737 /nfs/dbraw/zinc/00/87/37/1092008737.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 1 348.516 2.287 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796688 1094038651 /nfs/dbraw/zinc/03/86/51/1094038651.db2.gz KZCPZVOOYMYEPA-CHWSQXEVSA-N 2 1 334.489 2.087 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925024 1096110150 /nfs/dbraw/zinc/11/01/50/1096110150.db2.gz AWTQEVQSSIKOKC-MRXNPFEDSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001495683857 1101433107 /nfs/dbraw/zinc/43/31/07/1101433107.db2.gz SJULYKOIGPQKRB-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001495683857 1101433113 /nfs/dbraw/zinc/43/31/13/1101433113.db2.gz SJULYKOIGPQKRB-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001497829830 1103162672 /nfs/dbraw/zinc/16/26/72/1103162672.db2.gz KHGQNJYWTNLOJM-HSBQTJJHSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001497829830 1103162680 /nfs/dbraw/zinc/16/26/80/1103162680.db2.gz KHGQNJYWTNLOJM-HSBQTJJHSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001494862004 1104466194 /nfs/dbraw/zinc/46/61/94/1104466194.db2.gz GOBURQHMCKSMAD-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001494862004 1104466197 /nfs/dbraw/zinc/46/61/97/1104466197.db2.gz GOBURQHMCKSMAD-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862004 1104466200 /nfs/dbraw/zinc/46/62/00/1104466200.db2.gz GOBURQHMCKSMAD-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494862004 1104466206 /nfs/dbraw/zinc/46/62/06/1104466206.db2.gz GOBURQHMCKSMAD-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984684 1104629471 /nfs/dbraw/zinc/62/94/71/1104629471.db2.gz JYBNTQBZVBKDJI-MOPGFXCFSA-N 2 1 342.487 2.415 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493599678 1108382807 /nfs/dbraw/zinc/38/28/07/1108382807.db2.gz GMKRUFJCVZHSTJ-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001500406622 1112808859 /nfs/dbraw/zinc/80/88/59/1112808859.db2.gz QFRRKOLHEZHLFN-AZUAARDMSA-N 2 1 327.472 2.141 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001502058644 1113572745 /nfs/dbraw/zinc/57/27/45/1113572745.db2.gz VZWQBUSQMVREPY-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406770 1113671691 /nfs/dbraw/zinc/67/16/91/1113671691.db2.gz SDYRJVAGMCFMMW-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001502805319 1113805715 /nfs/dbraw/zinc/80/57/15/1113805715.db2.gz CMUYTAJSKMUQNB-UHFFFAOYSA-N 2 1 348.516 2.432 10 30 EEEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001507382935 1115241410 /nfs/dbraw/zinc/24/14/10/1115241410.db2.gz MAVBYFLWFGWVHU-HKUYNNGSSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001507382935 1115241412 /nfs/dbraw/zinc/24/14/12/1115241412.db2.gz MAVBYFLWFGWVHU-HKUYNNGSSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507382935 1115241414 /nfs/dbraw/zinc/24/14/14/1115241414.db2.gz MAVBYFLWFGWVHU-HKUYNNGSSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507382935 1115241416 /nfs/dbraw/zinc/24/14/16/1115241416.db2.gz MAVBYFLWFGWVHU-HKUYNNGSSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001507456151 1115280299 /nfs/dbraw/zinc/28/02/99/1115280299.db2.gz GXMAODMZEPXLLG-KBPBESRZSA-N 2 1 335.414 2.131 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568741886 1124755253 /nfs/dbraw/zinc/75/52/53/1124755253.db2.gz IEROAXXMGFSPKW-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP COc1cc(C#N)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179659045 533494956 /nfs/dbraw/zinc/49/49/56/533494956.db2.gz YOWCMPTZMYYGGH-HNNXBMFYSA-N 2 1 331.460 2.091 10 30 EEEEMP CCOC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882808 465272395 /nfs/dbraw/zinc/27/23/95/465272395.db2.gz MWVSKJQFHBEIJQ-PMACEKPBSA-N 2 1 336.520 2.487 10 30 EEEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000071847276 463439925 /nfs/dbraw/zinc/43/99/25/463439925.db2.gz VZYMDNMAAHDMGZ-LBPRGKRZSA-N 2 1 328.819 2.317 10 30 EEEEMP C[NH+](C)CCC[N@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000596426033 469262436 /nfs/dbraw/zinc/26/24/36/469262436.db2.gz ZTGSZCNKAOFAIH-UHFFFAOYSA-N 2 1 345.878 2.477 10 30 EEEEMP C[NH+](C)CCC[N@@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000596426033 469262441 /nfs/dbraw/zinc/26/24/41/469262441.db2.gz ZTGSZCNKAOFAIH-UHFFFAOYSA-N 2 1 345.878 2.477 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574571 469367140 /nfs/dbraw/zinc/36/71/40/469367140.db2.gz BNTQLUAGQDRSEG-ROUUACIJSA-N 2 1 328.460 2.036 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744986 472231231 /nfs/dbraw/zinc/23/12/31/472231231.db2.gz CJECCBZAZSCHTD-AZUAARDMSA-N 2 1 327.472 2.418 10 30 EEEEMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896520697 685011383 /nfs/dbraw/zinc/01/13/83/685011383.db2.gz MKIRIGZHFZSUNF-PMACEKPBSA-N 2 1 339.483 2.283 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001485702789 1191905957 /nfs/dbraw/zinc/90/59/57/1191905957.db2.gz BYLDUMMWBKLQAK-JCNLHEQBSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266550857 1176818846 /nfs/dbraw/zinc/81/88/46/1176818846.db2.gz FKEIAEYERMMSLL-XFHJGTJQSA-N 2 1 331.504 2.126 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001267274031 1178656577 /nfs/dbraw/zinc/65/65/77/1178656577.db2.gz KCROPZDQGDZKBQ-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001267274031 1178656582 /nfs/dbraw/zinc/65/65/82/1178656582.db2.gz KCROPZDQGDZKBQ-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001267372344 1178877592 /nfs/dbraw/zinc/87/75/92/1178877592.db2.gz MQAJCFWUBKTKFO-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc2ccccc21 ZINC001267386357 1178946774 /nfs/dbraw/zinc/94/67/74/1178946774.db2.gz FHVAAPCSBNZOLC-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc2ccccc21 ZINC001267386357 1178946779 /nfs/dbraw/zinc/94/67/79/1178946779.db2.gz FHVAAPCSBNZOLC-NRFANRHFSA-N 2 1 349.478 2.485 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001481252489 1180476736 /nfs/dbraw/zinc/47/67/36/1180476736.db2.gz WYUIDQMOMQWZAI-KRWDZBQOSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001268068854 1181665458 /nfs/dbraw/zinc/66/54/58/1181665458.db2.gz PDICEBYJEWVQRI-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001268068854 1181665460 /nfs/dbraw/zinc/66/54/60/1181665460.db2.gz PDICEBYJEWVQRI-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001269268429 1184120483 /nfs/dbraw/zinc/12/04/83/1184120483.db2.gz LHBJSNSRCZHSIE-SFHVURJKSA-N 2 1 347.890 2.176 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001269268429 1184120490 /nfs/dbraw/zinc/12/04/90/1184120490.db2.gz LHBJSNSRCZHSIE-SFHVURJKSA-N 2 1 347.890 2.176 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001269621561 1184446387 /nfs/dbraw/zinc/44/63/87/1184446387.db2.gz GKBCEGVAWPIDAB-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001269621561 1184446392 /nfs/dbraw/zinc/44/63/92/1184446392.db2.gz GKBCEGVAWPIDAB-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001269621561 1184446394 /nfs/dbraw/zinc/44/63/94/1184446394.db2.gz GKBCEGVAWPIDAB-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001270051542 1184814467 /nfs/dbraw/zinc/81/44/67/1184814467.db2.gz YARZLBPEOSQNAK-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270429732 1185095832 /nfs/dbraw/zinc/09/58/32/1185095832.db2.gz GKSKXDKDBDYMIF-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455268 1185869217 /nfs/dbraw/zinc/86/92/17/1185869217.db2.gz HBNBGCLVKWICMA-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455254 1185869641 /nfs/dbraw/zinc/86/96/41/1185869641.db2.gz HBNBGCLVKWICMA-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271566448 1186317203 /nfs/dbraw/zinc/31/72/03/1186317203.db2.gz OXFXFRPYMOYVGO-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001271777371 1186477045 /nfs/dbraw/zinc/47/70/45/1186477045.db2.gz PNPFMQHVRPXOAM-BZSNNMDCSA-N 2 1 344.503 2.452 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001482650485 1187481724 /nfs/dbraw/zinc/48/17/24/1187481724.db2.gz UGDPZLCKNMXDDR-UHFFFAOYSA-N 2 1 341.499 2.304 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001482650485 1187481727 /nfs/dbraw/zinc/48/17/27/1187481727.db2.gz UGDPZLCKNMXDDR-UHFFFAOYSA-N 2 1 341.499 2.304 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483197270 1189087688 /nfs/dbraw/zinc/08/76/88/1189087688.db2.gz CLDFUSHNPHBOHX-CZUORRHYSA-N 2 1 334.489 2.088 10 30 EEEEMP C#CCC[N@H+]1CCc2c(CNC(=O)C[NH+](C)C3CCC3)cccc2C1 ZINC001272916589 1193602756 /nfs/dbraw/zinc/60/27/56/1193602756.db2.gz CLEMMFOITVDFKD-UHFFFAOYSA-N 2 1 339.483 2.169 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C3CCC3)cccc2C1 ZINC001272916589 1193602758 /nfs/dbraw/zinc/60/27/58/1193602758.db2.gz CLEMMFOITVDFKD-UHFFFAOYSA-N 2 1 339.483 2.169 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568314 1190048265 /nfs/dbraw/zinc/04/82/65/1190048265.db2.gz JRSWIRORQFQWMQ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568314 1190048271 /nfs/dbraw/zinc/04/82/71/1190048271.db2.gz JRSWIRORQFQWMQ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409568314 1190048275 /nfs/dbraw/zinc/04/82/75/1190048275.db2.gz JRSWIRORQFQWMQ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409568314 1190048280 /nfs/dbraw/zinc/04/82/80/1190048280.db2.gz JRSWIRORQFQWMQ-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001485037568 1191626976 /nfs/dbraw/zinc/62/69/76/1191626976.db2.gz KGDFXSQQYVWPDE-MAUKXSAKSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001485037568 1191626978 /nfs/dbraw/zinc/62/69/78/1191626978.db2.gz KGDFXSQQYVWPDE-MAUKXSAKSA-N 2 1 345.491 2.337 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001485455284 1191791690 /nfs/dbraw/zinc/79/16/90/1191791690.db2.gz KDUKFGOSADQBIW-QGZVFWFLSA-N 2 1 342.487 2.186 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC001273987452 1202240592 /nfs/dbraw/zinc/24/05/92/1202240592.db2.gz LYNTYZNQUQXTKP-UHFFFAOYSA-N 2 1 337.508 2.082 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001274096853 1204369167 /nfs/dbraw/zinc/36/91/67/1204369167.db2.gz KDKWSJBSZORBMS-LLHWWHOWSA-N 2 1 343.446 2.016 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001274096853 1204369170 /nfs/dbraw/zinc/36/91/70/1204369170.db2.gz KDKWSJBSZORBMS-LLHWWHOWSA-N 2 1 343.446 2.016 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC/C=C/CC ZINC001275116395 1205260798 /nfs/dbraw/zinc/26/07/98/1205260798.db2.gz XLMRDCFSERIHRM-KAGICYHLSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C/CC ZINC001275116395 1205260799 /nfs/dbraw/zinc/26/07/99/1205260799.db2.gz XLMRDCFSERIHRM-KAGICYHLSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C/CC ZINC001275116395 1205260802 /nfs/dbraw/zinc/26/08/02/1205260802.db2.gz XLMRDCFSERIHRM-KAGICYHLSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC/C=C/CC ZINC001275116395 1205260804 /nfs/dbraw/zinc/26/08/04/1205260804.db2.gz XLMRDCFSERIHRM-KAGICYHLSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001275185167 1205277239 /nfs/dbraw/zinc/27/72/39/1205277239.db2.gz PLJMFBOZXVKHHO-JVPBZIDWSA-N 2 1 343.446 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001275185167 1205277240 /nfs/dbraw/zinc/27/72/40/1205277240.db2.gz PLJMFBOZXVKHHO-JVPBZIDWSA-N 2 1 343.446 2.005 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489347544 1290530364 /nfs/dbraw/zinc/53/03/64/1290530364.db2.gz AJOIFTRYFHXSQK-SJORKVTESA-N 2 1 339.524 2.136 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931316160 1297133649 /nfs/dbraw/zinc/13/36/49/1297133649.db2.gz GWWZDXFOZIXKEU-BGYRXZFFSA-N 2 1 325.456 2.270 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931316160 1297133654 /nfs/dbraw/zinc/13/36/54/1297133654.db2.gz GWWZDXFOZIXKEU-BGYRXZFFSA-N 2 1 325.456 2.270 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931316160 1297133659 /nfs/dbraw/zinc/13/36/59/1297133659.db2.gz GWWZDXFOZIXKEU-BGYRXZFFSA-N 2 1 325.456 2.270 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931316160 1297133667 /nfs/dbraw/zinc/13/36/67/1297133667.db2.gz GWWZDXFOZIXKEU-BGYRXZFFSA-N 2 1 325.456 2.270 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001276404346 1315057910 /nfs/dbraw/zinc/05/79/10/1315057910.db2.gz IEMDGXWJNGLHIN-QGZVFWFLSA-N 2 1 348.516 2.432 10 30 EEEEMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264120714 1322633522 /nfs/dbraw/zinc/63/35/22/1322633522.db2.gz PQZWYQHVKKNVKG-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ccccc1F ZINC001266051146 1323601490 /nfs/dbraw/zinc/60/14/90/1323601490.db2.gz LUGUAXOKGCSCPW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ccccc1F ZINC001266051146 1323601498 /nfs/dbraw/zinc/60/14/98/1323601498.db2.gz LUGUAXOKGCSCPW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccccc1F ZINC001266051146 1323601505 /nfs/dbraw/zinc/60/15/05/1323601505.db2.gz LUGUAXOKGCSCPW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1ccccc1F ZINC001266051146 1323601513 /nfs/dbraw/zinc/60/15/13/1323601513.db2.gz LUGUAXOKGCSCPW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266146119 1323716402 /nfs/dbraw/zinc/71/64/02/1323716402.db2.gz JDCMWIPRAGKIBC-FRQCXROJSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C)cc1C ZINC001282403940 1325710468 /nfs/dbraw/zinc/71/04/68/1325710468.db2.gz ZIZONTRGPMAISB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C)cc1C ZINC001282403940 1325710471 /nfs/dbraw/zinc/71/04/71/1325710471.db2.gz ZIZONTRGPMAISB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC001282403940 1325710475 /nfs/dbraw/zinc/71/04/75/1325710475.db2.gz ZIZONTRGPMAISB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC001282403940 1325710476 /nfs/dbraw/zinc/71/04/76/1325710476.db2.gz ZIZONTRGPMAISB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494805 1325732423 /nfs/dbraw/zinc/73/24/23/1325732423.db2.gz QJHIDWTYHBXQRM-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccccc1Cl ZINC001282494805 1325732424 /nfs/dbraw/zinc/73/24/24/1325732424.db2.gz QJHIDWTYHBXQRM-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282494805 1325732426 /nfs/dbraw/zinc/73/24/26/1325732426.db2.gz QJHIDWTYHBXQRM-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282494805 1325732429 /nfs/dbraw/zinc/73/24/29/1325732429.db2.gz QJHIDWTYHBXQRM-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CCC[N@@H+]1CC=C(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001284993947 1326817112 /nfs/dbraw/zinc/81/71/12/1326817112.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 1 327.472 2.443 10 30 EEEEMP C=CCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001284993947 1326817115 /nfs/dbraw/zinc/81/71/15/1326817115.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 1 327.472 2.443 10 30 EEEEMP C=CCC[NH+]1CC=C(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001284993947 1326817119 /nfs/dbraw/zinc/81/71/19/1326817119.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 1 327.472 2.443 10 30 EEEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001284993947 1326817122 /nfs/dbraw/zinc/81/71/22/1326817122.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 1 327.472 2.443 10 30 EEEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001284993947 1326817125 /nfs/dbraw/zinc/81/71/25/1326817125.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 1 327.472 2.443 10 30 EEEEMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491897231 1330294494 /nfs/dbraw/zinc/29/44/94/1330294494.db2.gz UPROGRPXMNUXHE-OALUTQOASA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491897231 1330294496 /nfs/dbraw/zinc/29/44/96/1330294496.db2.gz UPROGRPXMNUXHE-OALUTQOASA-N 2 1 327.472 2.159 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128391 1330981775 /nfs/dbraw/zinc/98/17/75/1330981775.db2.gz RXTVCOGDNWVYJA-DOTOQJQBSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001317396208 1332213165 /nfs/dbraw/zinc/21/31/65/1332213165.db2.gz MNCXCGCJLBOYAJ-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001317396208 1332213167 /nfs/dbraw/zinc/21/31/67/1332213167.db2.gz MNCXCGCJLBOYAJ-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001317701917 1332379302 /nfs/dbraw/zinc/37/93/02/1332379302.db2.gz KQPPEXQRYYVKLP-UXHICEINSA-N 2 1 341.499 2.182 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001317701917 1332379306 /nfs/dbraw/zinc/37/93/06/1332379306.db2.gz KQPPEXQRYYVKLP-UXHICEINSA-N 2 1 341.499 2.182 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001317701917 1332379309 /nfs/dbraw/zinc/37/93/09/1332379309.db2.gz KQPPEXQRYYVKLP-UXHICEINSA-N 2 1 341.499 2.182 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320550507 1332908337 /nfs/dbraw/zinc/90/83/37/1332908337.db2.gz XOJFSNFHMOYPES-LSDHHAIUSA-N 2 1 346.450 2.024 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001331080050 1334959461 /nfs/dbraw/zinc/95/94/61/1334959461.db2.gz DDWDCCYNPJROGK-UHFFFAOYSA-N 2 1 338.455 2.223 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588300 1342904215 /nfs/dbraw/zinc/90/42/15/1342904215.db2.gz CRTDDLWPBUFTLG-MJGOQNOKSA-N 2 1 349.494 2.289 10 30 EEEEMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001676064172 1357100063 /nfs/dbraw/zinc/10/00/63/1357100063.db2.gz VFSKWFKUFMZYQW-INIZCTEOSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001676064172 1357100067 /nfs/dbraw/zinc/10/00/67/1357100067.db2.gz VFSKWFKUFMZYQW-INIZCTEOSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001570676483 1343100621 /nfs/dbraw/zinc/10/06/21/1343100621.db2.gz AQUCOLKKWYMOLE-ABHNRTSZSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001570676483 1343100632 /nfs/dbraw/zinc/10/06/32/1343100632.db2.gz AQUCOLKKWYMOLE-ABHNRTSZSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001677643255 1357381727 /nfs/dbraw/zinc/38/17/27/1357381727.db2.gz MMKZICFQHGWBOC-SFHVURJKSA-N 2 1 331.435 2.039 10 30 EEEEMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001649439813 1353506355 /nfs/dbraw/zinc/50/63/55/1353506355.db2.gz HZWQZRABNIOSFJ-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656678163 1354263835 /nfs/dbraw/zinc/26/38/35/1354263835.db2.gz WEKIYWRDOZZYRH-GUDVDZBRSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656678163 1354263839 /nfs/dbraw/zinc/26/38/39/1354263839.db2.gz WEKIYWRDOZZYRH-GUDVDZBRSA-N 2 1 345.462 2.073 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001669482466 1356165466 /nfs/dbraw/zinc/16/54/66/1356165466.db2.gz MOMPQLPLUNRTLD-OAHLLOKOSA-N 2 1 335.879 2.126 10 30 EEEEMP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CC[NH+](CC)CC1 ZINC001671477503 1356346405 /nfs/dbraw/zinc/34/64/05/1356346405.db2.gz OQFMGXQJGGZCCO-MRXNPFEDSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCF)CC1 ZINC001671504358 1356352715 /nfs/dbraw/zinc/35/27/15/1356352715.db2.gz YPYSGKWYUPZAIR-SJLPKXTDSA-N 2 1 337.483 2.003 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1 ZINC001671805068 1356417945 /nfs/dbraw/zinc/41/79/45/1356417945.db2.gz LJNAUYBNHKUDMS-NRFANRHFSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674865312 1356904456 /nfs/dbraw/zinc/90/44/56/1356904456.db2.gz JPQODBUZRDLZOC-UHFFFAOYSA-N 2 1 327.432 2.141 10 30 EEEEMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001675692847 1357037386 /nfs/dbraw/zinc/03/73/86/1357037386.db2.gz OADHUJJQXGOBMD-BGYRXZFFSA-N 2 1 342.487 2.165 10 30 EEEEMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001675692847 1357037388 /nfs/dbraw/zinc/03/73/88/1357037388.db2.gz OADHUJJQXGOBMD-BGYRXZFFSA-N 2 1 342.487 2.165 10 30 EEEEMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001698739197 1405038783 /nfs/dbraw/zinc/03/87/83/1405038783.db2.gz RIRHYTBRWREETR-UHFFFAOYSA-N 2 1 331.504 2.200 10 30 EEEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001699689254 1405443337 /nfs/dbraw/zinc/44/33/37/1405443337.db2.gz NFQUWSNMFGZAPC-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001699689254 1405443340 /nfs/dbraw/zinc/44/33/40/1405443340.db2.gz NFQUWSNMFGZAPC-UHFFFAOYSA-N 2 1 330.476 2.471 10 30 EEEEMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699886785 1405552676 /nfs/dbraw/zinc/55/26/76/1405552676.db2.gz HRLPFWGQUFWPOX-HZPDHXFCSA-N 2 1 343.462 2.204 10 30 EEEEMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699886785 1405552679 /nfs/dbraw/zinc/55/26/79/1405552679.db2.gz HRLPFWGQUFWPOX-HZPDHXFCSA-N 2 1 343.462 2.204 10 30 EEEEMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699886784 1405553294 /nfs/dbraw/zinc/55/32/94/1405553294.db2.gz HRLPFWGQUFWPOX-HOTGVXAUSA-N 2 1 343.462 2.204 10 30 EEEEMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699886784 1405553297 /nfs/dbraw/zinc/55/32/97/1405553297.db2.gz HRLPFWGQUFWPOX-HOTGVXAUSA-N 2 1 343.462 2.204 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC1(C)C ZINC000940807148 779317137 /nfs/dbraw/zinc/31/71/37/779317137.db2.gz HXFQCDGAHQOTQF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC1(C)C ZINC000940807148 779317141 /nfs/dbraw/zinc/31/71/41/779317141.db2.gz HXFQCDGAHQOTQF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC000940807148 779317144 /nfs/dbraw/zinc/31/71/44/779317144.db2.gz HXFQCDGAHQOTQF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC000940807148 779317148 /nfs/dbraw/zinc/31/71/48/779317148.db2.gz HXFQCDGAHQOTQF-RBUKOAKNSA-N 2 1 345.531 2.491 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001437011685 1088791450 /nfs/dbraw/zinc/79/14/50/1088791450.db2.gz RGCSYXBTCGQQDK-RBUKOAKNSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001437163589 1089177446 /nfs/dbraw/zinc/17/74/46/1089177446.db2.gz NAXYLGCVDPDIGU-UONOGXRCSA-N 2 1 346.313 2.110 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001446185503 1092260503 /nfs/dbraw/zinc/26/05/03/1092260503.db2.gz WLMJFCZBZAWHFR-GOSISDBHSA-N 2 1 340.471 2.171 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001441341571 1094837660 /nfs/dbraw/zinc/83/76/60/1094837660.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001441341571 1094837674 /nfs/dbraw/zinc/83/76/74/1094837674.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001441341571 1094837689 /nfs/dbraw/zinc/83/76/89/1094837689.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 2 1 327.900 2.297 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441877996 1095999790 /nfs/dbraw/zinc/99/97/90/1095999790.db2.gz RONWNSHMKUYVCN-ICSRJNTNSA-N 2 1 340.471 2.123 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001479489886 1098562520 /nfs/dbraw/zinc/56/25/20/1098562520.db2.gz VOQHWTYCGGWNFY-RBUKOAKNSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479688838 1098749239 /nfs/dbraw/zinc/74/92/39/1098749239.db2.gz MOVJFFCKALUJLJ-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328728 1098893149 /nfs/dbraw/zinc/89/31/49/1098893149.db2.gz PIYKCQIJKQIJPM-QFBILLFUSA-N 2 1 342.487 2.275 10 30 EEEEMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001480098811 1099662925 /nfs/dbraw/zinc/66/29/25/1099662925.db2.gz QZURBUCTZBUZGU-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001480098811 1099662930 /nfs/dbraw/zinc/66/29/30/1099662930.db2.gz QZURBUCTZBUZGU-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001480098811 1099662935 /nfs/dbraw/zinc/66/29/35/1099662935.db2.gz QZURBUCTZBUZGU-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480098811 1099662938 /nfs/dbraw/zinc/66/29/38/1099662938.db2.gz QZURBUCTZBUZGU-KDURUIRLSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001495562415 1101273950 /nfs/dbraw/zinc/27/39/50/1101273950.db2.gz ROVSXRAJZLMNMA-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001495562415 1101273954 /nfs/dbraw/zinc/27/39/54/1101273954.db2.gz ROVSXRAJZLMNMA-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1 ZINC001496718941 1101334251 /nfs/dbraw/zinc/33/42/51/1101334251.db2.gz VAEDTWWMNBFEJU-ACBHZAAOSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001496718941 1101334266 /nfs/dbraw/zinc/33/42/66/1101334266.db2.gz VAEDTWWMNBFEJU-ACBHZAAOSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001496718941 1101334277 /nfs/dbraw/zinc/33/42/77/1101334277.db2.gz VAEDTWWMNBFEJU-ACBHZAAOSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001496718941 1101334286 /nfs/dbraw/zinc/33/42/86/1101334286.db2.gz VAEDTWWMNBFEJU-ACBHZAAOSA-N 2 1 333.520 2.301 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081011 1102023491 /nfs/dbraw/zinc/02/34/91/1102023491.db2.gz KHZUKUPQFXZDHI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903314 1103559681 /nfs/dbraw/zinc/55/96/81/1103559681.db2.gz DMGMOISAAFEWPN-KBPBESRZSA-N 2 1 334.439 2.022 10 30 EEEEMP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001494154964 1103614255 /nfs/dbraw/zinc/61/42/55/1103614255.db2.gz AEFFBVNQHFGIRV-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494167005 1103633602 /nfs/dbraw/zinc/63/36/02/1103633602.db2.gz OIHHZQFFFORBFS-MRXNPFEDSA-N 2 1 339.443 2.237 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494167005 1103633604 /nfs/dbraw/zinc/63/36/04/1103633604.db2.gz OIHHZQFFFORBFS-MRXNPFEDSA-N 2 1 339.443 2.237 10 30 EEEEMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001494673633 1104259744 /nfs/dbraw/zinc/25/97/44/1104259744.db2.gz YMEXMPZBVXILLP-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001494673633 1104259752 /nfs/dbraw/zinc/25/97/52/1104259752.db2.gz YMEXMPZBVXILLP-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001494673633 1104259760 /nfs/dbraw/zinc/25/97/60/1104259760.db2.gz YMEXMPZBVXILLP-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001494673633 1104259767 /nfs/dbraw/zinc/25/97/67/1104259767.db2.gz YMEXMPZBVXILLP-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001500018898 1112581058 /nfs/dbraw/zinc/58/10/58/1112581058.db2.gz QZXXUKNCWGLXPK-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938059 1114987899 /nfs/dbraw/zinc/98/78/99/1114987899.db2.gz JXKKVSCYIOOTDR-IAGOWNOFSA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507161792 1115141931 /nfs/dbraw/zinc/14/19/31/1115141931.db2.gz MPMAEZRLBXVTIT-ZIAGYGMSSA-N 2 1 346.313 2.206 10 30 EEEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001507346609 1115209559 /nfs/dbraw/zinc/20/95/59/1115209559.db2.gz UXKZDKOHSOLEHX-LZLYRXPVSA-N 2 1 325.472 2.356 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001568069413 1124275105 /nfs/dbraw/zinc/27/51/05/1124275105.db2.gz FICMSYPBLSQKIG-SFHVURJKSA-N 2 1 330.476 2.213 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001568130287 1124319550 /nfs/dbraw/zinc/31/95/50/1124319550.db2.gz QZDQNBGKVZPGKU-LJQANCHMSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1C ZINC001568749228 1124763097 /nfs/dbraw/zinc/76/30/97/1124763097.db2.gz XDKSTPLBOMSCGH-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1C ZINC001568749228 1124763101 /nfs/dbraw/zinc/76/31/01/1124763101.db2.gz XDKSTPLBOMSCGH-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C[C@@]1(CCCO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000341908479 465273124 /nfs/dbraw/zinc/27/31/24/465273124.db2.gz DOPLFDNFLZKFQY-PMACEKPBSA-N 2 1 336.520 2.244 10 30 EEEEMP CCC[C@@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@]1(CO)CCC ZINC000515470375 467993684 /nfs/dbraw/zinc/99/36/84/467993684.db2.gz SMNCNQWTMLCCMX-PMACEKPBSA-N 2 1 336.520 2.244 10 30 EEEEMP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)CC1 ZINC000601176208 468771654 /nfs/dbraw/zinc/77/16/54/468771654.db2.gz SIHWFQZXMBKEGB-UHFFFAOYSA-N 2 1 327.476 2.258 10 30 EEEEMP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)CC1 ZINC000601176208 468771657 /nfs/dbraw/zinc/77/16/57/468771657.db2.gz SIHWFQZXMBKEGB-UHFFFAOYSA-N 2 1 327.476 2.258 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000663669287 471466369 /nfs/dbraw/zinc/46/63/69/471466369.db2.gz WFFLKXBIBFNMEC-ZWKOTPCHSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748420 472234336 /nfs/dbraw/zinc/23/43/36/472234336.db2.gz TVORXXXJYANYRX-IMFGXOCKSA-N 2 1 327.472 2.464 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485715387 1191906290 /nfs/dbraw/zinc/90/62/90/1191906290.db2.gz YKSNDLITNWAQFW-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266339552 1176331502 /nfs/dbraw/zinc/33/15/02/1176331502.db2.gz SRIUMSIUKDZLBY-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266339552 1176331519 /nfs/dbraw/zinc/33/15/19/1176331519.db2.gz SRIUMSIUKDZLBY-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001266466492 1176588631 /nfs/dbraw/zinc/58/86/31/1176588631.db2.gz PPJAWZVTEXENBS-HXUWFJFHSA-N 2 1 341.499 2.160 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001266993822 1178052120 /nfs/dbraw/zinc/05/21/20/1178052120.db2.gz GCKQZBLZSOEFDR-OAHLLOKOSA-N 2 1 335.879 2.126 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001267370479 1178872033 /nfs/dbraw/zinc/87/20/33/1178872033.db2.gz QNLFVOKRLKMSMF-SFHVURJKSA-N 2 1 329.488 2.435 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481120044 1179799690 /nfs/dbraw/zinc/79/96/90/1179799690.db2.gz WEMOEXRKRMLAIB-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120044 1179799692 /nfs/dbraw/zinc/79/96/92/1179799692.db2.gz WEMOEXRKRMLAIB-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120044 1179799696 /nfs/dbraw/zinc/79/96/96/1179799696.db2.gz WEMOEXRKRMLAIB-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001481526484 1181646953 /nfs/dbraw/zinc/64/69/53/1181646953.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268191014 1181979676 /nfs/dbraw/zinc/97/96/76/1181979676.db2.gz GMIMOSUTFRFBPH-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001268214883 1182023998 /nfs/dbraw/zinc/02/39/98/1182023998.db2.gz XNAXMABNTCHUOX-PKOBYXMFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCC=C)CC1 ZINC001270338845 1185030554 /nfs/dbraw/zinc/03/05/54/1185030554.db2.gz TWDUNBZXIFCYPM-ROUUACIJSA-N 2 1 331.504 2.219 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371238 1185053594 /nfs/dbraw/zinc/05/35/94/1185053594.db2.gz FMMLQJWRRDRZNM-YJBOKZPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270429739 1185095332 /nfs/dbraw/zinc/09/53/32/1185095332.db2.gz GKSKXDKDBDYMIF-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482462896 1185932996 /nfs/dbraw/zinc/93/29/96/1185932996.db2.gz WDGDMIMESZFZIG-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482462896 1185933001 /nfs/dbraw/zinc/93/30/01/1185933001.db2.gz WDGDMIMESZFZIG-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271566449 1186316882 /nfs/dbraw/zinc/31/68/82/1186316882.db2.gz OXFXFRPYMOYVGO-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001691556990 1188261910 /nfs/dbraw/zinc/26/19/10/1188261910.db2.gz OCVSCXCVZFTDPB-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001691556990 1188261912 /nfs/dbraw/zinc/26/19/12/1188261912.db2.gz OCVSCXCVZFTDPB-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001691556990 1188261914 /nfs/dbraw/zinc/26/19/14/1188261914.db2.gz OCVSCXCVZFTDPB-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001691559701 1188262628 /nfs/dbraw/zinc/26/26/28/1188262628.db2.gz QEHQSVRGVBRVHD-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001691559701 1188262630 /nfs/dbraw/zinc/26/26/30/1188262630.db2.gz QEHQSVRGVBRVHD-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001691559701 1188262631 /nfs/dbraw/zinc/26/26/31/1188262631.db2.gz QEHQSVRGVBRVHD-RBUKOAKNSA-N 2 1 329.488 2.487 10 30 EEEEMP CN(CCC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483475919 1190497524 /nfs/dbraw/zinc/49/75/24/1190497524.db2.gz ZHXJVOOVPCHQKU-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001483587538 1190573756 /nfs/dbraw/zinc/57/37/56/1190573756.db2.gz HPEBZBCOUXEBKS-CRAIPNDOSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CCN(C(=O)CCc1cnc[nH]1)C1CC[NH+](CCCCC)CC1 ZINC001483985216 1191142404 /nfs/dbraw/zinc/14/24/04/1191142404.db2.gz OPQAHABOOYRIFL-UHFFFAOYSA-N 2 1 330.476 2.459 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001484389188 1191329099 /nfs/dbraw/zinc/32/90/99/1191329099.db2.gz ZJTAQHDULZBBRP-BCDXTJNWSA-N 2 1 342.487 2.309 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001484749917 1191506632 /nfs/dbraw/zinc/50/66/32/1191506632.db2.gz CYRVAARRMDOCRR-UHFFFAOYSA-N 2 1 339.443 2.044 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001484749917 1191506633 /nfs/dbraw/zinc/50/66/33/1191506633.db2.gz CYRVAARRMDOCRR-UHFFFAOYSA-N 2 1 339.443 2.044 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001485031678 1191622098 /nfs/dbraw/zinc/62/20/98/1191622098.db2.gz DGIDJYUQHRLAHP-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001485031678 1191622099 /nfs/dbraw/zinc/62/20/99/1191622099.db2.gz DGIDJYUQHRLAHP-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001485031678 1191622100 /nfs/dbraw/zinc/62/21/00/1191622100.db2.gz DGIDJYUQHRLAHP-HKUYNNGSSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CF)cc1 ZINC001485314628 1191730585 /nfs/dbraw/zinc/73/05/85/1191730585.db2.gz VUBXWYMYKBNSBZ-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CF)cc1 ZINC001485314628 1191730587 /nfs/dbraw/zinc/73/05/87/1191730587.db2.gz VUBXWYMYKBNSBZ-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC001485314628 1191730589 /nfs/dbraw/zinc/73/05/89/1191730589.db2.gz VUBXWYMYKBNSBZ-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001485314628 1191730591 /nfs/dbraw/zinc/73/05/91/1191730591.db2.gz VUBXWYMYKBNSBZ-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001486189336 1193731298 /nfs/dbraw/zinc/73/12/98/1193731298.db2.gz SZNOGQDMORXVCP-MISYRCLQSA-N 2 1 341.499 2.057 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261966 1201440293 /nfs/dbraw/zinc/44/02/93/1201440293.db2.gz PKVKCYKVHFTPOQ-SJORKVTESA-N 2 1 328.460 2.181 10 30 EEEEMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261966 1201440295 /nfs/dbraw/zinc/44/02/95/1201440295.db2.gz PKVKCYKVHFTPOQ-SJORKVTESA-N 2 1 328.460 2.181 10 30 EEEEMP C=CCCC[N@H+](CC)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000934649155 1207997744 /nfs/dbraw/zinc/99/77/44/1207997744.db2.gz LUSZERHXHOCDLG-UHFFFAOYSA-N 2 1 330.476 2.408 10 30 EEEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000303894926 1213922849 /nfs/dbraw/zinc/92/28/49/1213922849.db2.gz PFNDQTVEODKXPK-LJQANCHMSA-N 2 1 338.455 2.141 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001273624142 1281586083 /nfs/dbraw/zinc/58/60/83/1281586083.db2.gz PTRMQVQORRFICI-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001273624142 1281586088 /nfs/dbraw/zinc/58/60/88/1281586088.db2.gz PTRMQVQORRFICI-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001490775433 1291722526 /nfs/dbraw/zinc/72/25/26/1291722526.db2.gz WJKGLBFDVQZQKJ-SFHVURJKSA-N 2 1 330.476 2.165 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001490775433 1291722528 /nfs/dbraw/zinc/72/25/28/1291722528.db2.gz WJKGLBFDVQZQKJ-SFHVURJKSA-N 2 1 330.476 2.165 10 30 EEEEMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604057 1293580024 /nfs/dbraw/zinc/58/00/24/1293580024.db2.gz SIULHSHUWAFFOU-MOPGFXCFSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604057 1293580030 /nfs/dbraw/zinc/58/00/30/1293580030.db2.gz SIULHSHUWAFFOU-MOPGFXCFSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604057 1293580037 /nfs/dbraw/zinc/58/00/37/1293580037.db2.gz SIULHSHUWAFFOU-MOPGFXCFSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277941234 1305210707 /nfs/dbraw/zinc/21/07/07/1305210707.db2.gz MUUZCWXFXHRTBN-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001264685598 1322784260 /nfs/dbraw/zinc/78/42/60/1322784260.db2.gz MDUHQJKUFDYOST-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001264685598 1322784263 /nfs/dbraw/zinc/78/42/63/1322784263.db2.gz MDUHQJKUFDYOST-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001266088304 1323645794 /nfs/dbraw/zinc/64/57/94/1323645794.db2.gz SQQYLVWUXFMVKJ-IBGZPJMESA-N 2 1 329.488 2.353 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001280350437 1324165777 /nfs/dbraw/zinc/16/57/77/1324165777.db2.gz JKMPIKVRJRBMNC-LPHOPBHVSA-N 2 1 345.462 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001280350437 1324165793 /nfs/dbraw/zinc/16/57/93/1324165793.db2.gz JKMPIKVRJRBMNC-LPHOPBHVSA-N 2 1 345.462 2.411 10 30 EEEEMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001280426802 1324218397 /nfs/dbraw/zinc/21/83/97/1324218397.db2.gz GTISXRNOIOGRAW-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C=C(C)C[N@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001280426802 1324218402 /nfs/dbraw/zinc/21/84/02/1324218402.db2.gz GTISXRNOIOGRAW-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)O2 ZINC001280929262 1324646608 /nfs/dbraw/zinc/64/66/08/1324646608.db2.gz CSMIQKYDOUOEKT-ROUUACIJSA-N 2 1 349.519 2.175 10 30 EEEEMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748243 1325434563 /nfs/dbraw/zinc/43/45/63/1325434563.db2.gz VAORLCIMWMCBHI-SJORKVTESA-N 2 1 345.462 2.003 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281776330 1325448604 /nfs/dbraw/zinc/44/86/04/1325448604.db2.gz LZLVEUHFYFFOSJ-APWZRJJASA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001281776330 1325448608 /nfs/dbraw/zinc/44/86/08/1325448608.db2.gz LZLVEUHFYFFOSJ-APWZRJJASA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281776330 1325448610 /nfs/dbraw/zinc/44/86/10/1325448610.db2.gz LZLVEUHFYFFOSJ-APWZRJJASA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281776330 1325448614 /nfs/dbraw/zinc/44/86/14/1325448614.db2.gz LZLVEUHFYFFOSJ-APWZRJJASA-N 2 1 327.472 2.230 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001283723973 1326220215 /nfs/dbraw/zinc/22/02/15/1326220215.db2.gz RDQMTTKDFVWHGF-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC001284738030 1326690123 /nfs/dbraw/zinc/69/01/23/1326690123.db2.gz QUYIMXKTGPBEJG-KBPBESRZSA-N 2 1 344.381 2.137 10 30 EEEEMP C=CCOCC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001284977701 1326806702 /nfs/dbraw/zinc/80/67/02/1326806702.db2.gz KBVSJJDLXSPACF-UHFFFAOYSA-N 2 1 349.519 2.058 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316721525 1331862023 /nfs/dbraw/zinc/86/20/23/1331862023.db2.gz MCYBTCNXLJQJAJ-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001316850741 1331933916 /nfs/dbraw/zinc/93/39/16/1331933916.db2.gz IKPVHNXNBGHPDH-SFHVURJKSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873979 1331943641 /nfs/dbraw/zinc/94/36/41/1331943641.db2.gz IVGRJHYCWTXKQH-YOEHRIQHSA-N 2 1 334.464 2.285 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001316908260 1331974494 /nfs/dbraw/zinc/97/44/94/1331974494.db2.gz XZXGTZGGWHZLJK-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001316908260 1331974496 /nfs/dbraw/zinc/97/44/96/1331974496.db2.gz XZXGTZGGWHZLJK-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001316908260 1331974500 /nfs/dbraw/zinc/97/45/00/1331974500.db2.gz XZXGTZGGWHZLJK-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001317018058 1332046164 /nfs/dbraw/zinc/04/61/64/1332046164.db2.gz YANSIOAEVGCBJZ-MSOLQXFVSA-N 2 1 331.504 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001317018058 1332046167 /nfs/dbraw/zinc/04/61/67/1332046167.db2.gz YANSIOAEVGCBJZ-MSOLQXFVSA-N 2 1 331.504 2.005 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001317192578 1332124133 /nfs/dbraw/zinc/12/41/33/1332124133.db2.gz OSJDGJPNRZOKKF-OAHLLOKOSA-N 2 1 332.448 2.041 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195248 1332663497 /nfs/dbraw/zinc/66/34/97/1332663497.db2.gz GJODJRJWILGBFK-ICSRJNTNSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319197613 1332664013 /nfs/dbraw/zinc/66/40/13/1332664013.db2.gz QBIFTIKEMBPBTO-KNSYAOBUSA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319197613 1332664018 /nfs/dbraw/zinc/66/40/18/1332664018.db2.gz QBIFTIKEMBPBTO-KNSYAOBUSA-N 2 1 339.483 2.139 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322354202 1333252207 /nfs/dbraw/zinc/25/22/07/1333252207.db2.gz MSXCFWUDJHSTMW-DOTOQJQBSA-N 2 1 346.475 2.335 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001327131181 1334230488 /nfs/dbraw/zinc/23/04/88/1334230488.db2.gz QZMDGOPQTKXDAN-OAHLLOKOSA-N 2 1 334.464 2.287 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001327131181 1334230489 /nfs/dbraw/zinc/23/04/89/1334230489.db2.gz QZMDGOPQTKXDAN-OAHLLOKOSA-N 2 1 334.464 2.287 10 30 EEEEMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001328692908 1334500553 /nfs/dbraw/zinc/50/05/53/1334500553.db2.gz DCJHLVCOZNXZPL-UYAOXDASSA-N 2 1 341.499 2.359 10 30 EEEEMP C=CCCC[NH2+]CC1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001328937782 1334552160 /nfs/dbraw/zinc/55/21/60/1334552160.db2.gz CISVAFBEYUWPDK-UHFFFAOYSA-N 2 1 339.443 2.332 10 30 EEEEMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329531757 1334669397 /nfs/dbraw/zinc/66/93/97/1334669397.db2.gz LVWDMBPAIDKORF-HNNXBMFYSA-N 2 1 335.879 2.080 10 30 EEEEMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001329531757 1334669399 /nfs/dbraw/zinc/66/93/99/1334669399.db2.gz LVWDMBPAIDKORF-HNNXBMFYSA-N 2 1 335.879 2.080 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001331054495 1334954499 /nfs/dbraw/zinc/95/44/99/1334954499.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001331054495 1334954501 /nfs/dbraw/zinc/95/45/01/1334954501.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001331054495 1334954504 /nfs/dbraw/zinc/95/45/04/1334954504.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 2 1 337.483 2.145 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567740977 1342829620 /nfs/dbraw/zinc/82/96/20/1342829620.db2.gz AMOAIIQHDIRHRF-GOSISDBHSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569442722 1342870722 /nfs/dbraw/zinc/87/07/22/1342870722.db2.gz GLBJEPCYJZOPIH-IPQPSQTFSA-N 2 1 331.504 2.386 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001676052862 1357097902 /nfs/dbraw/zinc/09/79/02/1357097902.db2.gz YHQRJPFLGYPHNL-INIZCTEOSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001676052862 1357097905 /nfs/dbraw/zinc/09/79/05/1357097905.db2.gz YHQRJPFLGYPHNL-INIZCTEOSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821125 1357213561 /nfs/dbraw/zinc/21/35/61/1357213561.db2.gz RFFGSYJKMOTMIX-UYAOXDASSA-N 2 1 331.504 2.389 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001677462330 1357335289 /nfs/dbraw/zinc/33/52/89/1357335289.db2.gz DMDUXMUJOGURKB-INIZCTEOSA-N 2 1 342.487 2.391 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001661213495 1354608391 /nfs/dbraw/zinc/60/83/91/1354608391.db2.gz SNTCWTYDGXJMRY-MJGOQNOKSA-N 2 1 333.520 2.465 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001663968815 1355064419 /nfs/dbraw/zinc/06/44/19/1355064419.db2.gz WMBVBNFAUVPFLE-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001666345255 1355515103 /nfs/dbraw/zinc/51/51/03/1355515103.db2.gz YUKUCLUKJVCIRE-HXUWFJFHSA-N 2 1 345.462 2.238 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001668320373 1355922886 /nfs/dbraw/zinc/92/28/86/1355922886.db2.gz QALSZCXMDDGFKT-CQSZACIVSA-N 2 1 334.439 2.022 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543404 1356551982 /nfs/dbraw/zinc/55/19/82/1356551982.db2.gz IPGXBRQAHSGQJY-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792017 1405066357 /nfs/dbraw/zinc/06/63/57/1405066357.db2.gz JDKPIRNFNANELY-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698792017 1405066365 /nfs/dbraw/zinc/06/63/65/1405066365.db2.gz JDKPIRNFNANELY-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001698792017 1405066381 /nfs/dbraw/zinc/06/63/81/1405066381.db2.gz JDKPIRNFNANELY-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699102567 1405255357 /nfs/dbraw/zinc/25/53/57/1405255357.db2.gz OBDWYFQWMVASRE-AYOQOUSVSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699114228 1405269796 /nfs/dbraw/zinc/26/97/96/1405269796.db2.gz CRRNZUHLLCETQH-VQIMIIECSA-N 2 1 345.462 2.146 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699758674 1405469225 /nfs/dbraw/zinc/46/92/25/1405469225.db2.gz MLYUVCWBMCBOAK-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000912466721 788185238 /nfs/dbraw/zinc/18/52/38/788185238.db2.gz YSWWFTCSMSVGJD-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP [NH3+]CCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923531465 789730120 /nfs/dbraw/zinc/73/01/20/789730120.db2.gz RCMXBXVYRPCZHQ-RNFRBKRXSA-N 2 1 326.231 2.438 10 30 EEEEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001436438849 1087830948 /nfs/dbraw/zinc/83/09/48/1087830948.db2.gz LRZKIAJVWPVLAU-ZWKOTPCHSA-N 2 1 346.450 2.118 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001437901448 1090481625 /nfs/dbraw/zinc/48/16/25/1090481625.db2.gz CDZBZTTZMKVNAF-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001439228002 1091872548 /nfs/dbraw/zinc/87/25/48/1091872548.db2.gz VBVBDUXFKXBNCW-KBPBESRZSA-N 2 1 346.313 2.110 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001440387601 1093561375 /nfs/dbraw/zinc/56/13/75/1093561375.db2.gz AUEIOVGDXWXHIZ-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001449032759 1094044521 /nfs/dbraw/zinc/04/45/21/1094044521.db2.gz JAZLPCAPXZBJQX-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001449032759 1094044528 /nfs/dbraw/zinc/04/45/28/1094044528.db2.gz JAZLPCAPXZBJQX-XJKSGUPXSA-N 2 1 334.489 2.041 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001441033494 1094326977 /nfs/dbraw/zinc/32/69/77/1094326977.db2.gz OZMCVOUPULEMFG-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001441033494 1094326983 /nfs/dbraw/zinc/32/69/83/1094326983.db2.gz OZMCVOUPULEMFG-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001441033494 1094326991 /nfs/dbraw/zinc/32/69/91/1094326991.db2.gz OZMCVOUPULEMFG-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001441033494 1094326994 /nfs/dbraw/zinc/32/69/94/1094326994.db2.gz OZMCVOUPULEMFG-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157241 /nfs/dbraw/zinc/15/72/41/1099157241.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157245 /nfs/dbraw/zinc/15/72/45/1099157245.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157247 /nfs/dbraw/zinc/15/72/47/1099157247.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001480333209 1100095249 /nfs/dbraw/zinc/09/52/49/1100095249.db2.gz WVBWSDTUKMOASL-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001480333209 1100095256 /nfs/dbraw/zinc/09/52/56/1100095256.db2.gz WVBWSDTUKMOASL-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001444988266 1100117601 /nfs/dbraw/zinc/11/76/01/1100117601.db2.gz BXUGINGQDULBDS-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001444988266 1100117608 /nfs/dbraw/zinc/11/76/08/1100117608.db2.gz BXUGINGQDULBDS-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001444988266 1100117610 /nfs/dbraw/zinc/11/76/10/1100117610.db2.gz BXUGINGQDULBDS-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472058 1100278547 /nfs/dbraw/zinc/27/85/47/1100278547.db2.gz MRKQNJQTIJIIML-LPHOPBHVSA-N 2 1 345.462 2.146 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521791 1100352353 /nfs/dbraw/zinc/35/23/53/1100352353.db2.gz LFHISYHWFFOKRC-APWZRJJASA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001494018340 1103355600 /nfs/dbraw/zinc/35/56/00/1103355600.db2.gz LPCHAFVEKHRGAP-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494018340 1103355620 /nfs/dbraw/zinc/35/56/20/1103355620.db2.gz LPCHAFVEKHRGAP-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494018340 1103355634 /nfs/dbraw/zinc/35/56/34/1103355634.db2.gz LPCHAFVEKHRGAP-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001494792133 1104375549 /nfs/dbraw/zinc/37/55/49/1104375549.db2.gz IIWSABICPLADLH-OVKVCFKUSA-N 2 1 331.504 2.269 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659489 1107913596 /nfs/dbraw/zinc/91/35/96/1107913596.db2.gz YJHPUELCQPTEAF-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001499492267 1112320234 /nfs/dbraw/zinc/32/02/34/1112320234.db2.gz UREUONWSIJJXMQ-HRVKUGKESA-N 2 1 331.504 2.386 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001500038123 1112588254 /nfs/dbraw/zinc/58/82/54/1112588254.db2.gz VGVDGAFFFHKZOW-LJQANCHMSA-N 2 1 333.520 2.441 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001500161646 1112648576 /nfs/dbraw/zinc/64/85/76/1112648576.db2.gz MPPMRWZYPBOZHK-LJQANCHMSA-N 2 1 331.504 2.056 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001501221578 1113249273 /nfs/dbraw/zinc/24/92/73/1113249273.db2.gz CQACIRDCLFXRGC-IXDOHACOSA-N 2 1 325.472 2.023 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406950 1113671576 /nfs/dbraw/zinc/67/15/76/1113671576.db2.gz WUEBFKXNFMHSLU-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866556 /nfs/dbraw/zinc/86/65/56/1113866556.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866560 /nfs/dbraw/zinc/86/65/60/1113866560.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866564 /nfs/dbraw/zinc/86/65/64/1113866564.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506005614 1114337659 /nfs/dbraw/zinc/33/76/59/1114337659.db2.gz DXRBVJMBMXYZOE-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005614 1114337660 /nfs/dbraw/zinc/33/76/60/1114337660.db2.gz DXRBVJMBMXYZOE-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005614 1114337663 /nfs/dbraw/zinc/33/76/63/1114337663.db2.gz DXRBVJMBMXYZOE-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001568241180 1124380618 /nfs/dbraw/zinc/38/06/18/1124380618.db2.gz IOQIWDGMTFYSCY-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001565871180 1125446123 /nfs/dbraw/zinc/44/61/23/1125446123.db2.gz ABPWTAKCTFNVPQ-ZHALLVOQSA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCNC(N[C@@H](C)c1ccccc1)=[NH+]C[C@@H]1CC[N@H+](CCOC)C1 ZINC000075583132 462734171 /nfs/dbraw/zinc/73/41/71/462734171.db2.gz IGCZZKBJBISPNJ-ROUUACIJSA-N 2 1 344.503 2.437 10 30 EEEEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000174849565 464458603 /nfs/dbraw/zinc/45/86/03/464458603.db2.gz HEABAZOIWRMHSF-SFHVURJKSA-N 2 1 336.524 2.043 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000594449323 468593045 /nfs/dbraw/zinc/59/30/45/468593045.db2.gz GNLSHYGNJBXFLA-GBESFXJTSA-N 2 1 340.471 2.131 10 30 EEEEMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000599338348 469216765 /nfs/dbraw/zinc/21/67/65/469216765.db2.gz AMGUJNQDULFQOO-XLIONFOSSA-N 2 1 326.488 2.325 10 30 EEEEMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000599338348 469216767 /nfs/dbraw/zinc/21/67/67/469216767.db2.gz AMGUJNQDULFQOO-XLIONFOSSA-N 2 1 326.488 2.325 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnc2ccccc21 ZINC000596361442 469250443 /nfs/dbraw/zinc/25/04/43/469250443.db2.gz SQSGPOAZXBOIQV-HNNXBMFYSA-N 2 1 325.460 2.212 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnc2ccccc21 ZINC000596361442 469250446 /nfs/dbraw/zinc/25/04/46/469250446.db2.gz SQSGPOAZXBOIQV-HNNXBMFYSA-N 2 1 325.460 2.212 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602583718 469372243 /nfs/dbraw/zinc/37/22/43/469372243.db2.gz RVFRMFXVNNFQMM-QRQLOZEOSA-N 2 1 342.487 2.282 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684833 472205559 /nfs/dbraw/zinc/20/55/59/472205559.db2.gz JTVQFSKURVDIPT-KDOFPFPSSA-N 2 1 333.501 2.309 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662684833 472205567 /nfs/dbraw/zinc/20/55/67/472205567.db2.gz JTVQFSKURVDIPT-KDOFPFPSSA-N 2 1 333.501 2.309 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000730284673 577016055 /nfs/dbraw/zinc/01/60/55/577016055.db2.gz QHALCQWHWRBISH-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000730284673 577016056 /nfs/dbraw/zinc/01/60/56/577016056.db2.gz QHALCQWHWRBISH-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccc(F)cc1 ZINC000262784257 679554860 /nfs/dbraw/zinc/55/48/60/679554860.db2.gz MBSNIQMAONVZJB-KRWDZBQOSA-N 2 1 338.496 2.270 10 30 EEEEMP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262008496 682809501 /nfs/dbraw/zinc/80/95/01/682809501.db2.gz WCTVDKMKTVSOSY-WMLDXEAASA-N 2 1 342.491 2.265 10 30 EEEEMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262008496 682809507 /nfs/dbraw/zinc/80/95/07/682809507.db2.gz WCTVDKMKTVSOSY-WMLDXEAASA-N 2 1 342.491 2.265 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891387 1177725440 /nfs/dbraw/zinc/72/54/40/1177725440.db2.gz OWWUOUWPVYHQOV-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266985035 1178040112 /nfs/dbraw/zinc/04/01/12/1178040112.db2.gz ZWZXFCWQSOCVIV-OAHLLOKOSA-N 2 1 335.879 2.128 10 30 EEEEMP C=CC[NH2+]CCc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001267098096 1178235315 /nfs/dbraw/zinc/23/53/15/1178235315.db2.gz DOTJTXGYRQSSJG-CALCHBBNSA-N 2 1 329.488 2.494 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001267208886 1178501238 /nfs/dbraw/zinc/50/12/38/1178501238.db2.gz ZUDCBLQCBHHHHX-INIZCTEOSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267519240 1179244686 /nfs/dbraw/zinc/24/46/86/1179244686.db2.gz CKXWICLETFIHOH-SFHVURJKSA-N 2 1 325.456 2.085 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267570795 1179425572 /nfs/dbraw/zinc/42/55/72/1179425572.db2.gz SKXZNQNRMWOUCY-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001268123055 1181770762 /nfs/dbraw/zinc/77/07/62/1181770762.db2.gz HGDPOVNEKWFXJA-FQEVSTJZSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001268123055 1181770769 /nfs/dbraw/zinc/77/07/69/1181770769.db2.gz HGDPOVNEKWFXJA-FQEVSTJZSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481781347 1182693291 /nfs/dbraw/zinc/69/32/91/1182693291.db2.gz VZNDIKLMUPTOMZ-LJQANCHMSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481781347 1182693300 /nfs/dbraw/zinc/69/33/00/1182693300.db2.gz VZNDIKLMUPTOMZ-LJQANCHMSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001481781347 1182693305 /nfs/dbraw/zinc/69/33/05/1182693305.db2.gz VZNDIKLMUPTOMZ-LJQANCHMSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001481781347 1182693310 /nfs/dbraw/zinc/69/33/10/1182693310.db2.gz VZNDIKLMUPTOMZ-LJQANCHMSA-N 2 1 327.472 2.065 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001269593017 1184417098 /nfs/dbraw/zinc/41/70/98/1184417098.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001269593017 1184417103 /nfs/dbraw/zinc/41/71/03/1184417103.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001269593017 1184417108 /nfs/dbraw/zinc/41/71/08/1184417108.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP CC#CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001269611868 1184442551 /nfs/dbraw/zinc/44/25/51/1184442551.db2.gz UAXFYVGPJODAAP-UHFFFAOYSA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCC[N@H+](CCOC)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269644999 1184466610 /nfs/dbraw/zinc/46/66/10/1184466610.db2.gz WVWWKDBVPOMZKQ-UHFFFAOYSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270965688 1185776923 /nfs/dbraw/zinc/77/69/23/1185776923.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270965688 1185776928 /nfs/dbraw/zinc/77/69/28/1185776928.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 1 337.895 2.055 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271102080 1185886749 /nfs/dbraw/zinc/88/67/49/1185886749.db2.gz XELKZMUIRSSLER-GJZGRUSLSA-N 2 1 331.451 2.366 10 30 EEEEMP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]2C1 ZINC001271891512 1186586781 /nfs/dbraw/zinc/58/67/81/1186586781.db2.gz KQJPFXLXVOAOCN-KDURUIRLSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[N@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001272916842 1193602788 /nfs/dbraw/zinc/60/27/88/1193602788.db2.gz ISYFXMLBBWERMO-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001272916842 1193602790 /nfs/dbraw/zinc/60/27/90/1193602790.db2.gz ISYFXMLBBWERMO-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C=CC[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001272917338 1193603380 /nfs/dbraw/zinc/60/33/80/1193603380.db2.gz UAWPIPCIWHPEPJ-MRXNPFEDSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[N@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001272917338 1193603381 /nfs/dbraw/zinc/60/33/81/1193603381.db2.gz UAWPIPCIWHPEPJ-MRXNPFEDSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001691805449 1189236959 /nfs/dbraw/zinc/23/69/59/1189236959.db2.gz UZNWABJGADCFEZ-OAHLLOKOSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001691805449 1189236961 /nfs/dbraw/zinc/23/69/61/1189236961.db2.gz UZNWABJGADCFEZ-OAHLLOKOSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001483583371 1190570270 /nfs/dbraw/zinc/57/02/70/1190570270.db2.gz LTRZMJBOXSFCTC-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001483805721 1191051902 /nfs/dbraw/zinc/05/19/02/1191051902.db2.gz WJTRJWDPWQCPTQ-YQQQUEKLSA-N 2 1 342.487 2.497 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484009329 1191153302 /nfs/dbraw/zinc/15/33/02/1191153302.db2.gz NDBHTHYJXUJXNC-PKOBYXMFSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001484397836 1191330812 /nfs/dbraw/zinc/33/08/12/1191330812.db2.gz QRDMARQCRNTYKK-WGSAOQKQSA-N 2 1 341.499 2.264 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001484397836 1191330814 /nfs/dbraw/zinc/33/08/14/1191330814.db2.gz QRDMARQCRNTYKK-WGSAOQKQSA-N 2 1 341.499 2.264 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462096 1191366344 /nfs/dbraw/zinc/36/63/44/1191366344.db2.gz BELGZZIQBAUBSP-RBUKOAKNSA-N 2 1 331.504 2.341 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001484778156 1191516937 /nfs/dbraw/zinc/51/69/37/1191516937.db2.gz IRVZNEQOEMXUSD-GOSISDBHSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCOCC1 ZINC001484868961 1191555434 /nfs/dbraw/zinc/55/54/34/1191555434.db2.gz GLDQBWYJUSJUGQ-UHFFFAOYSA-N 2 1 348.491 2.228 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001485031842 1191622084 /nfs/dbraw/zinc/62/20/84/1191622084.db2.gz UFGVZXDQMXQBJP-SFHVURJKSA-N 2 1 339.499 2.250 10 30 EEEEMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485318138 1191732404 /nfs/dbraw/zinc/73/24/04/1191732404.db2.gz FEUZSGJDYWZOKX-MAUKXSAKSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485318138 1191732406 /nfs/dbraw/zinc/73/24/06/1191732406.db2.gz FEUZSGJDYWZOKX-MAUKXSAKSA-N 2 1 349.906 2.468 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967839 1199832678 /nfs/dbraw/zinc/83/26/78/1199832678.db2.gz MCPFGLJSDLQSOX-IRXDYDNUSA-N 2 1 335.879 2.232 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866669200 1201575191 /nfs/dbraw/zinc/57/51/91/1201575191.db2.gz UIZOIQSDWHZXMV-OALUTQOASA-N 2 1 341.455 2.484 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866669200 1201575193 /nfs/dbraw/zinc/57/51/93/1201575193.db2.gz UIZOIQSDWHZXMV-OALUTQOASA-N 2 1 341.455 2.484 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274106048 1204373339 /nfs/dbraw/zinc/37/33/39/1204373339.db2.gz UWWDWELLIVNJBV-LSTKMXGYSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185465 1205277467 /nfs/dbraw/zinc/27/74/67/1205277467.db2.gz YJSXFLSZWURLLW-WOJBJXKFSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275574186 1205423219 /nfs/dbraw/zinc/42/32/19/1205423219.db2.gz PURIWHBYDAWXIB-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C[NH+](C)C1CCC1 ZINC001275574186 1205423222 /nfs/dbraw/zinc/42/32/22/1205423222.db2.gz PURIWHBYDAWXIB-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001275574186 1205423223 /nfs/dbraw/zinc/42/32/23/1205423223.db2.gz PURIWHBYDAWXIB-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275574186 1205423225 /nfs/dbraw/zinc/42/32/25/1205423225.db2.gz PURIWHBYDAWXIB-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272557 1205863731 /nfs/dbraw/zinc/86/37/31/1205863731.db2.gz ZPRTYLZHUDXJLX-QGZVFWFLSA-N 2 1 338.455 2.078 10 30 EEEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303986692 1213936251 /nfs/dbraw/zinc/93/62/51/1213936251.db2.gz UQGRGCFKBNIGIC-ZDUSSCGKSA-N 2 1 340.855 2.186 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)CCC=C)C2 ZINC001276863022 1299974892 /nfs/dbraw/zinc/97/48/92/1299974892.db2.gz VYEZWNAXVYQGQO-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)CCC=C)C2 ZINC001276863022 1299974895 /nfs/dbraw/zinc/97/48/95/1299974895.db2.gz VYEZWNAXVYQGQO-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)CCC=C)C2 ZINC001276863022 1299974896 /nfs/dbraw/zinc/97/48/96/1299974896.db2.gz VYEZWNAXVYQGQO-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)CCC=C)C2 ZINC001276863022 1299974897 /nfs/dbraw/zinc/97/48/97/1299974897.db2.gz VYEZWNAXVYQGQO-MOPGFXCFSA-N 2 1 343.515 2.363 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC001278437839 1310264786 /nfs/dbraw/zinc/26/47/86/1310264786.db2.gz JEGGBPIOUNXNJP-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001278437839 1310264790 /nfs/dbraw/zinc/26/47/90/1310264790.db2.gz JEGGBPIOUNXNJP-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001278437839 1310264793 /nfs/dbraw/zinc/26/47/93/1310264793.db2.gz JEGGBPIOUNXNJP-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001278437839 1310264796 /nfs/dbraw/zinc/26/47/96/1310264796.db2.gz JEGGBPIOUNXNJP-HXUWFJFHSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001278498465 1310828893 /nfs/dbraw/zinc/82/88/93/1310828893.db2.gz LFGKUYVDUVWCOU-GHTZIAJQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CC(=C)C)C2)CC1 ZINC001278692764 1317755660 /nfs/dbraw/zinc/75/56/60/1317755660.db2.gz CCZIKGFYDSILEL-FQEVSTJZSA-N 2 1 331.504 2.126 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001264057084 1322600569 /nfs/dbraw/zinc/60/05/69/1322600569.db2.gz NSPLVFCVAMQUGF-DOTOQJQBSA-N 2 1 334.464 2.285 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001264057084 1322600573 /nfs/dbraw/zinc/60/05/73/1322600573.db2.gz NSPLVFCVAMQUGF-DOTOQJQBSA-N 2 1 334.464 2.285 10 30 EEEEMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264767702 1322812240 /nfs/dbraw/zinc/81/22/40/1322812240.db2.gz UWIDPAKFBJWSFZ-RBUKOAKNSA-N 2 1 345.487 2.105 10 30 EEEEMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001265182838 1322973281 /nfs/dbraw/zinc/97/32/81/1322973281.db2.gz RNZWFARNUYDCHH-CQSZACIVSA-N 2 1 346.500 2.042 10 30 EEEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265303791 1323054243 /nfs/dbraw/zinc/05/42/43/1323054243.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303791 1323054250 /nfs/dbraw/zinc/05/42/50/1323054250.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303791 1323054258 /nfs/dbraw/zinc/05/42/58/1323054258.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001265930632 1323494933 /nfs/dbraw/zinc/49/49/33/1323494933.db2.gz FXGPGZPLTHAXGN-HNNXBMFYSA-N 2 1 332.448 2.041 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001281670085 1325386599 /nfs/dbraw/zinc/38/65/99/1325386599.db2.gz LUCCHTJYGHLWHQ-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282335597 1325694525 /nfs/dbraw/zinc/69/45/25/1325694525.db2.gz PVUOKKHBDARYFD-LJQANCHMSA-N 2 1 341.499 2.064 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001282614669 1325752202 /nfs/dbraw/zinc/75/22/02/1325752202.db2.gz FFJWAFKQXKAEGT-ROUUACIJSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001282667746 1325760831 /nfs/dbraw/zinc/76/08/31/1325760831.db2.gz RMKOFHHEBSNHDG-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001284015383 1326363953 /nfs/dbraw/zinc/36/39/53/1326363953.db2.gz FWSQAIILZKUCOM-RDJZCZTQSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316642915 1327344930 /nfs/dbraw/zinc/34/49/30/1327344930.db2.gz SARMILRTTFORQE-RBUKOAKNSA-N 2 1 339.483 2.078 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491964718 1330359396 /nfs/dbraw/zinc/35/93/96/1330359396.db2.gz AMCKEKHQWBLYRS-FQEVSTJZSA-N 2 1 339.483 2.057 10 30 EEEEMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317219720 1332141847 /nfs/dbraw/zinc/14/18/47/1332141847.db2.gz RZCXQLMHLBSHFB-ABHNRTSZSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219720 1332141849 /nfs/dbraw/zinc/14/18/49/1332141849.db2.gz RZCXQLMHLBSHFB-ABHNRTSZSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001317471278 1332257603 /nfs/dbraw/zinc/25/76/03/1332257603.db2.gz HQDKWWJXRXUVEK-QGZVFWFLSA-N 2 1 327.472 2.141 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001320553142 1332908672 /nfs/dbraw/zinc/90/86/72/1332908672.db2.gz PWJINMIGIOAINJ-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001322549698 1333281007 /nfs/dbraw/zinc/28/10/07/1333281007.db2.gz QXPQLLJCPQIWKM-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001322549698 1333281010 /nfs/dbraw/zinc/28/10/10/1333281010.db2.gz QXPQLLJCPQIWKM-SFHVURJKSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001324160571 1333621333 /nfs/dbraw/zinc/62/13/33/1333621333.db2.gz AQMSWECUBQJLQM-YJBOKZPZSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001324160571 1333621335 /nfs/dbraw/zinc/62/13/35/1333621335.db2.gz AQMSWECUBQJLQM-YJBOKZPZSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001325632133 1333928867 /nfs/dbraw/zinc/92/88/67/1333928867.db2.gz OGVXCITYPVLPNY-FCGDIQPGSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001325632133 1333928868 /nfs/dbraw/zinc/92/88/68/1333928868.db2.gz OGVXCITYPVLPNY-FCGDIQPGSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309802 1334264316 /nfs/dbraw/zinc/26/43/16/1334264316.db2.gz YCBNNSRIJBCFAW-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001331602621 1335044266 /nfs/dbraw/zinc/04/42/66/1335044266.db2.gz ZPBGOEWAJBXGPV-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001571697554 1343278980 /nfs/dbraw/zinc/27/89/80/1343278980.db2.gz FVYQARPFJWUTES-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](CC#Cc2ccccc2)CC1 ZINC001571697554 1343278982 /nfs/dbraw/zinc/27/89/82/1343278982.db2.gz FVYQARPFJWUTES-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001571697554 1343278986 /nfs/dbraw/zinc/27/89/86/1343278986.db2.gz FVYQARPFJWUTES-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001571697554 1343278990 /nfs/dbraw/zinc/27/89/90/1343278990.db2.gz FVYQARPFJWUTES-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001656673221 1354263032 /nfs/dbraw/zinc/26/30/32/1354263032.db2.gz AOYGWRGYZUBEAZ-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001656673221 1354263033 /nfs/dbraw/zinc/26/30/33/1354263033.db2.gz AOYGWRGYZUBEAZ-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001656673221 1354263035 /nfs/dbraw/zinc/26/30/35/1354263035.db2.gz AOYGWRGYZUBEAZ-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001656673221 1354263037 /nfs/dbraw/zinc/26/30/37/1354263037.db2.gz AOYGWRGYZUBEAZ-RTBURBONSA-N 2 1 345.462 2.075 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661067124 1354584651 /nfs/dbraw/zinc/58/46/51/1354584651.db2.gz WKPLTRBNMFHCIO-ZWKOTPCHSA-N 2 1 349.494 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661067124 1354584655 /nfs/dbraw/zinc/58/46/55/1354584655.db2.gz WKPLTRBNMFHCIO-ZWKOTPCHSA-N 2 1 349.494 2.195 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661577589 1354660735 /nfs/dbraw/zinc/66/07/35/1354660735.db2.gz NWSALLJWAODIRF-SOLBZPMBSA-N 2 1 345.874 2.023 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001672924795 1356615993 /nfs/dbraw/zinc/61/59/93/1356615993.db2.gz DDMYYSUSSZBVQE-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C)cc1 ZINC001672936670 1356618565 /nfs/dbraw/zinc/61/85/65/1356618565.db2.gz CDBXPULMNRTZBF-APWZRJJASA-N 2 1 325.456 2.237 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C)cc1 ZINC001672936670 1356618569 /nfs/dbraw/zinc/61/85/69/1356618569.db2.gz CDBXPULMNRTZBF-APWZRJJASA-N 2 1 325.456 2.237 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001673617373 1356718178 /nfs/dbraw/zinc/71/81/78/1356718178.db2.gz DSQQAMJTBDXJBX-ZWKOTPCHSA-N 2 1 331.504 2.387 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001674271275 1356809379 /nfs/dbraw/zinc/80/93/79/1356809379.db2.gz FEMOXCJWSPMOBE-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001674271275 1356809386 /nfs/dbraw/zinc/80/93/86/1356809386.db2.gz FEMOXCJWSPMOBE-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001674271275 1356809388 /nfs/dbraw/zinc/80/93/88/1356809388.db2.gz FEMOXCJWSPMOBE-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001674271275 1356809392 /nfs/dbraw/zinc/80/93/92/1356809392.db2.gz FEMOXCJWSPMOBE-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674481046 1356843713 /nfs/dbraw/zinc/84/37/13/1356843713.db2.gz PBQUSBIALTUVCP-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691794946 1404948735 /nfs/dbraw/zinc/94/87/35/1404948735.db2.gz SVEQIYZVYBIJSX-VAMGGRTRSA-N 2 1 339.483 2.007 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C(C)(C)C1 ZINC000940986613 779668782 /nfs/dbraw/zinc/66/87/82/779668782.db2.gz JTWFBRTUXMBHED-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986613 779668783 /nfs/dbraw/zinc/66/87/83/779668783.db2.gz JTWFBRTUXMBHED-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001437873573 1090450829 /nfs/dbraw/zinc/45/08/29/1090450829.db2.gz PHIBNTNQYHGRBU-INIZCTEOSA-N 2 1 333.863 2.282 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445386125 1091129713 /nfs/dbraw/zinc/12/97/13/1091129713.db2.gz PDTOXLBTXSGUGS-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001441831427 1095887684 /nfs/dbraw/zinc/88/76/84/1095887684.db2.gz HNNIXAKLKWRJES-PBHICJAKSA-N 2 1 346.450 2.117 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480368547 1100144925 /nfs/dbraw/zinc/14/49/25/1100144925.db2.gz ZXOBRBGAULGOAI-RTBURBONSA-N 2 1 327.472 2.283 10 30 EEEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001480407095 1100221600 /nfs/dbraw/zinc/22/16/00/1100221600.db2.gz OWKUXIADAVCEJM-GTPINHCMSA-N 2 1 330.476 2.347 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472616 1100280560 /nfs/dbraw/zinc/28/05/60/1100280560.db2.gz QNJZCFQDDDSXQG-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001496600617 1101201849 /nfs/dbraw/zinc/20/18/49/1101201849.db2.gz WWVJCPQHDZOMED-AEFFLSMTSA-N 2 1 332.492 2.451 10 30 EEEEMP C=CCC[NH2+][C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001496623178 1101226480 /nfs/dbraw/zinc/22/64/80/1101226480.db2.gz BLDXUPYXCQIGCN-QGZVFWFLSA-N 2 1 327.432 2.187 10 30 EEEEMP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480713719 1106941145 /nfs/dbraw/zinc/94/11/45/1106941145.db2.gz JEASDGAZHCVBBK-IBGZPJMESA-N 2 1 329.488 2.495 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001498168101 1107012511 /nfs/dbraw/zinc/01/25/11/1107012511.db2.gz KFRSQQUFFJHRLG-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480771070 1107083355 /nfs/dbraw/zinc/08/33/55/1107083355.db2.gz OMDYNPWZXKUSOA-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001499523039 1112339563 /nfs/dbraw/zinc/33/95/63/1112339563.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 1 330.476 2.363 10 30 EEEEMP C#CC[N@@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001499523039 1112339566 /nfs/dbraw/zinc/33/95/66/1112339566.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 1 330.476 2.363 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001499523039 1112339572 /nfs/dbraw/zinc/33/95/72/1112339572.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 1 330.476 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523123 1112916179 /nfs/dbraw/zinc/91/61/79/1112916179.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523123 1112916182 /nfs/dbraw/zinc/91/61/82/1112916182.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001500523123 1112916186 /nfs/dbraw/zinc/91/61/86/1112916186.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001501617887 1113401261 /nfs/dbraw/zinc/40/12/61/1113401261.db2.gz GJELXLAVMJKWKH-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001501698270 1113440371 /nfs/dbraw/zinc/44/03/71/1113440371.db2.gz JARRTFLCXVWCIT-NCXUSEDFSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001501723434 1113450295 /nfs/dbraw/zinc/45/02/95/1113450295.db2.gz SVFIUEAITYPGMR-KESTWPANSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001501723434 1113450296 /nfs/dbraw/zinc/45/02/96/1113450296.db2.gz SVFIUEAITYPGMR-KESTWPANSA-N 2 1 341.499 2.406 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735011 1114158831 /nfs/dbraw/zinc/15/88/31/1114158831.db2.gz JSKJAWZKRGEWBL-UONOGXRCSA-N 2 1 334.439 2.022 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001506522760 1114671675 /nfs/dbraw/zinc/67/16/75/1114671675.db2.gz XRZBIGGGDYKNLN-MSOLQXFVSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001507362442 1115222675 /nfs/dbraw/zinc/22/26/75/1115222675.db2.gz HQTLHGJYCLWGFP-FGTMMUONSA-N 2 1 330.476 2.374 10 30 EEEEMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366941210 466030558 /nfs/dbraw/zinc/03/05/58/466030558.db2.gz AIBLJCQBVDQYOC-WTGUMLROSA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941210 466030565 /nfs/dbraw/zinc/03/05/65/466030565.db2.gz AIBLJCQBVDQYOC-WTGUMLROSA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941210 466030573 /nfs/dbraw/zinc/03/05/73/466030573.db2.gz AIBLJCQBVDQYOC-WTGUMLROSA-N 2 1 332.488 2.277 10 30 EEEEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715774 468630731 /nfs/dbraw/zinc/63/07/31/468630731.db2.gz ILHCJBGXIWKZPK-KSZLIROESA-N 2 1 337.508 2.015 10 30 EEEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091334302 526603985 /nfs/dbraw/zinc/60/39/85/526603985.db2.gz IOUIOVHDGXIKDL-AWEZNQCLSA-N 2 1 337.489 2.025 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000894638799 683008175 /nfs/dbraw/zinc/00/81/75/683008175.db2.gz GUYPDHODMOSJBY-ILXRZTDVSA-N 2 1 348.409 2.441 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000894638799 683008180 /nfs/dbraw/zinc/00/81/80/683008180.db2.gz GUYPDHODMOSJBY-ILXRZTDVSA-N 2 1 348.409 2.441 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907425 1177940507 /nfs/dbraw/zinc/94/05/07/1177940507.db2.gz DBFKSOKGCHIJOU-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907425 1177940515 /nfs/dbraw/zinc/94/05/15/1177940515.db2.gz DBFKSOKGCHIJOU-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001267096517 1178231256 /nfs/dbraw/zinc/23/12/56/1178231256.db2.gz SAVYADDANQCWIV-VQTJNVASSA-N 2 1 341.499 2.189 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001691462957 1178886236 /nfs/dbraw/zinc/88/62/36/1178886236.db2.gz BEWDNELVYLSIPJ-YESZJQIVSA-N 2 1 330.476 2.205 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267386307 1178946472 /nfs/dbraw/zinc/94/64/72/1178946472.db2.gz CFQXTZZRDNAYBK-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001267386685 1178947731 /nfs/dbraw/zinc/94/77/31/1178947731.db2.gz QROSNEZNWVTEKF-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001267386685 1178947735 /nfs/dbraw/zinc/94/77/35/1178947735.db2.gz QROSNEZNWVTEKF-OALUTQOASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001267989213 1180927659 /nfs/dbraw/zinc/92/76/59/1180927659.db2.gz IMVBDLSDLGKRKP-MJGOQNOKSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001267989213 1180927667 /nfs/dbraw/zinc/92/76/67/1180927667.db2.gz IMVBDLSDLGKRKP-MJGOQNOKSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC001481820016 1182748299 /nfs/dbraw/zinc/74/82/99/1182748299.db2.gz IIGDHRBQAXGCRB-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC001481820016 1182748305 /nfs/dbraw/zinc/74/83/05/1182748305.db2.gz IIGDHRBQAXGCRB-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001481904178 1182917248 /nfs/dbraw/zinc/91/72/48/1182917248.db2.gz NOFGYGWNNJVHKR-IBGZPJMESA-N 2 1 337.483 2.241 10 30 EEEEMP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268499309 1183028879 /nfs/dbraw/zinc/02/88/79/1183028879.db2.gz JKHCJPIDRNMKBK-AWEZNQCLSA-N 2 1 346.313 2.208 10 30 EEEEMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001482046185 1183224705 /nfs/dbraw/zinc/22/47/05/1183224705.db2.gz REBROMFHMSUBRL-KRWDZBQOSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC001268798768 1183719433 /nfs/dbraw/zinc/71/94/33/1183719433.db2.gz NMRODZPHIKCBSC-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC001268798768 1183719437 /nfs/dbraw/zinc/71/94/37/1183719437.db2.gz NMRODZPHIKCBSC-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269472243 1184292326 /nfs/dbraw/zinc/29/23/26/1184292326.db2.gz YFQYFLMIHBPSRF-OTWHNJEPSA-N 2 1 329.488 2.392 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001271424346 1186210001 /nfs/dbraw/zinc/21/00/01/1186210001.db2.gz CZLXSAXCBVOMDG-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001271772094 1186473577 /nfs/dbraw/zinc/47/35/77/1186473577.db2.gz JYWGLNLVWXGUNL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001271772094 1186473580 /nfs/dbraw/zinc/47/35/80/1186473580.db2.gz JYWGLNLVWXGUNL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001271772094 1186473582 /nfs/dbraw/zinc/47/35/82/1186473582.db2.gz JYWGLNLVWXGUNL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507153 /nfs/dbraw/zinc/50/71/53/1187507153.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507155 /nfs/dbraw/zinc/50/71/55/1187507155.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507158 /nfs/dbraw/zinc/50/71/58/1187507158.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482888363 1187814444 /nfs/dbraw/zinc/81/44/44/1187814444.db2.gz JKZFCZCQAGNQDT-GDBMZVCRSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001670984511 1193538336 /nfs/dbraw/zinc/53/83/36/1193538336.db2.gz AGURYKSEOMJSAD-HXUWFJFHSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001670984511 1193538338 /nfs/dbraw/zinc/53/83/38/1193538338.db2.gz AGURYKSEOMJSAD-HXUWFJFHSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001670984511 1193538340 /nfs/dbraw/zinc/53/83/40/1193538340.db2.gz AGURYKSEOMJSAD-HXUWFJFHSA-N 2 1 345.531 2.443 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001483967979 1191135601 /nfs/dbraw/zinc/13/56/01/1191135601.db2.gz RGCAWLIHJQIPHO-ROUUACIJSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001483972633 1191136730 /nfs/dbraw/zinc/13/67/30/1191136730.db2.gz WKFZCLBEMABAJC-UHFFFAOYSA-N 2 1 337.508 2.036 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001484391008 1191325504 /nfs/dbraw/zinc/32/55/04/1191325504.db2.gz HHQBUQRMJKPLEZ-FKSLSLAPSA-N 2 1 331.504 2.242 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461300 1191365514 /nfs/dbraw/zinc/36/55/14/1191365514.db2.gz AJJKURYFFDPCAK-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461300 1191365516 /nfs/dbraw/zinc/36/55/16/1191365516.db2.gz AJJKURYFFDPCAK-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)cc1 ZINC001484745418 1191496679 /nfs/dbraw/zinc/49/66/79/1191496679.db2.gz FQZROPLSNQKCKT-FQEVSTJZSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001484745418 1191496680 /nfs/dbraw/zinc/49/66/80/1191496680.db2.gz FQZROPLSNQKCKT-FQEVSTJZSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001484745418 1191496681 /nfs/dbraw/zinc/49/66/81/1191496681.db2.gz FQZROPLSNQKCKT-FQEVSTJZSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001484745418 1191496682 /nfs/dbraw/zinc/49/66/82/1191496682.db2.gz FQZROPLSNQKCKT-FQEVSTJZSA-N 2 1 341.499 2.373 10 30 EEEEMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484820793 1191540137 /nfs/dbraw/zinc/54/01/37/1191540137.db2.gz FSMKXNBXLOWNFY-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485476445 1191804928 /nfs/dbraw/zinc/80/49/28/1191804928.db2.gz LKKXACCQJKPSCL-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001485476445 1191804930 /nfs/dbraw/zinc/80/49/30/1191804930.db2.gz LKKXACCQJKPSCL-IRXDYDNUSA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001486234969 1193787556 /nfs/dbraw/zinc/78/75/56/1193787556.db2.gz PFZOCKDTVROQJZ-ZWKOTPCHSA-N 2 1 331.504 2.243 10 30 EEEEMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001274863587 1205192129 /nfs/dbraw/zinc/19/21/29/1205192129.db2.gz YPKFVKDWNMKIAG-SFHVURJKSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000900574218 1234504830 /nfs/dbraw/zinc/50/48/30/1234504830.db2.gz PTDOQZVBKKUTHI-KRWDZBQOSA-N 2 1 345.487 2.408 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264549868 1322730003 /nfs/dbraw/zinc/73/00/03/1322730003.db2.gz UTLDDDIDIKBBIS-GGPKGHCWSA-N 2 1 345.531 2.491 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001264623973 1322753449 /nfs/dbraw/zinc/75/34/49/1322753449.db2.gz WEZQHRFVHBZLAA-ZCNNSNEGSA-N 2 1 341.499 2.347 10 30 EEEEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265000680 1322846573 /nfs/dbraw/zinc/84/65/73/1322846573.db2.gz AYMYBYXVEUGYJG-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001265073091 1322907688 /nfs/dbraw/zinc/90/76/88/1322907688.db2.gz PTLXSGAUSRYCEL-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001265073091 1322907694 /nfs/dbraw/zinc/90/76/94/1322907694.db2.gz PTLXSGAUSRYCEL-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001265368676 1323102418 /nfs/dbraw/zinc/10/24/18/1323102418.db2.gz VXTMPYQHGBQKFZ-RTBURBONSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265622046 1323274585 /nfs/dbraw/zinc/27/45/85/1323274585.db2.gz VRFGBDLRTYELLA-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001265673240 1323313031 /nfs/dbraw/zinc/31/30/31/1323313031.db2.gz ASBKBIKUWXJNGJ-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001265673240 1323313038 /nfs/dbraw/zinc/31/30/38/1323313038.db2.gz ASBKBIKUWXJNGJ-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206048287 1323378470 /nfs/dbraw/zinc/37/84/70/1323378470.db2.gz QLVFJEZMSAQENG-AWEZNQCLSA-N 2 1 345.434 2.176 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206048287 1323378463 /nfs/dbraw/zinc/37/84/63/1323378463.db2.gz QLVFJEZMSAQENG-AWEZNQCLSA-N 2 1 345.434 2.176 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC001265864562 1323439124 /nfs/dbraw/zinc/43/91/24/1323439124.db2.gz JRRLDMXTFVIQQX-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001265864562 1323439126 /nfs/dbraw/zinc/43/91/26/1323439126.db2.gz JRRLDMXTFVIQQX-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(Cl)c1 ZINC001265864562 1323439130 /nfs/dbraw/zinc/43/91/30/1323439130.db2.gz JRRLDMXTFVIQQX-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(Cl)c1 ZINC001265864562 1323439134 /nfs/dbraw/zinc/43/91/34/1323439134.db2.gz JRRLDMXTFVIQQX-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266232208 1323812558 /nfs/dbraw/zinc/81/25/58/1323812558.db2.gz UNTUJZIFWTZACY-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266232208 1323812566 /nfs/dbraw/zinc/81/25/66/1323812566.db2.gz UNTUJZIFWTZACY-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266232208 1323812575 /nfs/dbraw/zinc/81/25/75/1323812575.db2.gz UNTUJZIFWTZACY-RTBURBONSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266232207 1323813495 /nfs/dbraw/zinc/81/34/95/1323813495.db2.gz UNTUJZIFWTZACY-RBUKOAKNSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001266232207 1323813504 /nfs/dbraw/zinc/81/35/04/1323813504.db2.gz UNTUJZIFWTZACY-RBUKOAKNSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001266232207 1323813508 /nfs/dbraw/zinc/81/35/08/1323813508.db2.gz UNTUJZIFWTZACY-RBUKOAKNSA-N 2 1 333.520 2.493 10 30 EEEEMP CC[C@H](C(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001279581343 1323945956 /nfs/dbraw/zinc/94/59/56/1323945956.db2.gz DHQWSXOHZLQECB-HXUWFJFHSA-N 2 1 339.483 2.127 10 30 EEEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964351 1325857429 /nfs/dbraw/zinc/85/74/29/1325857429.db2.gz GYLNXTFFDXYMGU-MRXNPFEDSA-N 2 1 325.472 2.167 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001283332338 1326015146 /nfs/dbraw/zinc/01/51/46/1326015146.db2.gz XVOSXMKLNOMXLS-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001283332338 1326015147 /nfs/dbraw/zinc/01/51/47/1326015147.db2.gz XVOSXMKLNOMXLS-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001283332338 1326015148 /nfs/dbraw/zinc/01/51/48/1326015148.db2.gz XVOSXMKLNOMXLS-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001316924531 1331991267 /nfs/dbraw/zinc/99/12/67/1331991267.db2.gz VJYLWKOOBUVIQJ-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001316924531 1331991268 /nfs/dbraw/zinc/99/12/68/1331991268.db2.gz VJYLWKOOBUVIQJ-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437635 1332534313 /nfs/dbraw/zinc/53/43/13/1332534313.db2.gz RWRWAFCBCBXLRE-LJQANCHMSA-N 2 1 345.487 2.097 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318861389 1332613415 /nfs/dbraw/zinc/61/34/15/1332613415.db2.gz SGQYVORYQWDQPL-HXUWFJFHSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318861389 1332613420 /nfs/dbraw/zinc/61/34/20/1332613420.db2.gz SGQYVORYQWDQPL-HXUWFJFHSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001319038668 1332640243 /nfs/dbraw/zinc/64/02/43/1332640243.db2.gz SYWKNQMZGXJGJI-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320550505 1332908173 /nfs/dbraw/zinc/90/81/73/1332908173.db2.gz XOJFSNFHMOYPES-GJZGRUSLSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001321992887 1333192337 /nfs/dbraw/zinc/19/23/37/1333192337.db2.gz ZHSLGYKYXDERBC-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001323542227 1333485517 /nfs/dbraw/zinc/48/55/17/1333485517.db2.gz NHHJERVHNCKWBV-GOSISDBHSA-N 2 1 325.472 2.404 10 30 EEEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001324645196 1333730431 /nfs/dbraw/zinc/73/04/31/1333730431.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645196 1333730435 /nfs/dbraw/zinc/73/04/35/1333730435.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645196 1333730438 /nfs/dbraw/zinc/73/04/38/1333730438.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001325056387 1333820598 /nfs/dbraw/zinc/82/05/98/1333820598.db2.gz ZANYNGZVMAWAND-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325056387 1333820601 /nfs/dbraw/zinc/82/06/01/1333820601.db2.gz ZANYNGZVMAWAND-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325056387 1333820603 /nfs/dbraw/zinc/82/06/03/1333820603.db2.gz ZANYNGZVMAWAND-JKSUJKDBSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001325895525 1333986842 /nfs/dbraw/zinc/98/68/42/1333986842.db2.gz APSLOFJDRLGUGJ-QYZOEREBSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001325895525 1333986846 /nfs/dbraw/zinc/98/68/46/1333986846.db2.gz APSLOFJDRLGUGJ-QYZOEREBSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001325895525 1333986849 /nfs/dbraw/zinc/98/68/49/1333986849.db2.gz APSLOFJDRLGUGJ-QYZOEREBSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001325895525 1333986852 /nfs/dbraw/zinc/98/68/52/1333986852.db2.gz APSLOFJDRLGUGJ-QYZOEREBSA-N 2 1 349.494 2.289 10 30 EEEEMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001326467127 1334099408 /nfs/dbraw/zinc/09/94/08/1334099408.db2.gz FJSQZIKVQUMJHE-GPMSIDNRSA-N 2 1 327.472 2.317 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001327035043 1334208374 /nfs/dbraw/zinc/20/83/74/1334208374.db2.gz NBYJCJQQHBMSNJ-MSOLQXFVSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001328485809 1334466376 /nfs/dbraw/zinc/46/63/76/1334466376.db2.gz NPEAUNAAHOLXNK-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001328485809 1334466377 /nfs/dbraw/zinc/46/63/77/1334466377.db2.gz NPEAUNAAHOLXNK-MSOLQXFVSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546236 1342208771 /nfs/dbraw/zinc/20/87/71/1342208771.db2.gz QCSNYSXXPQYPJO-KRWDZBQOSA-N 2 1 339.911 2.395 10 30 EEEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566739051 1342618862 /nfs/dbraw/zinc/61/88/62/1342618862.db2.gz TZXANFUGKDPBRA-INIZCTEOSA-N 2 1 348.491 2.486 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001566739051 1342618866 /nfs/dbraw/zinc/61/88/66/1342618866.db2.gz TZXANFUGKDPBRA-INIZCTEOSA-N 2 1 348.491 2.486 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001566909560 1342650624 /nfs/dbraw/zinc/65/06/24/1342650624.db2.gz ZXRTZNDCSPQUFX-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC#Cc3ccccc3)CC2)C1 ZINC001566991144 1342674534 /nfs/dbraw/zinc/67/45/34/1342674534.db2.gz JRTIQWXYTKESGE-XEVCZEQESA-N 2 1 339.483 2.007 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570215562 1343032846 /nfs/dbraw/zinc/03/28/46/1343032846.db2.gz IABISECVQXGFOH-FQEVSTJZSA-N 2 1 341.499 2.160 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001570215562 1343032849 /nfs/dbraw/zinc/03/28/49/1343032849.db2.gz IABISECVQXGFOH-FQEVSTJZSA-N 2 1 341.499 2.160 10 30 EEEEMP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001570924776 1343141209 /nfs/dbraw/zinc/14/12/09/1343141209.db2.gz TWMKFAQDPZGFIP-NNIGNNQHSA-N 2 1 333.520 2.367 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001570924776 1343141211 /nfs/dbraw/zinc/14/12/11/1343141211.db2.gz TWMKFAQDPZGFIP-NNIGNNQHSA-N 2 1 333.520 2.367 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001570924776 1343141214 /nfs/dbraw/zinc/14/12/14/1343141214.db2.gz TWMKFAQDPZGFIP-NNIGNNQHSA-N 2 1 333.520 2.367 10 30 EEEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001676885763 1357232312 /nfs/dbraw/zinc/23/23/12/1357232312.db2.gz DLSWPOMSVOCUQN-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001676885763 1357232314 /nfs/dbraw/zinc/23/23/14/1357232314.db2.gz DLSWPOMSVOCUQN-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001676885764 1357232342 /nfs/dbraw/zinc/23/23/42/1357232342.db2.gz DLSWPOMSVOCUQN-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001676885764 1357232343 /nfs/dbraw/zinc/23/23/43/1357232343.db2.gz DLSWPOMSVOCUQN-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC001677467010 1357335989 /nfs/dbraw/zinc/33/59/89/1357335989.db2.gz CIVAVOWCUNSXSF-UHFFFAOYSA-N 2 1 342.487 2.391 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001657101805 1354325798 /nfs/dbraw/zinc/32/57/98/1354325798.db2.gz HVFZKJXNWWWHBU-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101805 1354325803 /nfs/dbraw/zinc/32/58/03/1354325803.db2.gz HVFZKJXNWWWHBU-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101805 1354325805 /nfs/dbraw/zinc/32/58/05/1354325805.db2.gz HVFZKJXNWWWHBU-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664863546 1355245963 /nfs/dbraw/zinc/24/59/63/1355245963.db2.gz FBMWJXCURFUVQE-UXHICEINSA-N 2 1 341.499 2.453 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664863546 1355245966 /nfs/dbraw/zinc/24/59/66/1355245966.db2.gz FBMWJXCURFUVQE-UXHICEINSA-N 2 1 341.499 2.453 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001668092143 1355868620 /nfs/dbraw/zinc/86/86/20/1355868620.db2.gz KASGYBGSXGFOOM-OAHLLOKOSA-N 2 1 328.460 2.027 10 30 EEEEMP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001668426372 1355939099 /nfs/dbraw/zinc/93/90/99/1355939099.db2.gz HYKRYYJUMWSQSD-CQSZACIVSA-N 2 1 346.313 2.206 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001673013733 1356631861 /nfs/dbraw/zinc/63/18/61/1356631861.db2.gz XDLRVHBIIWNFQI-INIZCTEOSA-N 2 1 330.476 2.471 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001673450846 1356692411 /nfs/dbraw/zinc/69/24/11/1356692411.db2.gz ZPPIGDPRRPVZQU-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001673450846 1356692414 /nfs/dbraw/zinc/69/24/14/1356692414.db2.gz ZPPIGDPRRPVZQU-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001673450846 1356692417 /nfs/dbraw/zinc/69/24/17/1356692417.db2.gz ZPPIGDPRRPVZQU-HXUWFJFHSA-N 2 1 341.499 2.303 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481687 1356844264 /nfs/dbraw/zinc/84/42/64/1356844264.db2.gz YLYXBTQTGZPITD-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674481687 1356844266 /nfs/dbraw/zinc/84/42/66/1356844266.db2.gz YLYXBTQTGZPITD-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674481687 1356844270 /nfs/dbraw/zinc/84/42/70/1356844270.db2.gz YLYXBTQTGZPITD-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCc1ccccc1 ZINC001674943765 1356915159 /nfs/dbraw/zinc/91/51/59/1356915159.db2.gz ODRXRMRNQNSQCP-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCc1ccccc1 ZINC001674943765 1356915160 /nfs/dbraw/zinc/91/51/60/1356915160.db2.gz ODRXRMRNQNSQCP-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC001674943765 1356915164 /nfs/dbraw/zinc/91/51/64/1356915164.db2.gz ODRXRMRNQNSQCP-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCc1ccccc1 ZINC001674943765 1356915166 /nfs/dbraw/zinc/91/51/66/1356915166.db2.gz ODRXRMRNQNSQCP-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756695 779265660 /nfs/dbraw/zinc/26/56/60/779265660.db2.gz GKYGINZRQDMRPG-KFWWJZLASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756695 779265663 /nfs/dbraw/zinc/26/56/63/779265663.db2.gz GKYGINZRQDMRPG-KFWWJZLASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756695 779265668 /nfs/dbraw/zinc/26/56/68/779265668.db2.gz GKYGINZRQDMRPG-KFWWJZLASA-N 2 1 327.900 2.296 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756695 779265676 /nfs/dbraw/zinc/26/56/76/779265676.db2.gz GKYGINZRQDMRPG-KFWWJZLASA-N 2 1 327.900 2.296 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971847 779594416 /nfs/dbraw/zinc/59/44/16/779594416.db2.gz DPEVNCKCHVORNV-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971847 779594419 /nfs/dbraw/zinc/59/44/19/779594419.db2.gz DPEVNCKCHVORNV-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971847 779594424 /nfs/dbraw/zinc/59/44/24/779594424.db2.gz DPEVNCKCHVORNV-ZWKOTPCHSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1csc(C)c1 ZINC001566462454 1125622808 /nfs/dbraw/zinc/62/28/08/1125622808.db2.gz VPPVNIUORUSNGL-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1csc(C)c1 ZINC001566462454 1125622809 /nfs/dbraw/zinc/62/28/09/1125622809.db2.gz VPPVNIUORUSNGL-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1csc(C)c1 ZINC001566462454 1125622812 /nfs/dbraw/zinc/62/28/12/1125622812.db2.gz VPPVNIUORUSNGL-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1csc(C)c1 ZINC001566462454 1125622814 /nfs/dbraw/zinc/62/28/14/1125622814.db2.gz VPPVNIUORUSNGL-KRWDZBQOSA-N 2 1 333.501 2.092 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438300414 1090780188 /nfs/dbraw/zinc/78/01/88/1090780188.db2.gz PFFVLZYNWCXROA-KBRIMQKVSA-N 2 1 346.450 2.022 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310936 1090789575 /nfs/dbraw/zinc/78/95/75/1090789575.db2.gz NCTSQWADWLEMBX-RTBURBONSA-N 2 1 342.487 2.417 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445660129 1091448249 /nfs/dbraw/zinc/44/82/49/1091448249.db2.gz VWLMMWYMIPUPID-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001439895344 1092955017 /nfs/dbraw/zinc/95/50/17/1092955017.db2.gz XFUCGQYEUYVUIL-DOTOQJQBSA-N 2 1 327.900 2.442 10 30 EEEEMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001440380427 1093549857 /nfs/dbraw/zinc/54/98/57/1093549857.db2.gz BPYLHNSTTGDNBC-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001449004021 1094002353 /nfs/dbraw/zinc/00/23/53/1094002353.db2.gz DDVMEUCXHSKJQO-QUCCMNQESA-N 2 1 340.471 2.123 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085540 1099637568 /nfs/dbraw/zinc/63/75/68/1099637568.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480085540 1099637574 /nfs/dbraw/zinc/63/75/74/1099637574.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480085540 1099637582 /nfs/dbraw/zinc/63/75/82/1099637582.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001480481221 1100289939 /nfs/dbraw/zinc/28/99/39/1100289939.db2.gz WOZSXIJCPZLZAW-QUCCMNQESA-N 2 1 341.499 2.304 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001480481221 1100289947 /nfs/dbraw/zinc/28/99/47/1100289947.db2.gz WOZSXIJCPZLZAW-QUCCMNQESA-N 2 1 341.499 2.304 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494146808 1103601313 /nfs/dbraw/zinc/60/13/13/1103601313.db2.gz CMMGUWKSDMPXSN-KRWDZBQOSA-N 2 1 329.488 2.371 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001498561039 1107724347 /nfs/dbraw/zinc/72/43/47/1107724347.db2.gz XWPJZCHJEDXZQR-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001493569239 1108333631 /nfs/dbraw/zinc/33/36/31/1108333631.db2.gz IYHQDOFIUWGPMD-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001467727532 1110462512 /nfs/dbraw/zinc/46/25/12/1110462512.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 2 1 344.503 2.260 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001467727532 1110462513 /nfs/dbraw/zinc/46/25/13/1110462513.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 2 1 344.503 2.260 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001467727532 1110462514 /nfs/dbraw/zinc/46/25/14/1110462514.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 2 1 344.503 2.260 10 30 EEEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001505397007 1113935019 /nfs/dbraw/zinc/93/50/19/1113935019.db2.gz ZMQYMTAJIZODBQ-IBGZPJMESA-N 2 1 333.520 2.465 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001505850309 1114232487 /nfs/dbraw/zinc/23/24/87/1114232487.db2.gz RDQMKEPYKGLSDZ-UHFFFAOYSA-N 2 1 344.503 2.473 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001506384962 1114588632 /nfs/dbraw/zinc/58/86/32/1114588632.db2.gz FWAQNZRRSJEXNT-HNNXBMFYSA-N 2 1 326.872 2.407 10 30 EEEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001506477333 1114636890 /nfs/dbraw/zinc/63/68/90/1114636890.db2.gz BRWPNRMWSARWBM-PKOBYXMFSA-N 2 1 344.503 2.240 10 30 EEEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001506477332 1114637078 /nfs/dbraw/zinc/63/70/78/1114637078.db2.gz BRWPNRMWSARWBM-MJGOQNOKSA-N 2 1 344.503 2.240 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCC=C)CC2)CC1 ZINC001508230883 1115455524 /nfs/dbraw/zinc/45/55/24/1115455524.db2.gz UZUJGQJTWKRTKS-UHFFFAOYSA-N 2 1 329.488 2.046 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(CF)cc1 ZINC001567963192 1124207469 /nfs/dbraw/zinc/20/74/69/1124207469.db2.gz WSGREAKXUATIHB-MOPGFXCFSA-N 2 1 345.462 2.238 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(CF)cc1 ZINC001567963192 1124207473 /nfs/dbraw/zinc/20/74/73/1124207473.db2.gz WSGREAKXUATIHB-MOPGFXCFSA-N 2 1 345.462 2.238 10 30 EEEEMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCC[NH+]1C ZINC000329166357 465253983 /nfs/dbraw/zinc/25/39/83/465253983.db2.gz HSBLTSTYTDXLHW-JCGIZDLHSA-N 2 1 345.491 2.386 10 30 EEEEMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCC[N@@H+]1C ZINC000329166357 465253988 /nfs/dbraw/zinc/25/39/88/465253988.db2.gz HSBLTSTYTDXLHW-JCGIZDLHSA-N 2 1 345.491 2.386 10 30 EEEEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C#N ZINC000179213185 464082981 /nfs/dbraw/zinc/08/29/81/464082981.db2.gz CVALNGNEKOULOW-HNNXBMFYSA-N 2 1 331.460 2.091 10 30 EEEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374100295 467001594 /nfs/dbraw/zinc/00/15/94/467001594.db2.gz SFPAGUUYNOXVDI-IBGZPJMESA-N 2 1 348.535 2.189 10 30 EEEEMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000425538932 467106964 /nfs/dbraw/zinc/10/69/64/467106964.db2.gz SURSIJKZSJICRW-OAHLLOKOSA-N 2 1 340.471 2.294 10 30 EEEEMP C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943366 468720138 /nfs/dbraw/zinc/72/01/38/468720138.db2.gz ZQFSNESPGWQQEF-SJORKVTESA-N 2 1 344.503 2.125 10 30 EEEEMP C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943366 468720142 /nfs/dbraw/zinc/72/01/42/468720142.db2.gz ZQFSNESPGWQQEF-SJORKVTESA-N 2 1 344.503 2.125 10 30 EEEEMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598961090 469068845 /nfs/dbraw/zinc/06/88/45/469068845.db2.gz IBBXCDOUOZULOD-QGZVFWFLSA-N 2 1 327.476 2.384 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000596163330 469182112 /nfs/dbraw/zinc/18/21/12/469182112.db2.gz KNGRAFKVRQSUIT-HOTGVXAUSA-N 2 1 345.491 2.190 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000596163330 469182117 /nfs/dbraw/zinc/18/21/17/469182117.db2.gz KNGRAFKVRQSUIT-HOTGVXAUSA-N 2 1 345.491 2.190 10 30 EEEEMP C[N@@H+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302799 469200723 /nfs/dbraw/zinc/20/07/23/469200723.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302799 469200728 /nfs/dbraw/zinc/20/07/28/469200728.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 2 1 327.472 2.495 10 30 EEEEMP C[NH+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302799 469200735 /nfs/dbraw/zinc/20/07/35/469200735.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 2 1 327.472 2.495 10 30 EEEEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599388686 469239488 /nfs/dbraw/zinc/23/94/88/469239488.db2.gz MOTJOHDLUWPJQO-QGZVFWFLSA-N 2 1 348.491 2.229 10 30 EEEEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599388686 469239493 /nfs/dbraw/zinc/23/94/93/469239493.db2.gz MOTJOHDLUWPJQO-QGZVFWFLSA-N 2 1 348.491 2.229 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000924038317 675042008 /nfs/dbraw/zinc/04/20/08/675042008.db2.gz ZZBXWBVGYTVANV-FDYSRKEFSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000924038317 675042011 /nfs/dbraw/zinc/04/20/11/675042011.db2.gz ZZBXWBVGYTVANV-FDYSRKEFSA-N 2 1 346.519 2.180 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262022508 682877775 /nfs/dbraw/zinc/87/77/75/682877775.db2.gz ZBIZJHYAFOWEPY-QXDIGNSFSA-N 2 1 348.535 2.228 10 30 EEEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCc2ccccc2C1 ZINC000262419756 685857042 /nfs/dbraw/zinc/85/70/42/685857042.db2.gz DWAUBJCHCAMUDC-PKOBYXMFSA-N 2 1 346.544 2.146 10 30 EEEEMP C[NH+]=C(NCc1ccon1)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000095974951 692892939 /nfs/dbraw/zinc/89/29/39/692892939.db2.gz JMNHYXFXVFPSGP-SFHVURJKSA-N 2 1 341.459 2.047 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001266353502 1176380243 /nfs/dbraw/zinc/38/02/43/1176380243.db2.gz WJQLEHOGYKOODK-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001266353502 1176380250 /nfs/dbraw/zinc/38/02/50/1176380250.db2.gz WJQLEHOGYKOODK-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001772516028 1176529768 /nfs/dbraw/zinc/52/97/68/1176529768.db2.gz CQINPZJWLZMGAF-CYBMUJFWSA-N 2 1 333.423 2.080 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001772516028 1176529775 /nfs/dbraw/zinc/52/97/75/1176529775.db2.gz CQINPZJWLZMGAF-CYBMUJFWSA-N 2 1 333.423 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001691350036 1177946104 /nfs/dbraw/zinc/94/61/04/1177946104.db2.gz KSUYVECOKPCADH-KRWDZBQOSA-N 2 1 349.425 2.270 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001691350036 1177946109 /nfs/dbraw/zinc/94/61/09/1177946109.db2.gz KSUYVECOKPCADH-KRWDZBQOSA-N 2 1 349.425 2.270 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427976 1178322816 /nfs/dbraw/zinc/32/28/16/1178322816.db2.gz HIQJZJWTKOYOFS-QRQLOZEOSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427976 1178322824 /nfs/dbraw/zinc/32/28/24/1178322824.db2.gz HIQJZJWTKOYOFS-QRQLOZEOSA-N 2 1 331.504 2.099 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947515 1178621835 /nfs/dbraw/zinc/62/18/35/1178621835.db2.gz YXLBEMQBGNIHNO-JKSUJKDBSA-N 2 1 327.488 2.459 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267356213 1178817414 /nfs/dbraw/zinc/81/74/14/1178817414.db2.gz CHXZPACWYKKYMB-OALUTQOASA-N 2 1 327.472 2.330 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001267602629 1179664143 /nfs/dbraw/zinc/66/41/43/1179664143.db2.gz HTCFEZJRBJQYSH-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001267602629 1179664145 /nfs/dbraw/zinc/66/41/45/1179664145.db2.gz HTCFEZJRBJQYSH-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001267602629 1179664148 /nfs/dbraw/zinc/66/41/48/1179664148.db2.gz HTCFEZJRBJQYSH-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369372 1181145199 /nfs/dbraw/zinc/14/51/99/1181145199.db2.gz OWQCGWDRNWUDHC-YTQUADARSA-N 2 1 327.472 2.187 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109547 1183339824 /nfs/dbraw/zinc/33/98/24/1183339824.db2.gz GLDULSWLRYQVLG-HKUYNNGSSA-N 2 1 345.531 2.396 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109547 1183339831 /nfs/dbraw/zinc/33/98/31/1183339831.db2.gz GLDULSWLRYQVLG-HKUYNNGSSA-N 2 1 345.531 2.396 10 30 EEEEMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001269743091 1184581933 /nfs/dbraw/zinc/58/19/33/1184581933.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001269743091 1184581938 /nfs/dbraw/zinc/58/19/38/1184581938.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001269743091 1184581943 /nfs/dbraw/zinc/58/19/43/1184581943.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346004 1185035256 /nfs/dbraw/zinc/03/52/56/1185035256.db2.gz WGHGAYVBCIWUFH-MSOLQXFVSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001270994123 1185794574 /nfs/dbraw/zinc/79/45/74/1185794574.db2.gz AZCCSPRKMSXYPZ-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001270994123 1185794580 /nfs/dbraw/zinc/79/45/80/1185794580.db2.gz AZCCSPRKMSXYPZ-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001271593235 1186329733 /nfs/dbraw/zinc/32/97/33/1186329733.db2.gz YCDUEPSXBPEBJG-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483226750 1189479039 /nfs/dbraw/zinc/47/90/39/1189479039.db2.gz HYEFHUKMZPWXCW-BBRMVZONSA-N 2 1 334.489 2.087 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483818261 1191046907 /nfs/dbraw/zinc/04/69/07/1191046907.db2.gz HNVZYKFSPGLDAO-IBGZPJMESA-N 2 1 333.520 2.299 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987674 1191143449 /nfs/dbraw/zinc/14/34/49/1191143449.db2.gz ZIKDMHWSJBBUJT-SFHVURJKSA-N 2 1 331.504 2.221 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356289 1191316519 /nfs/dbraw/zinc/31/65/19/1191316519.db2.gz BYMKXGXNWWGGST-ICSRJNTNSA-N 2 1 341.499 2.205 10 30 EEEEMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001485006104 1191612361 /nfs/dbraw/zinc/61/23/61/1191612361.db2.gz JKDGXTYTXUGHFP-LJQANCHMSA-N 2 1 338.455 2.483 10 30 EEEEMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001485006104 1191612362 /nfs/dbraw/zinc/61/23/62/1191612362.db2.gz JKDGXTYTXUGHFP-LJQANCHMSA-N 2 1 338.455 2.483 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081583 1191650497 /nfs/dbraw/zinc/65/04/97/1191650497.db2.gz GBAZPRALBHTHNX-HZPDHXFCSA-N 2 1 327.900 2.251 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217476 1191689597 /nfs/dbraw/zinc/68/95/97/1191689597.db2.gz SCPAIUALYOQSTN-ZIAGYGMSSA-N 2 1 334.439 2.022 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353898 1199911848 /nfs/dbraw/zinc/91/18/48/1199911848.db2.gz WDHGABGYPMSJQP-JENIJYKNSA-N 2 1 347.890 2.437 10 30 EEEEMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000933739865 1207830943 /nfs/dbraw/zinc/83/09/43/1207830943.db2.gz ITXHTDSWRSJPNA-KDOFPFPSSA-N 2 1 346.862 2.424 10 30 EEEEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000933739865 1207830946 /nfs/dbraw/zinc/83/09/46/1207830946.db2.gz ITXHTDSWRSJPNA-KDOFPFPSSA-N 2 1 346.862 2.424 10 30 EEEEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000933739865 1207830949 /nfs/dbraw/zinc/83/09/49/1207830949.db2.gz ITXHTDSWRSJPNA-KDOFPFPSSA-N 2 1 346.862 2.424 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001273771146 1285326939 /nfs/dbraw/zinc/32/69/39/1285326939.db2.gz ABSDRLZYSDNANH-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886939 1292225843 /nfs/dbraw/zinc/22/58/43/1292225843.db2.gz ZZUMEGVNWIQBKE-HKUYNNGSSA-N 2 1 345.874 2.204 10 30 EEEEMP C[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886939 1292225848 /nfs/dbraw/zinc/22/58/48/1292225848.db2.gz ZZUMEGVNWIQBKE-HKUYNNGSSA-N 2 1 345.874 2.204 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001278157701 1306134954 /nfs/dbraw/zinc/13/49/54/1306134954.db2.gz TYZRIQKREZWVRW-UHFFFAOYSA-N 2 1 345.531 2.443 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001278169589 1306150193 /nfs/dbraw/zinc/15/01/93/1306150193.db2.gz OPQLRCRJYZVEIS-GOSISDBHSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001263997980 1322581062 /nfs/dbraw/zinc/58/10/62/1322581062.db2.gz LTAFUYRYIKRUSH-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001264993440 1322842356 /nfs/dbraw/zinc/84/23/56/1322842356.db2.gz MGBOQZYVKFSEJD-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001264993440 1322842359 /nfs/dbraw/zinc/84/23/59/1322842359.db2.gz MGBOQZYVKFSEJD-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001264993440 1322842364 /nfs/dbraw/zinc/84/23/64/1322842364.db2.gz MGBOQZYVKFSEJD-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308572 1323057885 /nfs/dbraw/zinc/05/78/85/1323057885.db2.gz VKLPIYSIMZGJQN-WBVHZDCISA-N 2 1 339.443 2.426 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308572 1323057890 /nfs/dbraw/zinc/05/78/90/1323057890.db2.gz VKLPIYSIMZGJQN-WBVHZDCISA-N 2 1 339.443 2.426 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265336293 1323084883 /nfs/dbraw/zinc/08/48/83/1323084883.db2.gz VPBRYXGLLZUBKY-MOPGFXCFSA-N 2 1 339.483 2.283 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001265811004 1323393185 /nfs/dbraw/zinc/39/31/85/1323393185.db2.gz KICVFZBZNGDUNZ-YJBOKZPZSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001280073156 1324075371 /nfs/dbraw/zinc/07/53/71/1324075371.db2.gz LRFLTVRORHHLHS-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001280073156 1324075377 /nfs/dbraw/zinc/07/53/77/1324075377.db2.gz LRFLTVRORHHLHS-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831784 1325800327 /nfs/dbraw/zinc/80/03/27/1325800327.db2.gz CKWAREBZBGVZPU-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831784 1325800328 /nfs/dbraw/zinc/80/03/28/1325800328.db2.gz CKWAREBZBGVZPU-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001283080901 1325912370 /nfs/dbraw/zinc/91/23/70/1325912370.db2.gz WKZGIDXRVWYAJF-ULQDDVLXSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C/CC)C(C)(C)C1 ZINC001284291512 1326490635 /nfs/dbraw/zinc/49/06/35/1326490635.db2.gz GYLUZPPQSZFGHE-VUOWKATKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC/C=C/CC)C(C)(C)C1 ZINC001284291512 1326490637 /nfs/dbraw/zinc/49/06/37/1326490637.db2.gz GYLUZPPQSZFGHE-VUOWKATKSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491934143 1330324585 /nfs/dbraw/zinc/32/45/85/1330324585.db2.gz HSRSGRWUPIEHNV-OAHLLOKOSA-N 2 1 334.464 2.239 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491934143 1330324591 /nfs/dbraw/zinc/32/45/91/1330324591.db2.gz HSRSGRWUPIEHNV-OAHLLOKOSA-N 2 1 334.464 2.239 10 30 EEEEMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083646 1330991342 /nfs/dbraw/zinc/99/13/42/1330991342.db2.gz MGEZPASFHDTEKR-LSDHHAIUSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CC)C2)CC1 ZINC001317994727 1332459610 /nfs/dbraw/zinc/45/96/10/1332459610.db2.gz WPKWSYJSZVRQQY-VOFKWLDRSA-N 2 1 331.504 2.269 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285714 1332675613 /nfs/dbraw/zinc/67/56/13/1332675613.db2.gz PHXZTEUTMJGZHL-AZUAARDMSA-N 2 1 341.499 2.254 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001319386406 1332693222 /nfs/dbraw/zinc/69/32/22/1332693222.db2.gz YFYPYLAHVTWGGO-UHFFFAOYSA-N 2 1 325.416 2.086 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919155 1332797862 /nfs/dbraw/zinc/79/78/62/1332797862.db2.gz SYVLBTUEJHCZAN-PMACEKPBSA-N 2 1 341.499 2.323 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919155 1332797864 /nfs/dbraw/zinc/79/78/64/1332797864.db2.gz SYVLBTUEJHCZAN-PMACEKPBSA-N 2 1 341.499 2.323 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001320444981 1332885219 /nfs/dbraw/zinc/88/52/19/1332885219.db2.gz DJBCIWBERRMCJE-CQSZACIVSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC001321875012 1333171964 /nfs/dbraw/zinc/17/19/64/1333171964.db2.gz AEPSXLNBYGCHKA-YJBOKZPZSA-N 2 1 347.890 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC001321875012 1333171966 /nfs/dbraw/zinc/17/19/66/1333171966.db2.gz AEPSXLNBYGCHKA-YJBOKZPZSA-N 2 1 347.890 2.074 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324412447 1333677589 /nfs/dbraw/zinc/67/75/89/1333677589.db2.gz AULZFXIBFNWANG-IEBWSBKVSA-N 2 1 331.504 2.362 10 30 EEEEMP CCCCCCCN1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001327325557 1334267631 /nfs/dbraw/zinc/26/76/31/1334267631.db2.gz BTJMTLIAHTZOPR-UHFFFAOYSA-N 2 1 348.491 2.075 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328080712 1334391360 /nfs/dbraw/zinc/39/13/60/1334391360.db2.gz HRUKDPZZJOTKSN-KRWDZBQOSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398885 /nfs/dbraw/zinc/39/88/85/1334398885.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398887 /nfs/dbraw/zinc/39/88/87/1334398887.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398889 /nfs/dbraw/zinc/39/88/89/1334398889.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398893 /nfs/dbraw/zinc/39/88/93/1334398893.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398895 /nfs/dbraw/zinc/39/88/95/1334398895.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 1 341.499 2.358 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001328749402 1334513626 /nfs/dbraw/zinc/51/36/26/1334513626.db2.gz LYWFHJRFFNVBEG-KRWDZBQOSA-N 2 1 339.443 2.380 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001328766847 1334517432 /nfs/dbraw/zinc/51/74/32/1334517432.db2.gz ZUOPKXWFFMYJPE-INIZCTEOSA-N 2 1 346.475 2.383 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001328766847 1334517438 /nfs/dbraw/zinc/51/74/38/1334517438.db2.gz ZUOPKXWFFMYJPE-INIZCTEOSA-N 2 1 346.475 2.383 10 30 EEEEMP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001330207672 1334803768 /nfs/dbraw/zinc/80/37/68/1334803768.db2.gz BIJPLVKOZUZTRO-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001330207672 1334803769 /nfs/dbraw/zinc/80/37/69/1334803769.db2.gz BIJPLVKOZUZTRO-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001330207672 1334803772 /nfs/dbraw/zinc/80/37/72/1334803772.db2.gz BIJPLVKOZUZTRO-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001331288444 1334991018 /nfs/dbraw/zinc/99/10/18/1334991018.db2.gz IIIDBQCYIFVNHX-OALUTQOASA-N 2 1 345.531 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001331288444 1334991022 /nfs/dbraw/zinc/99/10/22/1334991022.db2.gz IIIDBQCYIFVNHX-OALUTQOASA-N 2 1 345.531 2.347 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331289955 1334991342 /nfs/dbraw/zinc/99/13/42/1334991342.db2.gz OMOFFJPLVZDUSS-MOPGFXCFSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](F)CC)CC1 ZINC001502496289 1342198227 /nfs/dbraw/zinc/19/82/27/1342198227.db2.gz NVPZCMYHFOIJDC-IRXDYDNUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](F)CC)CC1 ZINC001502496289 1342198230 /nfs/dbraw/zinc/19/82/30/1342198230.db2.gz NVPZCMYHFOIJDC-IRXDYDNUSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001566693178 1342605004 /nfs/dbraw/zinc/60/50/04/1342605004.db2.gz PPNNZIZOVWWNFB-GOSISDBHSA-N 2 1 349.519 2.036 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967801 1342668746 /nfs/dbraw/zinc/66/87/46/1342668746.db2.gz WFZBBLDLDCEVFC-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001566967801 1342668749 /nfs/dbraw/zinc/66/87/49/1342668749.db2.gz WFZBBLDLDCEVFC-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566967801 1342668752 /nfs/dbraw/zinc/66/87/52/1342668752.db2.gz WFZBBLDLDCEVFC-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566967801 1342668755 /nfs/dbraw/zinc/66/87/55/1342668755.db2.gz WFZBBLDLDCEVFC-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001569575629 1342900307 /nfs/dbraw/zinc/90/03/07/1342900307.db2.gz YRLAJNZIJXGKFT-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001649440183 1353506074 /nfs/dbraw/zinc/50/60/74/1353506074.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001649440183 1353506077 /nfs/dbraw/zinc/50/60/77/1353506077.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001649440183 1353506080 /nfs/dbraw/zinc/50/60/80/1353506080.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001657452154 1354339745 /nfs/dbraw/zinc/33/97/45/1354339745.db2.gz APASHZZTLZSBOC-UHFFFAOYSA-N 2 1 333.439 2.465 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001657452154 1354339752 /nfs/dbraw/zinc/33/97/52/1354339752.db2.gz APASHZZTLZSBOC-UHFFFAOYSA-N 2 1 333.439 2.465 10 30 EEEEMP C[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194089 1354413725 /nfs/dbraw/zinc/41/37/25/1354413725.db2.gz CNAJIBCQDVCKAZ-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001660194089 1354413727 /nfs/dbraw/zinc/41/37/27/1354413727.db2.gz CNAJIBCQDVCKAZ-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001660194089 1354413731 /nfs/dbraw/zinc/41/37/31/1354413731.db2.gz CNAJIBCQDVCKAZ-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977030 1354731661 /nfs/dbraw/zinc/73/16/61/1354731661.db2.gz IWMBVIYYTVGGBX-MSOLQXFVSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996688 1354738815 /nfs/dbraw/zinc/73/88/15/1354738815.db2.gz OVXSLHSOEBVMCC-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001662809670 1354851888 /nfs/dbraw/zinc/85/18/88/1354851888.db2.gz VGFCXCLVFPXSRW-FQEVSTJZSA-N 2 1 341.499 2.189 10 30 EEEEMP CCC[N@H+](C)CC(=O)NCC[NH+](CC)CC#Cc1cccc(Cl)c1 ZINC001663447270 1354963359 /nfs/dbraw/zinc/96/33/59/1354963359.db2.gz CWBHAABKTZMURS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)CC#Cc1cccc(Cl)c1 ZINC001663447270 1354963361 /nfs/dbraw/zinc/96/33/61/1354963361.db2.gz CWBHAABKTZMURS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)CC#Cc1cccc(Cl)c1 ZINC001663447270 1354963367 /nfs/dbraw/zinc/96/33/67/1354963367.db2.gz CWBHAABKTZMURS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)CC#Cc1cccc(Cl)c1 ZINC001663447270 1354963368 /nfs/dbraw/zinc/96/33/68/1354963368.db2.gz CWBHAABKTZMURS-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001663777081 1355030569 /nfs/dbraw/zinc/03/05/69/1355030569.db2.gz GGANZUODGSWJFZ-UHFFFAOYSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCN(C(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CCCC)CC1 ZINC001671481750 1356347546 /nfs/dbraw/zinc/34/75/46/1356347546.db2.gz VAHJNEYBOFIQDU-UHFFFAOYSA-N 2 1 346.475 2.076 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538838 1356551092 /nfs/dbraw/zinc/55/10/92/1356551092.db2.gz VDKKAVSIVULOFP-MOPGFXCFSA-N 2 1 349.519 2.129 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001675360068 1356970403 /nfs/dbraw/zinc/97/04/03/1356970403.db2.gz RLIVWHLHSMIDCJ-YLJYHZDGSA-N 2 1 341.499 2.061 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001675642197 1357025740 /nfs/dbraw/zinc/02/57/40/1357025740.db2.gz GFKHXRXPPMZGLP-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001675642197 1357025745 /nfs/dbraw/zinc/02/57/45/1357025745.db2.gz GFKHXRXPPMZGLP-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940836888 779386845 /nfs/dbraw/zinc/38/68/45/779386845.db2.gz NWWZLEBIMOSSJY-KRWDZBQOSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940836889 779387030 /nfs/dbraw/zinc/38/70/30/779387030.db2.gz NWWZLEBIMOSSJY-QGZVFWFLSA-N 2 1 331.504 2.102 10 30 EEEEMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001437949099 1090546020 /nfs/dbraw/zinc/54/60/20/1090546020.db2.gz OITARJHAKAAIMB-RTBURBONSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439345650 1092052985 /nfs/dbraw/zinc/05/29/85/1092052985.db2.gz XQQCKJVFKZFCLD-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439345650 1092052993 /nfs/dbraw/zinc/05/29/93/1092052993.db2.gz XQQCKJVFKZFCLD-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439345650 1092053001 /nfs/dbraw/zinc/05/30/01/1092053001.db2.gz XQQCKJVFKZFCLD-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001439345650 1092053006 /nfs/dbraw/zinc/05/30/06/1092053006.db2.gz XQQCKJVFKZFCLD-KBXCAEBGSA-N 2 1 346.450 2.118 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cc(F)ccc2C#N)CCC1 ZINC001440335005 1093478790 /nfs/dbraw/zinc/47/87/90/1093478790.db2.gz WRHMEQDRCPTOSI-UHFFFAOYSA-N 2 1 346.450 2.168 10 30 EEEEMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440467477 1093691795 /nfs/dbraw/zinc/69/17/95/1093691795.db2.gz KAHQIYKNNJYRMW-OAHLLOKOSA-N 2 1 348.516 2.242 10 30 EEEEMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440467477 1093691801 /nfs/dbraw/zinc/69/18/01/1093691801.db2.gz KAHQIYKNNJYRMW-OAHLLOKOSA-N 2 1 348.516 2.242 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001441311277 1094764627 /nfs/dbraw/zinc/76/46/27/1094764627.db2.gz XRGRJYBNDHTRAG-CVEARBPZSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001441311277 1094764633 /nfs/dbraw/zinc/76/46/33/1094764633.db2.gz XRGRJYBNDHTRAG-CVEARBPZSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001441311277 1094764639 /nfs/dbraw/zinc/76/46/39/1094764639.db2.gz XRGRJYBNDHTRAG-CVEARBPZSA-N 2 1 327.900 2.394 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858982 1095958550 /nfs/dbraw/zinc/95/85/50/1095958550.db2.gz JSWODMZVJCHGLY-YOEHRIQHSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480096215 1099658666 /nfs/dbraw/zinc/65/86/66/1099658666.db2.gz OXAXZNTWYUHPRK-BBWFWOEESA-N 2 1 325.472 2.308 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001496770286 1101437115 /nfs/dbraw/zinc/43/71/15/1101437115.db2.gz QORSQPXQSHSOIK-GJZGRUSLSA-N 2 1 348.516 2.240 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001496770286 1101437120 /nfs/dbraw/zinc/43/71/20/1101437120.db2.gz QORSQPXQSHSOIK-GJZGRUSLSA-N 2 1 348.516 2.240 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001496770286 1101437125 /nfs/dbraw/zinc/43/71/25/1101437125.db2.gz QORSQPXQSHSOIK-GJZGRUSLSA-N 2 1 348.516 2.240 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001496770286 1101437133 /nfs/dbraw/zinc/43/71/33/1101437133.db2.gz QORSQPXQSHSOIK-GJZGRUSLSA-N 2 1 348.516 2.240 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996446 /nfs/dbraw/zinc/99/64/46/1102996446.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996454 /nfs/dbraw/zinc/99/64/54/1102996454.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996460 /nfs/dbraw/zinc/99/64/60/1102996460.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494158499 1103617919 /nfs/dbraw/zinc/61/79/19/1103617919.db2.gz AWUDAMIEVPNCAO-LJQANCHMSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730830 1106993294 /nfs/dbraw/zinc/99/32/94/1106993294.db2.gz MHDBCMYHEGPNJE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480730830 1106993304 /nfs/dbraw/zinc/99/33/04/1106993304.db2.gz MHDBCMYHEGPNJE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480730830 1106993314 /nfs/dbraw/zinc/99/33/14/1106993314.db2.gz MHDBCMYHEGPNJE-RTBURBONSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC001498307283 1107261542 /nfs/dbraw/zinc/26/15/42/1107261542.db2.gz XLDMZOWGRYRDAH-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001498307283 1107261548 /nfs/dbraw/zinc/26/15/48/1107261548.db2.gz XLDMZOWGRYRDAH-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CF)cc1 ZINC001498307283 1107261556 /nfs/dbraw/zinc/26/15/56/1107261556.db2.gz XLDMZOWGRYRDAH-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CF)cc1 ZINC001498307283 1107261559 /nfs/dbraw/zinc/26/15/59/1107261559.db2.gz XLDMZOWGRYRDAH-LPHOPBHVSA-N 2 1 345.462 2.190 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493061891 1107421166 /nfs/dbraw/zinc/42/11/66/1107421166.db2.gz GAQOXTYIFQPMHO-RTBURBONSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493061891 1107421173 /nfs/dbraw/zinc/42/11/73/1107421173.db2.gz GAQOXTYIFQPMHO-RTBURBONSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406951 1113671375 /nfs/dbraw/zinc/67/13/75/1113671375.db2.gz WUEBFKXNFMHSLU-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001503263421 1113882559 /nfs/dbraw/zinc/88/25/59/1113882559.db2.gz NKHXYCIXCCWQMZ-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001503263421 1113882564 /nfs/dbraw/zinc/88/25/64/1113882564.db2.gz NKHXYCIXCCWQMZ-FCEWJHQRSA-N 2 1 345.462 2.469 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001506861658 1114927846 /nfs/dbraw/zinc/92/78/46/1114927846.db2.gz WGMRPFPIWVDVEI-XHSDSOJGSA-N 2 1 339.911 2.440 10 30 EEEEMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939622 /nfs/dbraw/zinc/93/96/22/1114939622.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939626 /nfs/dbraw/zinc/93/96/26/1114939626.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939631 /nfs/dbraw/zinc/93/96/31/1114939631.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001506871619 1114942151 /nfs/dbraw/zinc/94/21/51/1114942151.db2.gz AHZVOMJBWNOROJ-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001507139678 1115129214 /nfs/dbraw/zinc/12/92/14/1115129214.db2.gz XIMFHMZOJWCCET-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001507969932 1115382341 /nfs/dbraw/zinc/38/23/41/1115382341.db2.gz MWDJRQABNSPOPI-INIZCTEOSA-N 2 1 336.480 2.437 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1C ZINC001568863457 1124888214 /nfs/dbraw/zinc/88/82/14/1124888214.db2.gz GRMLXZGHKMCBJI-XJDXJNMNSA-N 2 1 339.483 2.163 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1C ZINC001568863457 1124888222 /nfs/dbraw/zinc/88/82/22/1124888222.db2.gz GRMLXZGHKMCBJI-XJDXJNMNSA-N 2 1 339.483 2.163 10 30 EEEEMP CCC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000161348488 463424574 /nfs/dbraw/zinc/42/45/74/463424574.db2.gz MOBIPAWWDGASDT-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000161348488 463424576 /nfs/dbraw/zinc/42/45/76/463424576.db2.gz MOBIPAWWDGASDT-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000178300554 463876672 /nfs/dbraw/zinc/87/66/72/463876672.db2.gz FPMYORCUYOQXQK-KRWDZBQOSA-N 2 1 343.475 2.341 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000178300554 463876675 /nfs/dbraw/zinc/87/66/75/463876675.db2.gz FPMYORCUYOQXQK-KRWDZBQOSA-N 2 1 343.475 2.341 10 30 EEEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000261925881 463901091 /nfs/dbraw/zinc/90/10/91/463901091.db2.gz CEQHKFADAZOZMC-QGZVFWFLSA-N 2 1 331.460 2.071 10 30 EEEEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C#N ZINC000179213196 464082853 /nfs/dbraw/zinc/08/28/53/464082853.db2.gz CVALNGNEKOULOW-OAHLLOKOSA-N 2 1 331.460 2.091 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441088 468589339 /nfs/dbraw/zinc/58/93/39/468589339.db2.gz MMDSUNHUAZVVTO-RTBURBONSA-N 2 1 342.487 2.426 10 30 EEEEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722352 468634945 /nfs/dbraw/zinc/63/49/45/468634945.db2.gz RJKGVHFSUDVLAQ-LPHOPBHVSA-N 2 1 343.471 2.052 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722352 468634950 /nfs/dbraw/zinc/63/49/50/468634950.db2.gz RJKGVHFSUDVLAQ-LPHOPBHVSA-N 2 1 343.471 2.052 10 30 EEEEMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000089062076 526389069 /nfs/dbraw/zinc/38/90/69/526389069.db2.gz OWASONRWMWHTQT-CQSZACIVSA-N 2 1 335.521 2.442 10 30 EEEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485815306 1191979212 /nfs/dbraw/zinc/97/92/12/1191979212.db2.gz HXSMUIWBFRUGPB-GOSISDBHSA-N 2 1 333.520 2.489 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001266725581 1177310401 /nfs/dbraw/zinc/31/04/01/1177310401.db2.gz MDRRXEUOHIULSB-HDICACEKSA-N 2 1 347.890 2.270 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939299 1177852455 /nfs/dbraw/zinc/85/24/55/1177852455.db2.gz FBMJXBLIUBKXPD-PKOBYXMFSA-N 2 1 327.472 2.005 10 30 EEEEMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266974315 1177954813 /nfs/dbraw/zinc/95/48/13/1177954813.db2.gz DCXCSGOMTSYQEL-KRWDZBQOSA-N 2 1 338.455 2.153 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001267416083 1178988411 /nfs/dbraw/zinc/98/84/11/1178988411.db2.gz CCHYMZXKDKBVRB-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP C#CCC[N@@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001481355727 1181109593 /nfs/dbraw/zinc/10/95/93/1181109593.db2.gz OZCJXNKSUTUOGQ-UHFFFAOYSA-N 2 1 339.443 2.121 10 30 EEEEMP C#CCC[N@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001481355727 1181109603 /nfs/dbraw/zinc/10/96/03/1181109603.db2.gz OZCJXNKSUTUOGQ-UHFFFAOYSA-N 2 1 339.443 2.121 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494607 1181561880 /nfs/dbraw/zinc/56/18/80/1181561880.db2.gz VPWDVSKEDGIQRQ-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481494607 1181561886 /nfs/dbraw/zinc/56/18/86/1181561886.db2.gz VPWDVSKEDGIQRQ-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481494607 1181561891 /nfs/dbraw/zinc/56/18/91/1181561891.db2.gz VPWDVSKEDGIQRQ-PKOBYXMFSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268192861 1181986464 /nfs/dbraw/zinc/98/64/64/1181986464.db2.gz SOZNWHWQABZFEL-QAPCUYQASA-N 2 1 346.475 2.287 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481912992 1182937004 /nfs/dbraw/zinc/93/70/04/1182937004.db2.gz UZTBVMPKGJIVGV-DLBZAZTESA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481912992 1182937007 /nfs/dbraw/zinc/93/70/07/1182937007.db2.gz UZTBVMPKGJIVGV-DLBZAZTESA-N 2 1 337.508 2.080 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001481979263 1183080710 /nfs/dbraw/zinc/08/07/10/1183080710.db2.gz ZLKIOTUFUDUJJG-SJORKVTESA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001481984431 1183086703 /nfs/dbraw/zinc/08/67/03/1183086703.db2.gz MDRYJYYDSUSJSO-MOPGFXCFSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1 ZINC001268551627 1183236188 /nfs/dbraw/zinc/23/61/88/1183236188.db2.gz CWUZEPWAMZLVOJ-ZYLKZGKVSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1 ZINC001268551627 1183236197 /nfs/dbraw/zinc/23/61/97/1183236197.db2.gz CWUZEPWAMZLVOJ-ZYLKZGKVSA-N 2 1 325.456 2.107 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270434598 1185096531 /nfs/dbraw/zinc/09/65/31/1185096531.db2.gz ZEYNCKAUWUXSIO-MJGOQNOKSA-N 2 1 342.487 2.042 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482866825 1187786914 /nfs/dbraw/zinc/78/69/14/1187786914.db2.gz ZGYPLZWXOFEWCB-BXWFABGCSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001483566584 1190555927 /nfs/dbraw/zinc/55/59/27/1190555927.db2.gz AXRTZKYRJWKXIL-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001483566584 1190555930 /nfs/dbraw/zinc/55/59/30/1190555930.db2.gz AXRTZKYRJWKXIL-ROUUACIJSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001483817098 1191045801 /nfs/dbraw/zinc/04/58/01/1191045801.db2.gz CAZAXLKFGALNQY-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](CC=C)CC3CC3)CC2)CC1 ZINC001483818074 1191045966 /nfs/dbraw/zinc/04/59/66/1191045966.db2.gz DZGWQPFWVIZDPS-UHFFFAOYSA-N 2 1 343.515 2.221 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001486480520 1193995115 /nfs/dbraw/zinc/99/51/15/1193995115.db2.gz VARSOWCTWYVTSI-UHFFFAOYSA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000872178527 1198073787 /nfs/dbraw/zinc/07/37/87/1198073787.db2.gz XMEWHOQCMMRXHO-ZDUSSCGKSA-N 2 1 348.838 2.026 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133514 1199867389 /nfs/dbraw/zinc/86/73/89/1199867389.db2.gz DQXLKRPUNUCFMA-JQFCIGGWSA-N 2 1 335.879 2.341 10 30 EEEEMP C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467522 1207967830 /nfs/dbraw/zinc/96/78/30/1207967830.db2.gz OFSLLLBMTYNSCF-BHIYHBOVSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934467522 1207967831 /nfs/dbraw/zinc/96/78/31/1207967831.db2.gz OFSLLLBMTYNSCF-BHIYHBOVSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000934467522 1207967833 /nfs/dbraw/zinc/96/78/33/1207967833.db2.gz OFSLLLBMTYNSCF-BHIYHBOVSA-N 2 1 327.472 2.416 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971857 1213933709 /nfs/dbraw/zinc/93/37/09/1213933709.db2.gz FFINMEQGPKXEAD-INIZCTEOSA-N 2 1 327.476 2.407 10 30 EEEEMP CC[NH+]=C(NCCOC)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000252512173 1213934115 /nfs/dbraw/zinc/93/41/15/1213934115.db2.gz NOXGRIVEAKWMSG-GOEBONIOSA-N 2 1 338.521 2.333 10 30 EEEEMP CN(CCC#N)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699124 1248656794 /nfs/dbraw/zinc/65/67/94/1248656794.db2.gz FKDXNBKGIDBGAC-HXUWFJFHSA-N 2 1 342.487 2.067 10 30 EEEEMP CN(CCC#N)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699124 1248656809 /nfs/dbraw/zinc/65/68/09/1248656809.db2.gz FKDXNBKGIDBGAC-HXUWFJFHSA-N 2 1 342.487 2.067 10 30 EEEEMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490902669 1254315947 /nfs/dbraw/zinc/31/59/47/1254315947.db2.gz PJOICCFRGJYTJI-IHRRRGAJSA-N 2 1 344.297 2.006 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985417 1258543043 /nfs/dbraw/zinc/54/30/43/1258543043.db2.gz YTVSDDJZDAFFRP-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001491225256 1258807825 /nfs/dbraw/zinc/80/78/25/1258807825.db2.gz DCPCQFKOHUMXBQ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001491225256 1258807834 /nfs/dbraw/zinc/80/78/34/1258807834.db2.gz DCPCQFKOHUMXBQ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266786551 1276619939 /nfs/dbraw/zinc/61/99/39/1276619939.db2.gz KKHNLNLDBPRCEE-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266786551 1276619944 /nfs/dbraw/zinc/61/99/44/1276619944.db2.gz KKHNLNLDBPRCEE-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883920 1292224071 /nfs/dbraw/zinc/22/40/71/1292224071.db2.gz BBVXMXNVDDFKMC-SFHVURJKSA-N 2 1 339.483 2.112 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC001278299393 1309137170 /nfs/dbraw/zinc/13/71/70/1309137170.db2.gz BFVQHBZTORZXNC-WBVHZDCISA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC001278667370 1317605721 /nfs/dbraw/zinc/60/57/21/1317605721.db2.gz PYAAKEBDCNOCAK-KRWDZBQOSA-N 2 1 346.475 2.287 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)CC#Cc1ccccc1Cl ZINC001265055152 1322893410 /nfs/dbraw/zinc/89/34/10/1322893410.db2.gz BSBOWAGUTQCANG-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC001265055152 1322893412 /nfs/dbraw/zinc/89/34/12/1322893412.db2.gz BSBOWAGUTQCANG-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[NH+](C)CCC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001265055152 1322893418 /nfs/dbraw/zinc/89/34/18/1322893418.db2.gz BSBOWAGUTQCANG-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001265336003 1323083683 /nfs/dbraw/zinc/08/36/83/1323083683.db2.gz NIZZVMJSQVDLKW-GOSISDBHSA-N 2 1 327.472 2.275 10 30 EEEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001265336003 1323083692 /nfs/dbraw/zinc/08/36/92/1323083692.db2.gz NIZZVMJSQVDLKW-GOSISDBHSA-N 2 1 327.472 2.275 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC(=C)C)CC1 ZINC001281966642 1325540647 /nfs/dbraw/zinc/54/06/47/1325540647.db2.gz AOZNVYBOHAZSKI-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC(=C)C)CC1 ZINC001282260969 1325671816 /nfs/dbraw/zinc/67/18/16/1325671816.db2.gz OZQHKYDTQBCLKZ-ACBHZAAOSA-N 2 1 331.504 2.409 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC(=C)C)CC1 ZINC001282260969 1325671819 /nfs/dbraw/zinc/67/18/19/1325671819.db2.gz OZQHKYDTQBCLKZ-ACBHZAAOSA-N 2 1 331.504 2.409 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(Cl)c1 ZINC001282403849 1325710345 /nfs/dbraw/zinc/71/03/45/1325710345.db2.gz XMMNKKXVVAPBDI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(Cl)c1 ZINC001282403849 1325710349 /nfs/dbraw/zinc/71/03/49/1325710349.db2.gz XMMNKKXVVAPBDI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC001282403849 1325710352 /nfs/dbraw/zinc/71/03/52/1325710352.db2.gz XMMNKKXVVAPBDI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001282403849 1325710354 /nfs/dbraw/zinc/71/03/54/1325710354.db2.gz XMMNKKXVVAPBDI-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491829304 1330266574 /nfs/dbraw/zinc/26/65/74/1330266574.db2.gz IURCUNPYAFQWJX-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001316897859 1331963446 /nfs/dbraw/zinc/96/34/46/1331963446.db2.gz QPYAOTKUIBADRQ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001316897859 1331963447 /nfs/dbraw/zinc/96/34/47/1331963447.db2.gz QPYAOTKUIBADRQ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001316897859 1331963450 /nfs/dbraw/zinc/96/34/50/1331963450.db2.gz QPYAOTKUIBADRQ-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317043115 1332056998 /nfs/dbraw/zinc/05/69/98/1332056998.db2.gz HPEKVOFGGGLICT-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001317043115 1332057001 /nfs/dbraw/zinc/05/70/01/1332057001.db2.gz HPEKVOFGGGLICT-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317043115 1332057003 /nfs/dbraw/zinc/05/70/03/1332057003.db2.gz HPEKVOFGGGLICT-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317043115 1332057005 /nfs/dbraw/zinc/05/70/05/1332057005.db2.gz HPEKVOFGGGLICT-HXUWFJFHSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317180972 1332118213 /nfs/dbraw/zinc/11/82/13/1332118213.db2.gz NRXMDPRHEZVTDG-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317180971 1332118277 /nfs/dbraw/zinc/11/82/77/1332118277.db2.gz NRXMDPRHEZVTDG-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001319594802 1332726266 /nfs/dbraw/zinc/72/62/66/1332726266.db2.gz WORUPHHNZKGQRS-MRXNPFEDSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001320068701 1332819181 /nfs/dbraw/zinc/81/91/81/1332819181.db2.gz MGAIXJYBEOHUGL-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001320068701 1332819182 /nfs/dbraw/zinc/81/91/82/1332819182.db2.gz MGAIXJYBEOHUGL-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001320068701 1332819183 /nfs/dbraw/zinc/81/91/83/1332819183.db2.gz MGAIXJYBEOHUGL-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001320068701 1332819184 /nfs/dbraw/zinc/81/91/84/1332819184.db2.gz MGAIXJYBEOHUGL-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414968 1332878793 /nfs/dbraw/zinc/87/87/93/1332878793.db2.gz NMSQTJYHQFQLGW-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330476070 1334853607 /nfs/dbraw/zinc/85/36/07/1334853607.db2.gz QKBSLRWLRQURNZ-UFYCRDLUSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001671653816 1356384975 /nfs/dbraw/zinc/38/49/75/1356384975.db2.gz HGBCYXYOYWFYJR-LJQANCHMSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CCCF)CC1 ZINC001569588301 1342904382 /nfs/dbraw/zinc/90/43/82/1342904382.db2.gz CRTDDLWPBUFTLG-PKOBYXMFSA-N 2 1 349.494 2.289 10 30 EEEEMP C=CCC[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001676052816 1357097692 /nfs/dbraw/zinc/09/76/92/1357097692.db2.gz XXJAXRJYEBNPSS-GOSISDBHSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC001676052816 1357097697 /nfs/dbraw/zinc/09/76/97/1357097697.db2.gz XXJAXRJYEBNPSS-GOSISDBHSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001676052816 1357097700 /nfs/dbraw/zinc/09/77/00/1357097700.db2.gz XXJAXRJYEBNPSS-GOSISDBHSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001676052816 1357097706 /nfs/dbraw/zinc/09/77/06/1357097706.db2.gz XXJAXRJYEBNPSS-GOSISDBHSA-N 2 1 345.491 2.289 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c(F)c1 ZINC001677642478 1357381532 /nfs/dbraw/zinc/38/15/32/1357381532.db2.gz CBNXMRHBEUTFQK-HKUYNNGSSA-N 2 1 343.446 2.182 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661213142 1354607869 /nfs/dbraw/zinc/60/78/69/1354607869.db2.gz LQVRQPIGBWWQBR-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCOc1cccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001661288028 1354623702 /nfs/dbraw/zinc/62/37/02/1354623702.db2.gz YSCJOEYCCWTWTO-UHFFFAOYSA-N 2 1 345.487 2.284 10 30 EEEEMP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001662856498 1354867218 /nfs/dbraw/zinc/86/72/18/1354867218.db2.gz PKTOIWABLXEVDQ-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663104982 1354915397 /nfs/dbraw/zinc/91/53/97/1354915397.db2.gz PAYGSLYAUUFOMQ-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663104982 1354915399 /nfs/dbraw/zinc/91/53/99/1354915399.db2.gz PAYGSLYAUUFOMQ-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC001663730392 1355023870 /nfs/dbraw/zinc/02/38/70/1355023870.db2.gz JIFPFCVIOODQQL-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1C)C1CC1 ZINC001663730392 1355023876 /nfs/dbraw/zinc/02/38/76/1355023876.db2.gz JIFPFCVIOODQQL-FQEVSTJZSA-N 2 1 339.483 2.173 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1ccccc1C)C1CC1 ZINC001663730392 1355023886 /nfs/dbraw/zinc/02/38/86/1355023886.db2.gz 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/nfs/dbraw/zinc/97/70/90/1356977090.db2.gz COMCOFZUMZAKAY-UYAOXDASSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001692329688 1405003119 /nfs/dbraw/zinc/00/31/19/1405003119.db2.gz LMEHTZBOEUWJRR-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001698723253 1405028424 /nfs/dbraw/zinc/02/84/24/1405028424.db2.gz PIIQEAWKDODXDP-MOPGFXCFSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157559 779998965 /nfs/dbraw/zinc/99/89/65/779998965.db2.gz FDBJJEGDYRONDT-GJZGRUSLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157559 779998970 /nfs/dbraw/zinc/99/89/70/779998970.db2.gz FDBJJEGDYRONDT-GJZGRUSLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157559 779998973 /nfs/dbraw/zinc/99/89/73/779998973.db2.gz FDBJJEGDYRONDT-GJZGRUSLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157559 779998980 /nfs/dbraw/zinc/99/89/80/779998980.db2.gz FDBJJEGDYRONDT-GJZGRUSLSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001177217042 798805912 /nfs/dbraw/zinc/80/59/12/798805912.db2.gz XNWQACQUNOEZQK-CTNGQTDRSA-N 2 1 341.499 2.475 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001566070717 1125544145 /nfs/dbraw/zinc/54/41/45/1125544145.db2.gz IMLMFPBLTUHUMX-XKJZPFPASA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001566070717 1125544154 /nfs/dbraw/zinc/54/41/54/1125544154.db2.gz IMLMFPBLTUHUMX-XKJZPFPASA-N 2 1 337.895 2.197 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001566510803 1125681470 /nfs/dbraw/zinc/68/14/70/1125681470.db2.gz SJONXWBWGKGAHA-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001566510803 1125681473 /nfs/dbraw/zinc/68/14/73/1125681473.db2.gz SJONXWBWGKGAHA-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001566510803 1125681475 /nfs/dbraw/zinc/68/14/75/1125681475.db2.gz SJONXWBWGKGAHA-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001437598752 1090106602 /nfs/dbraw/zinc/10/66/02/1090106602.db2.gz YZHPQMQHPKXYDQ-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001437598752 1090106606 /nfs/dbraw/zinc/10/66/06/1090106606.db2.gz YZHPQMQHPKXYDQ-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001437598752 1090106611 /nfs/dbraw/zinc/10/66/11/1090106611.db2.gz YZHPQMQHPKXYDQ-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001438729086 1091267039 /nfs/dbraw/zinc/26/70/39/1091267039.db2.gz VCAKENSMTGUWCM-OALUTQOASA-N 2 1 342.487 2.273 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440364261 1093529669 /nfs/dbraw/zinc/52/96/69/1093529669.db2.gz YUWYTGJEAXDACZ-JCNLHEQBSA-N 2 1 346.450 2.022 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001441936433 1096128798 /nfs/dbraw/zinc/12/87/98/1096128798.db2.gz KRWMGEIZYYVPED-UONOGXRCSA-N 2 1 346.313 2.111 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328721 1098892698 /nfs/dbraw/zinc/89/26/98/1098892698.db2.gz PIYKCQIJKQIJPM-APWZRJJASA-N 2 1 342.487 2.275 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001446551560 1101021892 /nfs/dbraw/zinc/02/18/92/1101021892.db2.gz IWBMCGDQMCOVIT-KRWDZBQOSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001446551560 1101021897 /nfs/dbraw/zinc/02/18/97/1101021897.db2.gz IWBMCGDQMCOVIT-KRWDZBQOSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001446551560 1101021903 /nfs/dbraw/zinc/02/19/03/1101021903.db2.gz IWBMCGDQMCOVIT-KRWDZBQOSA-N 2 1 334.489 2.041 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001446551560 1101021912 /nfs/dbraw/zinc/02/19/12/1101021912.db2.gz IWBMCGDQMCOVIT-KRWDZBQOSA-N 2 1 334.489 2.041 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001495389105 1101108377 /nfs/dbraw/zinc/10/83/77/1101108377.db2.gz BVBXYWDWJZNXLZ-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001495389104 1101108813 /nfs/dbraw/zinc/10/88/13/1101108813.db2.gz BVBXYWDWJZNXLZ-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C[N@@H+](C)C(C)C ZINC001497501339 1102590641 /nfs/dbraw/zinc/59/06/41/1102590641.db2.gz SVGKPKLDSRWEAK-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCc1ccc(C)cc1 ZINC001495001497 1104644291 /nfs/dbraw/zinc/64/42/91/1104644291.db2.gz GEDVSBDMZVNGSY-UXHICEINSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCc1ccc(C)cc1 ZINC001495001497 1104644295 /nfs/dbraw/zinc/64/42/95/1104644295.db2.gz GEDVSBDMZVNGSY-UXHICEINSA-N 2 1 341.499 2.120 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001498874164 1108257415 /nfs/dbraw/zinc/25/74/15/1108257415.db2.gz JTTQPRGQIOUTTG-SFHVURJKSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(SCC#N)c1 ZINC001470025890 1110500299 /nfs/dbraw/zinc/50/02/99/1110500299.db2.gz IMQZZSRJSJJHOF-HNNXBMFYSA-N 2 1 348.516 2.304 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(SCC#N)c1 ZINC001470025890 1110500301 /nfs/dbraw/zinc/50/03/01/1110500301.db2.gz IMQZZSRJSJJHOF-HNNXBMFYSA-N 2 1 348.516 2.304 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001499527425 1112342584 /nfs/dbraw/zinc/34/25/84/1112342584.db2.gz JQISZBUCUNWIHJ-SFHVURJKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001499527425 1112342588 /nfs/dbraw/zinc/34/25/88/1112342588.db2.gz JQISZBUCUNWIHJ-SFHVURJKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001499527425 1112342593 /nfs/dbraw/zinc/34/25/93/1112342593.db2.gz JQISZBUCUNWIHJ-SFHVURJKSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001500428611 1112825101 /nfs/dbraw/zinc/82/51/01/1112825101.db2.gz KVSQYJLYJVXPJZ-SJORKVTESA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001500428611 1112825107 /nfs/dbraw/zinc/82/51/07/1112825107.db2.gz KVSQYJLYJVXPJZ-SJORKVTESA-N 2 1 337.483 2.050 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500546955 1112937562 /nfs/dbraw/zinc/93/75/62/1112937562.db2.gz KZFBJSZFRJXCML-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500546955 1112937565 /nfs/dbraw/zinc/93/75/65/1112937565.db2.gz KZFBJSZFRJXCML-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C)c1ccccc1CC ZINC001501020362 1113169725 /nfs/dbraw/zinc/16/97/25/1113169725.db2.gz ZQLGAKZALKNYQC-PMACEKPBSA-N 2 1 339.483 2.280 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C)c1ccccc1CC ZINC001501020362 1113169727 /nfs/dbraw/zinc/16/97/27/1113169727.db2.gz ZQLGAKZALKNYQC-PMACEKPBSA-N 2 1 339.483 2.280 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145584 1113214278 /nfs/dbraw/zinc/21/42/78/1113214278.db2.gz CHLUEIFWZFNVHC-APWZRJJASA-N 2 1 342.487 2.084 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001501186323 1113233445 /nfs/dbraw/zinc/23/34/45/1113233445.db2.gz ISCCSOMKFIUUSF-IYARVYRRSA-N 2 1 335.536 2.500 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001501663071 1113422118 /nfs/dbraw/zinc/42/21/18/1113422118.db2.gz LUHKBJVNSRZKMA-HXUWFJFHSA-N 2 1 339.483 2.100 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430687 1113964054 /nfs/dbraw/zinc/96/40/54/1113964054.db2.gz HUETVXOLUAZJHN-HOTGVXAUSA-N 2 1 325.884 2.004 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430687 1113964058 /nfs/dbraw/zinc/96/40/58/1113964058.db2.gz HUETVXOLUAZJHN-HOTGVXAUSA-N 2 1 325.884 2.004 10 30 EEEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001506989182 1115035180 /nfs/dbraw/zinc/03/51/80/1115035180.db2.gz BHROQQVHNZJHOD-VQIMIIECSA-N 2 1 339.499 2.343 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001507456153 1115280447 /nfs/dbraw/zinc/28/04/47/1115280447.db2.gz GXMAODMZEPXLLG-KGLIPLIRSA-N 2 1 335.414 2.131 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567892646 1124160842 /nfs/dbraw/zinc/16/08/42/1124160842.db2.gz FDSATPBHFKMABO-OAHLLOKOSA-N 2 1 325.416 2.038 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001568118478 1124312524 /nfs/dbraw/zinc/31/25/24/1124312524.db2.gz UNSSBSQLMJBWPB-LJQANCHMSA-N 2 1 327.472 2.290 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(C)C)C1CCCCC1 ZINC001568343195 1124427789 /nfs/dbraw/zinc/42/77/89/1124427789.db2.gz CZDRFPWNIWBPDF-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(C)C)C1CCCCC1 ZINC001568343195 1124427790 /nfs/dbraw/zinc/42/77/90/1124427790.db2.gz CZDRFPWNIWBPDF-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137563 1125121251 /nfs/dbraw/zinc/12/12/51/1125121251.db2.gz DXBOCKBRSYDIEP-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137563 1125121254 /nfs/dbraw/zinc/12/12/54/1125121254.db2.gz DXBOCKBRSYDIEP-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569137563 1125121260 /nfs/dbraw/zinc/12/12/60/1125121260.db2.gz DXBOCKBRSYDIEP-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569137563 1125121266 /nfs/dbraw/zinc/12/12/66/1125121266.db2.gz DXBOCKBRSYDIEP-SFHVURJKSA-N 2 1 343.515 2.453 10 30 EEEEMP CCO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451549510 467259033 /nfs/dbraw/zinc/25/90/33/467259033.db2.gz WBYJLCPTWZPWFR-FGYAAKKASA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451549510 467259036 /nfs/dbraw/zinc/25/90/36/467259036.db2.gz WBYJLCPTWZPWFR-FGYAAKKASA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451549510 467259040 /nfs/dbraw/zinc/25/90/40/467259040.db2.gz WBYJLCPTWZPWFR-FGYAAKKASA-N 2 1 336.520 2.484 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001375 470354063 /nfs/dbraw/zinc/35/40/63/470354063.db2.gz KDLYQYYPRCLYJT-UYAOXDASSA-N 2 1 327.472 2.384 10 30 EEEEMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303258548 686731174 /nfs/dbraw/zinc/73/11/74/686731174.db2.gz KXSFCSQUUOYOCK-CABCVRRESA-N 2 1 336.505 2.043 10 30 EEEEMP CC#CCN1CCC(N(CCC)C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001266388875 1176462080 /nfs/dbraw/zinc/46/20/80/1176462080.db2.gz UXFSLEXVPLSRIT-KRWDZBQOSA-N 2 1 342.487 2.172 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266494580 1176635033 /nfs/dbraw/zinc/63/50/33/1176635033.db2.gz SPRCZXJHDBCKBJ-YTQUADARSA-N 2 1 342.487 2.395 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266494580 1176635042 /nfs/dbraw/zinc/63/50/42/1176635042.db2.gz SPRCZXJHDBCKBJ-YTQUADARSA-N 2 1 342.487 2.395 10 30 EEEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001691042085 1176974430 /nfs/dbraw/zinc/97/44/30/1176974430.db2.gz BJKMCYGEBSIBMZ-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691042085 1176974438 /nfs/dbraw/zinc/97/44/38/1176974438.db2.gz BJKMCYGEBSIBMZ-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001691042085 1176974444 /nfs/dbraw/zinc/97/44/44/1176974444.db2.gz BJKMCYGEBSIBMZ-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266713069 1177251011 /nfs/dbraw/zinc/25/10/11/1177251011.db2.gz OBPUHHXOZCFNFQ-XBVQOTNRSA-N 2 1 330.476 2.345 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267458704 1179046092 /nfs/dbraw/zinc/04/60/92/1179046092.db2.gz DMGBRHHHUVQLPX-GOSISDBHSA-N 2 1 342.487 2.098 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001481679176 1182200719 /nfs/dbraw/zinc/20/07/19/1182200719.db2.gz AJIMAQRBFYDVJG-ROUUACIJSA-N 2 1 337.427 2.132 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001481679176 1182200722 /nfs/dbraw/zinc/20/07/22/1182200722.db2.gz AJIMAQRBFYDVJG-ROUUACIJSA-N 2 1 337.427 2.132 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCCC)CC1 ZINC001482043837 1183219391 /nfs/dbraw/zinc/21/93/91/1183219391.db2.gz XLOQWTVSZDZVPI-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCCC)CC1 ZINC001482043837 1183219394 /nfs/dbraw/zinc/21/93/94/1183219394.db2.gz XLOQWTVSZDZVPI-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268646021 1183575722 /nfs/dbraw/zinc/57/57/22/1183575722.db2.gz MZVZEMHZBFXFAI-APWZRJJASA-N 2 1 345.462 2.144 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001269268427 1184120837 /nfs/dbraw/zinc/12/08/37/1184120837.db2.gz LHBJSNSRCZHSIE-GOSISDBHSA-N 2 1 347.890 2.176 10 30 EEEEMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001269268427 1184120842 /nfs/dbraw/zinc/12/08/42/1184120842.db2.gz LHBJSNSRCZHSIE-GOSISDBHSA-N 2 1 347.890 2.176 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001269601591 1184426830 /nfs/dbraw/zinc/42/68/30/1184426830.db2.gz KWZUNCNDUIGLAT-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001269601591 1184426835 /nfs/dbraw/zinc/42/68/35/1184426835.db2.gz KWZUNCNDUIGLAT-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001269601591 1184426842 /nfs/dbraw/zinc/42/68/42/1184426842.db2.gz KWZUNCNDUIGLAT-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001269601591 1184426847 /nfs/dbraw/zinc/42/68/47/1184426847.db2.gz KWZUNCNDUIGLAT-UXHICEINSA-N 2 1 339.483 2.207 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270429741 1185095902 /nfs/dbraw/zinc/09/59/02/1185095902.db2.gz GKSKXDKDBDYMIF-WMZOPIPTSA-N 2 1 330.476 2.205 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485824284 1193457686 /nfs/dbraw/zinc/45/76/86/1193457686.db2.gz JZWLKHDXJQUMAY-CWRNSKLLSA-N 2 1 327.900 2.296 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483244502 1190273070 /nfs/dbraw/zinc/27/30/70/1190273070.db2.gz ZJMWXSBTHJOHAK-YOEHRIQHSA-N 2 1 348.516 2.334 10 30 EEEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272669971 1191007608 /nfs/dbraw/zinc/00/76/08/1191007608.db2.gz LBSNZSNHIHFLBT-IBGZPJMESA-N 2 1 327.472 2.262 10 30 EEEEMP C=CC[NH2+]C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CCCC1 ZINC001484010568 1191154052 /nfs/dbraw/zinc/15/40/52/1191154052.db2.gz ZPTSIHZMMMZKJW-SFHVURJKSA-N 2 1 346.475 2.335 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001484824494 1191542607 /nfs/dbraw/zinc/54/26/07/1191542607.db2.gz PJPWRZSMFVRLPJ-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001484824494 1191542608 /nfs/dbraw/zinc/54/26/08/1191542608.db2.gz PJPWRZSMFVRLPJ-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001484824494 1191542609 /nfs/dbraw/zinc/54/26/09/1191542609.db2.gz PJPWRZSMFVRLPJ-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001484824494 1191542610 /nfs/dbraw/zinc/54/26/10/1191542610.db2.gz PJPWRZSMFVRLPJ-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987630 1191603953 /nfs/dbraw/zinc/60/39/53/1191603953.db2.gz DJXGHRPBRGOQQB-LSDHHAIUSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987630 1191603955 /nfs/dbraw/zinc/60/39/55/1191603955.db2.gz DJXGHRPBRGOQQB-LSDHHAIUSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987630 1191603957 /nfs/dbraw/zinc/60/39/57/1191603957.db2.gz DJXGHRPBRGOQQB-LSDHHAIUSA-N 2 1 348.516 2.429 10 30 EEEEMP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001486376148 1193883873 /nfs/dbraw/zinc/88/38/73/1193883873.db2.gz YEMYCYURBSCZLU-KRWDZBQOSA-N 2 1 332.492 2.499 10 30 EEEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001486376148 1193883877 /nfs/dbraw/zinc/88/38/77/1193883877.db2.gz YEMYCYURBSCZLU-KRWDZBQOSA-N 2 1 332.492 2.499 10 30 EEEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001486442164 1193970074 /nfs/dbraw/zinc/97/00/74/1193970074.db2.gz GKQKSFZIINOYAX-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001486442164 1193970076 /nfs/dbraw/zinc/97/00/76/1193970076.db2.gz GKQKSFZIINOYAX-GOSISDBHSA-N 2 1 341.499 2.358 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001411022308 1198706262 /nfs/dbraw/zinc/70/62/62/1198706262.db2.gz QMGXLUCMQFLKRB-GOSISDBHSA-N 2 1 342.487 2.225 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000866615081 1201560666 /nfs/dbraw/zinc/56/06/66/1201560666.db2.gz BBGZATABXMIXMO-VQTJNVASSA-N 2 1 325.456 2.258 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001275184575 1205276978 /nfs/dbraw/zinc/27/69/78/1205276978.db2.gz FDOGITJEXMCMHV-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001275184575 1205276980 /nfs/dbraw/zinc/27/69/80/1205276980.db2.gz FDOGITJEXMCMHV-YJBOKZPZSA-N 2 1 347.890 2.340 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275970982 1205609251 /nfs/dbraw/zinc/60/92/51/1205609251.db2.gz VDFLYILAUJRRIT-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001275970982 1205609252 /nfs/dbraw/zinc/60/92/52/1205609252.db2.gz VDFLYILAUJRRIT-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275970982 1205609253 /nfs/dbraw/zinc/60/92/53/1205609253.db2.gz VDFLYILAUJRRIT-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001275970982 1205609254 /nfs/dbraw/zinc/60/92/54/1205609254.db2.gz VDFLYILAUJRRIT-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048504 1239616814 /nfs/dbraw/zinc/61/68/14/1239616814.db2.gz NSXOVUNCIGOZAK-HNAYVOBHSA-N 2 1 336.439 2.371 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490765293 1291700104 /nfs/dbraw/zinc/70/01/04/1291700104.db2.gz MOXXSAPUGQVHTP-GOSISDBHSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001277046349 1301008691 /nfs/dbraw/zinc/00/86/91/1301008691.db2.gz OVUXPMIVEUVDGD-AFYVEPGGSA-N 2 1 341.499 2.392 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277466348 1303450741 /nfs/dbraw/zinc/45/07/41/1303450741.db2.gz YIWGCCLLQOEXDM-HXUWFJFHSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C#N ZINC001491557130 1303518304 /nfs/dbraw/zinc/51/83/04/1303518304.db2.gz AWHKAGVDIHSKMU-ILXRZTDVSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C#N ZINC001491557130 1303518307 /nfs/dbraw/zinc/51/83/07/1303518307.db2.gz AWHKAGVDIHSKMU-ILXRZTDVSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308023 1323058324 /nfs/dbraw/zinc/05/83/24/1323058324.db2.gz KMPFFRFMCNEGEC-INIZCTEOSA-N 2 1 325.416 2.038 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308023 1323058332 /nfs/dbraw/zinc/05/83/32/1323058332.db2.gz KMPFFRFMCNEGEC-INIZCTEOSA-N 2 1 325.416 2.038 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001265495032 1323182562 /nfs/dbraw/zinc/18/25/62/1323182562.db2.gz YYTXMTNIPHFKOT-SHTZXODSSA-N 2 1 332.448 2.087 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266234890 1323818533 /nfs/dbraw/zinc/81/85/33/1323818533.db2.gz NKBOMWCDGJSICG-HXUWFJFHSA-N 2 1 341.499 2.398 10 30 EEEEMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001279237272 1323856699 /nfs/dbraw/zinc/85/66/99/1323856699.db2.gz SAGBEVWIRVLSRD-ACDBMABISA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001279237272 1323856704 /nfs/dbraw/zinc/85/67/04/1323856704.db2.gz SAGBEVWIRVLSRD-ACDBMABISA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001279237272 1323856709 /nfs/dbraw/zinc/85/67/09/1323856709.db2.gz SAGBEVWIRVLSRD-ACDBMABISA-N 2 1 339.483 2.111 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001279237272 1323856713 /nfs/dbraw/zinc/85/67/13/1323856713.db2.gz SAGBEVWIRVLSRD-ACDBMABISA-N 2 1 339.483 2.111 10 30 EEEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001279310983 1323869974 /nfs/dbraw/zinc/86/99/74/1323869974.db2.gz AUKNYEMDFLDASP-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281088256 1324758141 /nfs/dbraw/zinc/75/81/41/1324758141.db2.gz RIGUXFQKSXJVEQ-AEFFLSMTSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C(F)(F)F ZINC001284738033 1326690217 /nfs/dbraw/zinc/69/02/17/1326690217.db2.gz QUYIMXKTGPBEJG-ZIAGYGMSSA-N 2 1 344.381 2.137 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359571 /nfs/dbraw/zinc/35/95/71/1330359571.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359575 /nfs/dbraw/zinc/35/95/75/1330359575.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359582 /nfs/dbraw/zinc/35/95/82/1330359582.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 2 1 342.487 2.321 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450810 1331262781 /nfs/dbraw/zinc/26/27/81/1331262781.db2.gz ZNXWMNXGNORCKG-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cccc(C#N)c1 ZINC001492450810 1331262785 /nfs/dbraw/zinc/26/27/85/1331262785.db2.gz ZNXWMNXGNORCKG-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1cccc(C#N)c1 ZINC001492450810 1331262788 /nfs/dbraw/zinc/26/27/88/1331262788.db2.gz ZNXWMNXGNORCKG-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC=C)[C@@H]2CC)CC1 ZINC001316742900 1331867986 /nfs/dbraw/zinc/86/79/86/1331867986.db2.gz YFPBBWAYSQVGIN-RBUKOAKNSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317177519 1332116133 /nfs/dbraw/zinc/11/61/33/1332116133.db2.gz SDMKXYDBPPUVDY-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001317177519 1332116135 /nfs/dbraw/zinc/11/61/35/1332116135.db2.gz SDMKXYDBPPUVDY-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317177519 1332116137 /nfs/dbraw/zinc/11/61/37/1332116137.db2.gz SDMKXYDBPPUVDY-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317177519 1332116140 /nfs/dbraw/zinc/11/61/40/1332116140.db2.gz SDMKXYDBPPUVDY-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1sccc1Cl ZINC001317260206 1332156670 /nfs/dbraw/zinc/15/66/70/1332156670.db2.gz VYBXHNMVFVIIEQ-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1sccc1Cl ZINC001317260206 1332156671 /nfs/dbraw/zinc/15/66/71/1332156671.db2.gz VYBXHNMVFVIIEQ-JSGCOSHPSA-N 2 1 339.892 2.093 10 30 EEEEMP CCC[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CC[NH+](C)C ZINC001317545977 1332291816 /nfs/dbraw/zinc/29/18/16/1332291816.db2.gz DSAUYGSKMZFXBI-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317680287 1332368326 /nfs/dbraw/zinc/36/83/26/1332368326.db2.gz HNWSYHWLYYQAJA-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317680287 1332368328 /nfs/dbraw/zinc/36/83/28/1332368328.db2.gz HNWSYHWLYYQAJA-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318257608 1332498211 /nfs/dbraw/zinc/49/82/11/1332498211.db2.gz PUUDHDUXNCWZIA-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318257608 1332498215 /nfs/dbraw/zinc/49/82/15/1332498215.db2.gz PUUDHDUXNCWZIA-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001318257608 1332498218 /nfs/dbraw/zinc/49/82/18/1332498218.db2.gz PUUDHDUXNCWZIA-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001318257608 1332498221 /nfs/dbraw/zinc/49/82/21/1332498221.db2.gz PUUDHDUXNCWZIA-VQTJNVASSA-N 2 1 339.483 2.103 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001318804634 1332601189 /nfs/dbraw/zinc/60/11/89/1332601189.db2.gz KUWGAKRLECGXBK-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCCC(F)(F)F ZINC001322175026 1333222361 /nfs/dbraw/zinc/22/23/61/1333222361.db2.gz JASJZQQDVCXMME-GJZGRUSLSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCCC(F)(F)F ZINC001322175026 1333222362 /nfs/dbraw/zinc/22/23/62/1333222362.db2.gz JASJZQQDVCXMME-GJZGRUSLSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCCC(F)(F)F ZINC001322175026 1333222363 /nfs/dbraw/zinc/22/23/63/1333222363.db2.gz JASJZQQDVCXMME-GJZGRUSLSA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCCC(F)(F)F ZINC001322175026 1333222365 /nfs/dbraw/zinc/22/23/65/1333222365.db2.gz JASJZQQDVCXMME-GJZGRUSLSA-N 2 1 347.425 2.253 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001323048182 1333374953 /nfs/dbraw/zinc/37/49/53/1333374953.db2.gz QZFDKKLGOJQITQ-MOPGFXCFSA-N 2 1 331.504 2.291 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001327128353 1334229325 /nfs/dbraw/zinc/22/93/25/1334229325.db2.gz AWCHCSUDBOTHQD-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001327128353 1334229326 /nfs/dbraw/zinc/22/93/26/1334229326.db2.gz AWCHCSUDBOTHQD-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001327128353 1334229328 /nfs/dbraw/zinc/22/93/28/1334229328.db2.gz AWCHCSUDBOTHQD-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001327277257 1334257896 /nfs/dbraw/zinc/25/78/96/1334257896.db2.gz NKLSRYSEFMUHTC-LJQANCHMSA-N 2 1 329.488 2.483 10 30 EEEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001327277257 1334257898 /nfs/dbraw/zinc/25/78/98/1334257898.db2.gz NKLSRYSEFMUHTC-LJQANCHMSA-N 2 1 329.488 2.483 10 30 EEEEMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001329591930 1334680131 /nfs/dbraw/zinc/68/01/31/1334680131.db2.gz IMPLGRZLTMGQKS-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001329591930 1334680135 /nfs/dbraw/zinc/68/01/35/1334680135.db2.gz IMPLGRZLTMGQKS-QGZVFWFLSA-N 2 1 347.478 2.346 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023136 1335949492 /nfs/dbraw/zinc/94/94/92/1335949492.db2.gz YFJYKZKHSBVCBR-KBPBESRZSA-N 2 1 335.414 2.273 10 30 EEEEMP C=CCCC[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338583214 1336879534 /nfs/dbraw/zinc/87/95/34/1336879534.db2.gz RYBXIFHATFGHBR-RYQLBKOJSA-N 2 1 334.508 2.341 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](CC)CC1 ZINC001343696763 1337345297 /nfs/dbraw/zinc/34/52/97/1337345297.db2.gz AXORMKPMTYHZNB-QGZVFWFLSA-N 2 1 346.523 2.195 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](CC)CC1 ZINC001343696763 1337345300 /nfs/dbraw/zinc/34/53/00/1337345300.db2.gz AXORMKPMTYHZNB-QGZVFWFLSA-N 2 1 346.523 2.195 10 30 EEEEMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[NH+](CC)CC1 ZINC001343696763 1337345303 /nfs/dbraw/zinc/34/53/03/1337345303.db2.gz AXORMKPMTYHZNB-QGZVFWFLSA-N 2 1 346.523 2.195 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001671653815 1356384707 /nfs/dbraw/zinc/38/47/07/1356384707.db2.gz HGBCYXYOYWFYJR-IBGZPJMESA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001567202569 1342711312 /nfs/dbraw/zinc/71/13/12/1342711312.db2.gz IFYQIMYGRSPZBM-ROUUACIJSA-N 2 1 337.483 2.003 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001567504605 1342773889 /nfs/dbraw/zinc/77/38/89/1342773889.db2.gz QAXXNNXKQTVWGY-MRXNPFEDSA-N 2 1 334.489 2.042 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCCC)C2)C1 ZINC001569479043 1342883130 /nfs/dbraw/zinc/88/31/30/1342883130.db2.gz YPISSOAGJSINTP-ICSRJNTNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001569479043 1342883136 /nfs/dbraw/zinc/88/31/36/1342883136.db2.gz YPISSOAGJSINTP-ICSRJNTNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCC)C2)C1 ZINC001569479043 1342883138 /nfs/dbraw/zinc/88/31/38/1342883138.db2.gz YPISSOAGJSINTP-ICSRJNTNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCC)C2)C1 ZINC001569479043 1342883144 /nfs/dbraw/zinc/88/31/44/1342883144.db2.gz YPISSOAGJSINTP-ICSRJNTNSA-N 2 1 331.504 2.199 10 30 EEEEMP CC#CC[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001571614612 1343252382 /nfs/dbraw/zinc/25/23/82/1343252382.db2.gz NGHYGHACEBMWES-LJQANCHMSA-N 2 1 339.499 2.391 10 30 EEEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001676243246 1357125467 /nfs/dbraw/zinc/12/54/67/1357125467.db2.gz AYJOIZINNBIBKW-FUHWJXTLSA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001676845666 1357219092 /nfs/dbraw/zinc/21/90/92/1357219092.db2.gz MBHZRIHKKPTKDH-OKZBNKHCSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878629 1357230243 /nfs/dbraw/zinc/23/02/43/1357230243.db2.gz ISQSYOCGEIEAPS-QZTJIDSGSA-N 2 1 336.524 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C1 ZINC001676878629 1357230248 /nfs/dbraw/zinc/23/02/48/1357230248.db2.gz ISQSYOCGEIEAPS-QZTJIDSGSA-N 2 1 336.524 2.140 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ccccc1 ZINC001676898011 1357237017 /nfs/dbraw/zinc/23/70/17/1357237017.db2.gz JQBLZJJVACBCDX-HSALFYBXSA-N 2 1 341.499 2.057 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cc(F)ccc1C#N ZINC001664396007 1355153809 /nfs/dbraw/zinc/15/38/09/1355153809.db2.gz YKLICXRCKNUKBN-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001664396007 1355153817 /nfs/dbraw/zinc/15/38/17/1355153817.db2.gz YKLICXRCKNUKBN-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835764 1355239225 /nfs/dbraw/zinc/23/92/25/1355239225.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001664835764 1355239231 /nfs/dbraw/zinc/23/92/31/1355239231.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001664835764 1355239239 /nfs/dbraw/zinc/23/92/39/1355239239.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665732599 1355377133 /nfs/dbraw/zinc/37/71/33/1355377133.db2.gz WJENPRTWRNOIBO-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001665732599 1355377139 /nfs/dbraw/zinc/37/71/39/1355377139.db2.gz WJENPRTWRNOIBO-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001665732599 1355377144 /nfs/dbraw/zinc/37/71/44/1355377144.db2.gz WJENPRTWRNOIBO-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001665732599 1355377151 /nfs/dbraw/zinc/37/71/51/1355377151.db2.gz WJENPRTWRNOIBO-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563808 1355545641 /nfs/dbraw/zinc/54/56/41/1355545641.db2.gz WCASOOCOQKETEJ-MRXNPFEDSA-N 2 1 345.462 2.003 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001668455319 1355944745 /nfs/dbraw/zinc/94/47/45/1355944745.db2.gz JIUZFVJMQOYVPG-OAHLLOKOSA-N 2 1 348.516 2.432 10 30 EEEEMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001672538398 1356550063 /nfs/dbraw/zinc/55/00/63/1356550063.db2.gz QAROVMOWFPYVEK-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001672538398 1356550065 /nfs/dbraw/zinc/55/00/65/1356550065.db2.gz QAROVMOWFPYVEK-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538398 1356550069 /nfs/dbraw/zinc/55/00/69/1356550069.db2.gz QAROVMOWFPYVEK-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538398 1356550072 /nfs/dbraw/zinc/55/00/72/1356550072.db2.gz QAROVMOWFPYVEK-PMACEKPBSA-N 2 1 341.499 2.412 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001673175251 1356651955 /nfs/dbraw/zinc/65/19/55/1356651955.db2.gz FTVHKBVVYYXWTM-KRWDZBQOSA-N 2 1 345.512 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001673175251 1356651956 /nfs/dbraw/zinc/65/19/56/1356651956.db2.gz FTVHKBVVYYXWTM-KRWDZBQOSA-N 2 1 345.512 2.283 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001673953984 1356764857 /nfs/dbraw/zinc/76/48/57/1356764857.db2.gz XWANCSMIAIXCPC-QGZVFWFLSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001673953984 1356764861 /nfs/dbraw/zinc/76/48/61/1356764861.db2.gz XWANCSMIAIXCPC-QGZVFWFLSA-N 2 1 345.491 2.337 10 30 EEEEMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674938760 1356913751 /nfs/dbraw/zinc/91/37/51/1356913751.db2.gz NAYHZWDDWIPQGV-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674938760 1356913755 /nfs/dbraw/zinc/91/37/55/1356913755.db2.gz NAYHZWDDWIPQGV-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001698723258 1405028062 /nfs/dbraw/zinc/02/80/62/1405028062.db2.gz PIIQEAWKDODXDP-RBUKOAKNSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698953253 1405185587 /nfs/dbraw/zinc/18/55/87/1405185587.db2.gz BNGRMJDNRXKNAC-UHFFFAOYSA-N 2 1 338.455 2.450 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169996 1089192317 /nfs/dbraw/zinc/19/23/17/1089192317.db2.gz WGMVWULKVWAKQN-WMLDXEAASA-N 2 1 346.450 2.166 10 30 EEEEMP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001437499653 1089881156 /nfs/dbraw/zinc/88/11/56/1089881156.db2.gz VNTVSKRDGVAINJ-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001437499653 1089881165 /nfs/dbraw/zinc/88/11/65/1089881165.db2.gz VNTVSKRDGVAINJ-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001443242469 1097711084 /nfs/dbraw/zinc/71/10/84/1097711084.db2.gz JCJLMROGDAKWJJ-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001443242469 1097711091 /nfs/dbraw/zinc/71/10/91/1097711091.db2.gz JCJLMROGDAKWJJ-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001443242469 1097711094 /nfs/dbraw/zinc/71/10/94/1097711094.db2.gz JCJLMROGDAKWJJ-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479526030 1098591906 /nfs/dbraw/zinc/59/19/06/1098591906.db2.gz OKKNFIJFPPKYCB-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479526030 1098591913 /nfs/dbraw/zinc/59/19/13/1098591913.db2.gz OKKNFIJFPPKYCB-UYAOXDASSA-N 2 1 341.499 2.358 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001444857582 1099845689 /nfs/dbraw/zinc/84/56/89/1099845689.db2.gz GGFLWDAYMIMPEL-ROUUACIJSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001496415222 1101009197 /nfs/dbraw/zinc/00/91/97/1101009197.db2.gz NZSIKONSRUKNPI-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494081732 1103492997 /nfs/dbraw/zinc/49/29/97/1103492997.db2.gz BWQHUBCQZFWXDS-QGZVFWFLSA-N 2 1 327.472 2.213 10 30 EEEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001494286647 1103820666 /nfs/dbraw/zinc/82/06/66/1103820666.db2.gz JTNJUJVKLIQZLW-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001494286647 1103820685 /nfs/dbraw/zinc/82/06/85/1103820685.db2.gz JTNJUJVKLIQZLW-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494286647 1103820704 /nfs/dbraw/zinc/82/07/04/1103820704.db2.gz JTNJUJVKLIQZLW-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001494286647 1103820724 /nfs/dbraw/zinc/82/07/24/1103820724.db2.gz JTNJUJVKLIQZLW-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060653 1103918002 /nfs/dbraw/zinc/91/80/02/1103918002.db2.gz JKFCJXGJDFIYSU-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060653 1103918013 /nfs/dbraw/zinc/91/80/13/1103918013.db2.gz JKFCJXGJDFIYSU-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060653 1103918022 /nfs/dbraw/zinc/91/80/22/1103918022.db2.gz JKFCJXGJDFIYSU-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480769847 1107080824 /nfs/dbraw/zinc/08/08/24/1107080824.db2.gz FPUQCBMGFBMIOT-MRXNPFEDSA-N 2 1 345.462 2.146 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001493146522 1107590102 /nfs/dbraw/zinc/59/01/02/1107590102.db2.gz GEIIOVXFBIZPCH-GOSISDBHSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001493146522 1107590109 /nfs/dbraw/zinc/59/01/09/1107590109.db2.gz GEIIOVXFBIZPCH-GOSISDBHSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066433 1108528755 /nfs/dbraw/zinc/52/87/55/1108528755.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066433 1108528772 /nfs/dbraw/zinc/52/87/72/1108528772.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066433 1108528783 /nfs/dbraw/zinc/52/87/83/1108528783.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1ccnc1)C2 ZINC001501173884 1113228491 /nfs/dbraw/zinc/22/84/91/1113228491.db2.gz RQTPUSKRZSWHKG-BCDXTJNWSA-N 2 1 328.460 2.046 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCCC=C)CC1 ZINC001567866634 1124148440 /nfs/dbraw/zinc/14/84/40/1124148440.db2.gz TVRSUWWYGWRVJK-PMACEKPBSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001568277535 1124400403 /nfs/dbraw/zinc/40/04/03/1124400403.db2.gz AGVMGDDJVAJRBA-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001568277535 1124400404 /nfs/dbraw/zinc/40/04/04/1124400404.db2.gz AGVMGDDJVAJRBA-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001568485829 1124543459 /nfs/dbraw/zinc/54/34/59/1124543459.db2.gz LXFIXGLTIXKVNY-HKUYNNGSSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001568485829 1124543466 /nfs/dbraw/zinc/54/34/66/1124543466.db2.gz LXFIXGLTIXKVNY-HKUYNNGSSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001568485829 1124543474 /nfs/dbraw/zinc/54/34/74/1124543474.db2.gz LXFIXGLTIXKVNY-HKUYNNGSSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001568485829 1124543480 /nfs/dbraw/zinc/54/34/80/1124543480.db2.gz LXFIXGLTIXKVNY-HKUYNNGSSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518942 1124583723 /nfs/dbraw/zinc/58/37/23/1124583723.db2.gz MMAQUNFOOGQPNV-PMACEKPBSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518942 1124583732 /nfs/dbraw/zinc/58/37/32/1124583732.db2.gz MMAQUNFOOGQPNV-PMACEKPBSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518942 1124583739 /nfs/dbraw/zinc/58/37/39/1124583739.db2.gz MMAQUNFOOGQPNV-PMACEKPBSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@@H]21 ZINC001568518942 1124583748 /nfs/dbraw/zinc/58/37/48/1124583748.db2.gz MMAQUNFOOGQPNV-PMACEKPBSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1C ZINC001568863456 1124887877 /nfs/dbraw/zinc/88/78/77/1124887877.db2.gz GRMLXZGHKMCBJI-PRPIBZDOSA-N 2 1 339.483 2.163 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1C ZINC001568863456 1124887886 /nfs/dbraw/zinc/88/78/86/1124887886.db2.gz GRMLXZGHKMCBJI-PRPIBZDOSA-N 2 1 339.483 2.163 10 30 EEEEMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594445175 468591870 /nfs/dbraw/zinc/59/18/70/468591870.db2.gz BCFCDAAWRMKWPH-CVEARBPZSA-N 2 1 336.867 2.470 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602583715 469371763 /nfs/dbraw/zinc/37/17/63/469371763.db2.gz RVFRMFXVNNFQMM-BHIYHBOVSA-N 2 1 342.487 2.282 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697817 472213972 /nfs/dbraw/zinc/21/39/72/472213972.db2.gz CJYOHCHLUQWBSS-JXFKEZNVSA-N 2 1 327.472 2.248 10 30 EEEEMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261980230 676885610 /nfs/dbraw/zinc/88/56/10/676885610.db2.gz OSRANVZDJDOLGY-YLLORCDKSA-N 2 1 340.515 2.466 10 30 EEEEMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261997695 682763293 /nfs/dbraw/zinc/76/32/93/682763293.db2.gz SWJFDTAYBLBNOY-WOSRLPQWSA-N 2 1 335.496 2.289 10 30 EEEEMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262015853 682848552 /nfs/dbraw/zinc/84/85/52/682848552.db2.gz XSSXMAWYYUEDLW-CRAIPNDOSA-N 2 1 346.523 2.392 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCCC[N@H+]1CC)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000262809202 688511707 /nfs/dbraw/zinc/51/17/07/688511707.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCCC[NH+]1CC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262809202 688511709 /nfs/dbraw/zinc/51/17/09/688511709.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCCC[NH+]1CC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262809202 688511710 /nfs/dbraw/zinc/51/17/10/688511710.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 3 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCCCN1CC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262809202 688511712 /nfs/dbraw/zinc/51/17/12/688511712.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 2 1 349.567 2.431 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCCCN1CC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262809202 688511715 /nfs/dbraw/zinc/51/17/15/688511715.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 2 1 349.567 2.431 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC#Cc2cccc(Cl)c2)CCC1 ZINC001480873527 1176527067 /nfs/dbraw/zinc/52/70/67/1176527067.db2.gz OPOMRCRQPJNNGB-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)C1(C(=O)NCC[N@H+](C)CC#Cc2cccc(Cl)c2)CCC1 ZINC001480873527 1176527074 /nfs/dbraw/zinc/52/70/74/1176527074.db2.gz OPOMRCRQPJNNGB-UHFFFAOYSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001266436449 1176532559 /nfs/dbraw/zinc/53/25/59/1176532559.db2.gz DPBQQBFRHBNLDV-IBGZPJMESA-N 2 1 345.462 2.003 10 30 EEEEMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691441592 1178638930 /nfs/dbraw/zinc/63/89/30/1178638930.db2.gz JOLSTTXUBHICEQ-RTBURBONSA-N 2 1 341.499 2.489 10 30 EEEEMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001481290952 1180904681 /nfs/dbraw/zinc/90/46/81/1180904681.db2.gz ARCLMTLBDNYMBV-UHFFFAOYSA-N 2 1 345.472 2.153 10 30 EEEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481513928 1181613398 /nfs/dbraw/zinc/61/33/98/1181613398.db2.gz LSXUQSDPQYIQDY-IBGZPJMESA-N 2 1 333.520 2.465 10 30 EEEEMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268248379 1182078991 /nfs/dbraw/zinc/07/89/91/1182078991.db2.gz AMIUQWXSOGKKDV-LJQANCHMSA-N 2 1 347.478 2.154 10 30 EEEEMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268248379 1182079000 /nfs/dbraw/zinc/07/90/00/1182079000.db2.gz AMIUQWXSOGKKDV-LJQANCHMSA-N 2 1 347.478 2.154 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952745 1183023576 /nfs/dbraw/zinc/02/35/76/1183023576.db2.gz TWZXVFADHAHLEX-GOSISDBHSA-N 2 1 348.516 2.334 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001482042219 1183213786 /nfs/dbraw/zinc/21/37/86/1183213786.db2.gz FVCQVKLWPDLCDX-IBGZPJMESA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](CC)c1ccccc1 ZINC001268648711 1183576716 /nfs/dbraw/zinc/57/67/16/1183576716.db2.gz SWIXUOYKKPAPOU-QRQLOZEOSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](CC)c1ccccc1 ZINC001268648711 1183576720 /nfs/dbraw/zinc/57/67/20/1183576720.db2.gz SWIXUOYKKPAPOU-QRQLOZEOSA-N 2 1 327.472 2.330 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001482204170 1183946256 /nfs/dbraw/zinc/94/62/56/1183946256.db2.gz AXLKSVLTKMPJPT-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001270791677 1185391008 /nfs/dbraw/zinc/39/10/08/1185391008.db2.gz QCZLLXXUJPAMOX-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001270807180 1185406682 /nfs/dbraw/zinc/40/66/82/1185406682.db2.gz WGUYCZCLZNVVLC-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001482504480 1186414997 /nfs/dbraw/zinc/41/49/97/1186414997.db2.gz LYUHDNIFULSQPY-LJQANCHMSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001272227179 1188432848 /nfs/dbraw/zinc/43/28/48/1188432848.db2.gz UFJGBGSYNYIYJG-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678444 1190737974 /nfs/dbraw/zinc/73/79/74/1190737974.db2.gz AIJOJNSUEYNFJS-RTBURBONSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678444 1190737976 /nfs/dbraw/zinc/73/79/76/1190737976.db2.gz AIJOJNSUEYNFJS-RTBURBONSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001483989930 1191144854 /nfs/dbraw/zinc/14/48/54/1191144854.db2.gz ZNGWYCPQFCYNIO-UHFFFAOYSA-N 2 1 347.425 2.205 10 30 EEEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001484558596 1191414675 /nfs/dbraw/zinc/41/46/75/1191414675.db2.gz JOYAHNJBKCOYRG-INIZCTEOSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001484556004 1191418026 /nfs/dbraw/zinc/41/80/26/1191418026.db2.gz GYGQLQVXJPRPNY-ROUUACIJSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001484556004 1191418027 /nfs/dbraw/zinc/41/80/27/1191418027.db2.gz GYGQLQVXJPRPNY-ROUUACIJSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001484556004 1191418029 /nfs/dbraw/zinc/41/80/29/1191418029.db2.gz GYGQLQVXJPRPNY-ROUUACIJSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001484772538 1191515059 /nfs/dbraw/zinc/51/50/59/1191515059.db2.gz WFJISBPPDBJTJW-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772538 1191515061 /nfs/dbraw/zinc/51/50/61/1191515061.db2.gz WFJISBPPDBJTJW-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772538 1191515063 /nfs/dbraw/zinc/51/50/63/1191515063.db2.gz WFJISBPPDBJTJW-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001484977220 1191604697 /nfs/dbraw/zinc/60/46/97/1191604697.db2.gz QOKSXXDHMKYZFQ-LPHOPBHVSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001485239473 1191705630 /nfs/dbraw/zinc/70/56/30/1191705630.db2.gz POPUZZDLKUXSRL-BTCHSPJXSA-N 2 1 337.895 2.196 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001485239473 1191705632 /nfs/dbraw/zinc/70/56/32/1191705632.db2.gz POPUZZDLKUXSRL-BTCHSPJXSA-N 2 1 337.895 2.196 10 30 EEEEMP C#CCC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001486189337 1193731306 /nfs/dbraw/zinc/73/13/06/1193731306.db2.gz SZNOGQDMORXVCP-YZGWKJHDSA-N 2 1 341.499 2.057 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001273286757 1197958769 /nfs/dbraw/zinc/95/87/69/1197958769.db2.gz WYEHEVXPQMDGRL-KRWDZBQOSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274096506 1204368470 /nfs/dbraw/zinc/36/84/70/1204368470.db2.gz GAOVPBZOUVPRLE-LIHUFFQZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001274096506 1204368472 /nfs/dbraw/zinc/36/84/72/1204368472.db2.gz GAOVPBZOUVPRLE-LIHUFFQZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001274732125 1205145527 /nfs/dbraw/zinc/14/55/27/1205145527.db2.gz SPAUYFPFELNDRW-DBVUQKKJSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001274732125 1205145528 /nfs/dbraw/zinc/14/55/28/1205145528.db2.gz SPAUYFPFELNDRW-DBVUQKKJSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001275159423 1205269890 /nfs/dbraw/zinc/26/98/90/1205269890.db2.gz CEBWMOWVRXQIJS-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275159423 1205269891 /nfs/dbraw/zinc/26/98/91/1205269891.db2.gz CEBWMOWVRXQIJS-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275159423 1205269892 /nfs/dbraw/zinc/26/98/92/1205269892.db2.gz CEBWMOWVRXQIJS-RBUKOAKNSA-N 2 1 327.472 2.235 10 30 EEEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001276137719 1205794910 /nfs/dbraw/zinc/79/49/10/1205794910.db2.gz GLRPDOOFCUQXKQ-MJGOQNOKSA-N 2 1 344.503 2.240 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000900574219 1234505087 /nfs/dbraw/zinc/50/50/87/1234505087.db2.gz PTDOQZVBKKUTHI-QGZVFWFLSA-N 2 1 345.487 2.408 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001273599455 1280827525 /nfs/dbraw/zinc/82/75/25/1280827525.db2.gz RINLNWALFARJEP-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599455 1280827533 /nfs/dbraw/zinc/82/75/33/1280827533.db2.gz RINLNWALFARJEP-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001273599455 1280827548 /nfs/dbraw/zinc/82/75/48/1280827548.db2.gz RINLNWALFARJEP-OALUTQOASA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490773336 1291716710 /nfs/dbraw/zinc/71/67/10/1291716710.db2.gz ZORXMFIQDZWCTM-GDBMZVCRSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490773336 1291716714 /nfs/dbraw/zinc/71/67/14/1291716714.db2.gz ZORXMFIQDZWCTM-GDBMZVCRSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490773336 1291716719 /nfs/dbraw/zinc/71/67/19/1291716719.db2.gz ZORXMFIQDZWCTM-GDBMZVCRSA-N 2 1 327.900 2.251 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001276791947 1297752935 /nfs/dbraw/zinc/75/29/35/1297752935.db2.gz YVAIQUNLASNWEM-WMZOPIPTSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001277547453 1303884596 /nfs/dbraw/zinc/88/45/96/1303884596.db2.gz GASUSZWUTSKEAK-IEBWSBKVSA-N 2 1 327.472 2.189 10 30 EEEEMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278425626 1310207561 /nfs/dbraw/zinc/20/75/61/1310207561.db2.gz BZBSTKZIFIXTSW-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278425626 1310207567 /nfs/dbraw/zinc/20/75/67/1310207567.db2.gz BZBSTKZIFIXTSW-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278425626 1310207576 /nfs/dbraw/zinc/20/75/76/1310207576.db2.gz BZBSTKZIFIXTSW-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278425626 1310207580 /nfs/dbraw/zinc/20/75/80/1310207580.db2.gz BZBSTKZIFIXTSW-FQEVSTJZSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372593 1322679492 /nfs/dbraw/zinc/67/94/92/1322679492.db2.gz IEKQPQQNNBLRLA-QAPCUYQASA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001264372593 1322679494 /nfs/dbraw/zinc/67/94/94/1322679494.db2.gz IEKQPQQNNBLRLA-QAPCUYQASA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001264372593 1322679499 /nfs/dbraw/zinc/67/94/99/1322679499.db2.gz IEKQPQQNNBLRLA-QAPCUYQASA-N 2 1 325.472 2.308 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264372593 1322679501 /nfs/dbraw/zinc/67/95/01/1322679501.db2.gz IEKQPQQNNBLRLA-QAPCUYQASA-N 2 1 325.472 2.308 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC(C)C)CC1 ZINC001264745855 1322800179 /nfs/dbraw/zinc/80/01/79/1322800179.db2.gz YAKZRULPAKYVHV-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001264747116 1322801478 /nfs/dbraw/zinc/80/14/78/1322801478.db2.gz QFINAVDAUUGATL-HNNXBMFYSA-N 2 1 348.516 2.178 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526360 1323205033 /nfs/dbraw/zinc/20/50/33/1323205033.db2.gz YVMCAWQTLRLRIK-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001266231454 1323811009 /nfs/dbraw/zinc/81/10/09/1323811009.db2.gz IVSTYAUMDOYNIR-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231669 1323812035 /nfs/dbraw/zinc/81/20/35/1323812035.db2.gz NKTAITPEJXLVRL-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231669 1323812043 /nfs/dbraw/zinc/81/20/43/1323812043.db2.gz NKTAITPEJXLVRL-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001276624848 1324860879 /nfs/dbraw/zinc/86/08/79/1324860879.db2.gz NAWLDZGMSUOGRI-LJQANCHMSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001276624848 1324860887 /nfs/dbraw/zinc/86/08/87/1324860887.db2.gz NAWLDZGMSUOGRI-LJQANCHMSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001276624848 1324860893 /nfs/dbraw/zinc/86/08/93/1324860893.db2.gz NAWLDZGMSUOGRI-LJQANCHMSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001276624848 1324860900 /nfs/dbraw/zinc/86/09/00/1324860900.db2.gz NAWLDZGMSUOGRI-LJQANCHMSA-N 2 1 341.499 2.205 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773595 1325782317 /nfs/dbraw/zinc/78/23/17/1325782317.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001282773595 1325782320 /nfs/dbraw/zinc/78/23/20/1325782320.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001282773595 1325782323 /nfs/dbraw/zinc/78/23/23/1325782323.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283503799 1326102582 /nfs/dbraw/zinc/10/25/82/1326102582.db2.gz WUUDEHQKRWVEDT-IEBWSBKVSA-N 2 1 331.504 2.101 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284065214 1326388793 /nfs/dbraw/zinc/38/87/93/1326388793.db2.gz BDBTYANEPQJVQZ-ICSRJNTNSA-N 2 1 349.519 2.178 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284065214 1326388795 /nfs/dbraw/zinc/38/87/95/1326388795.db2.gz BDBTYANEPQJVQZ-ICSRJNTNSA-N 2 1 349.519 2.178 10 30 EEEEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578832 1330171554 /nfs/dbraw/zinc/17/15/54/1330171554.db2.gz HLESIZUDFWANJZ-CVEARBPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316807479 1331904163 /nfs/dbraw/zinc/90/41/63/1331904163.db2.gz ZMZCLPOGCUGHEZ-FQEVSTJZSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317157492 1332104204 /nfs/dbraw/zinc/10/42/04/1332104204.db2.gz JBXHWSGPKIFJDH-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001317224230 1332143399 /nfs/dbraw/zinc/14/33/99/1332143399.db2.gz XAPZZJAFDQQALY-AOCRQIFASA-N 2 1 337.508 2.080 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317307451 1332172867 /nfs/dbraw/zinc/17/28/67/1332172867.db2.gz XMRLNOLIYAMPNL-INIZCTEOSA-N 2 1 325.416 2.038 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001317511728 1332274959 /nfs/dbraw/zinc/27/49/59/1332274959.db2.gz CFLXWGNHQZDCTA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319470940 1332707536 /nfs/dbraw/zinc/70/75/36/1332707536.db2.gz ACJBRGCROFUGKF-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319470940 1332707538 /nfs/dbraw/zinc/70/75/38/1332707538.db2.gz ACJBRGCROFUGKF-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974952 1333800463 /nfs/dbraw/zinc/80/04/63/1333800463.db2.gz CQXXVCDXMDCYMJ-QUCCMNQESA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001331920235 1335675495 /nfs/dbraw/zinc/67/54/95/1335675495.db2.gz WMDXZUXFNMKCDC-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001663967956 1355064371 /nfs/dbraw/zinc/06/43/71/1355064371.db2.gz LLWLDDJKHHHVGO-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001663967956 1355064377 /nfs/dbraw/zinc/06/43/77/1355064377.db2.gz LLWLDDJKHHHVGO-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859832 1355245613 /nfs/dbraw/zinc/24/56/13/1355245613.db2.gz XMHPGQBHBIIRIK-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420793 1355738326 /nfs/dbraw/zinc/73/83/26/1355738326.db2.gz DFZIQCNERKJVHY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001667420793 1355738329 /nfs/dbraw/zinc/73/83/29/1355738329.db2.gz DFZIQCNERKJVHY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001667420793 1355738334 /nfs/dbraw/zinc/73/83/34/1355738334.db2.gz DFZIQCNERKJVHY-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(CC)c1 ZINC001668091981 1355868263 /nfs/dbraw/zinc/86/82/63/1355868263.db2.gz GOVZVAVGCZOEHD-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(CC)c1 ZINC001668091981 1355868269 /nfs/dbraw/zinc/86/82/69/1355868269.db2.gz GOVZVAVGCZOEHD-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCc1ccccc1C ZINC001669320702 1356144783 /nfs/dbraw/zinc/14/47/83/1356144783.db2.gz PYEYINZQTOSJPR-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCc1ccccc1C ZINC001669320702 1356144787 /nfs/dbraw/zinc/14/47/87/1356144787.db2.gz PYEYINZQTOSJPR-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001669664095 1356191470 /nfs/dbraw/zinc/19/14/70/1356191470.db2.gz CKKDTGDHUWQBQV-HOTGVXAUSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001671428630 1356337965 /nfs/dbraw/zinc/33/79/65/1356337965.db2.gz FZGZHDIEDVZLBI-UHFFFAOYSA-N 2 1 329.488 2.318 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCF)CC1 ZINC001671504356 1356352609 /nfs/dbraw/zinc/35/26/09/1356352609.db2.gz YPYSGKWYUPZAIR-AEFFLSMTSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C1([NH+](C)C)CCC1)CO2 ZINC001673561378 1356710968 /nfs/dbraw/zinc/71/09/68/1356710968.db2.gz PGGYFRRZKBOISY-KRWDZBQOSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001698882810 1405126485 /nfs/dbraw/zinc/12/64/85/1405126485.db2.gz JXTBWIAOHDHROL-HKUYNNGSSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852980 779436472 /nfs/dbraw/zinc/43/64/72/779436472.db2.gz ILDOHCJNIMLKGA-GOSISDBHSA-N 2 1 338.455 2.496 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238138 780225981 /nfs/dbraw/zinc/22/59/81/780225981.db2.gz UCCDZNPPQNLYLG-GOSISDBHSA-N 2 1 327.472 2.212 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000914100581 794867854 /nfs/dbraw/zinc/86/78/54/794867854.db2.gz HLROPLWIYXCFOT-HDICACEKSA-N 2 1 348.535 2.141 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583946 /nfs/dbraw/zinc/58/39/46/1125583946.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583950 /nfs/dbraw/zinc/58/39/50/1125583950.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583956 /nfs/dbraw/zinc/58/39/56/1125583956.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 2 1 339.524 2.136 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1C ZINC001566461886 1125621815 /nfs/dbraw/zinc/62/18/15/1125621815.db2.gz LKLPKTYGVGKOCD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1C ZINC001566461886 1125621817 /nfs/dbraw/zinc/62/18/17/1125621817.db2.gz LKLPKTYGVGKOCD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C ZINC001566461886 1125621818 /nfs/dbraw/zinc/62/18/18/1125621818.db2.gz LKLPKTYGVGKOCD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C ZINC001566461886 1125621820 /nfs/dbraw/zinc/62/18/20/1125621820.db2.gz LKLPKTYGVGKOCD-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001438430191 1090929021 /nfs/dbraw/zinc/92/90/21/1090929021.db2.gz ZNTQHCIVIXOEMU-FQEVSTJZSA-N 2 1 342.487 2.273 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001439243008 1091892977 /nfs/dbraw/zinc/89/29/77/1091892977.db2.gz SEWIBCROMGAMHD-QANKJYHBSA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001440359255 1093518602 /nfs/dbraw/zinc/51/86/02/1093518602.db2.gz YCYBMLGFHQQIPS-UHFFFAOYSA-N 2 1 334.489 2.088 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440362920 1093527180 /nfs/dbraw/zinc/52/71/80/1093527180.db2.gz PLAXCHRXZFTOAK-JCNLHEQBSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001449032754 1094044644 /nfs/dbraw/zinc/04/46/44/1094044644.db2.gz JAZLPCAPXZBJQX-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001449032754 1094044650 /nfs/dbraw/zinc/04/46/50/1094044650.db2.gz JAZLPCAPXZBJQX-BBRMVZONSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480238218 1099869916 /nfs/dbraw/zinc/86/99/16/1099869916.db2.gz PTLXQXXCGFBHPQ-TZRIAGMCSA-N 2 1 339.483 2.148 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001496415219 1101008961 /nfs/dbraw/zinc/00/89/61/1101008961.db2.gz NZSIKONSRUKNPI-MSOLQXFVSA-N 2 1 342.487 2.138 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659490 1107913434 /nfs/dbraw/zinc/91/34/34/1107913434.db2.gz YJHPUELCQPTEAF-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001479462453 1110698344 /nfs/dbraw/zinc/69/83/44/1110698344.db2.gz ZWYHOTXGNPYZCZ-LSDHHAIUSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccsc2)CC1 ZINC001506065434 1114389913 /nfs/dbraw/zinc/38/99/13/1114389913.db2.gz OXKXLZFSVPEHTM-OAHLLOKOSA-N 2 1 333.501 2.030 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001506854205 1114917522 /nfs/dbraw/zinc/91/75/22/1114917522.db2.gz LIFDMYLXVNJBKY-GBESFXJTSA-N 2 1 342.487 2.212 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001506854205 1114917525 /nfs/dbraw/zinc/91/75/25/1114917525.db2.gz LIFDMYLXVNJBKY-GBESFXJTSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001506989180 1115035091 /nfs/dbraw/zinc/03/50/91/1115035091.db2.gz BHROQQVHNZJHOD-APWZRJJASA-N 2 1 339.499 2.343 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001568146421 1124326506 /nfs/dbraw/zinc/32/65/06/1124326506.db2.gz XTIGRVBWTOHVQL-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713985 1124731517 /nfs/dbraw/zinc/73/15/17/1124731517.db2.gz MLUVNMFAQATSOG-ICSRJNTNSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001568748723 1124763205 /nfs/dbraw/zinc/76/32/05/1124763205.db2.gz IHKBGPYOLTYLIB-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001568748723 1124763211 /nfs/dbraw/zinc/76/32/11/1124763211.db2.gz IHKBGPYOLTYLIB-IBGZPJMESA-N 2 1 345.462 2.170 10 30 EEEEMP CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000088959809 462650157 /nfs/dbraw/zinc/65/01/57/462650157.db2.gz PCSKDFGSYZIIMN-OAHLLOKOSA-N 2 1 348.495 2.230 10 30 EEEEMP C#CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000072284316 463497710 /nfs/dbraw/zinc/49/77/10/463497710.db2.gz YMLVHWUBHGPKHV-MRXNPFEDSA-N 2 1 333.501 2.031 10 30 EEEEMP C#CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072284316 463497712 /nfs/dbraw/zinc/49/77/12/463497712.db2.gz YMLVHWUBHGPKHV-MRXNPFEDSA-N 2 1 333.501 2.031 10 30 EEEEMP C#CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072284316 463497716 /nfs/dbraw/zinc/49/77/16/463497716.db2.gz YMLVHWUBHGPKHV-MRXNPFEDSA-N 2 1 333.501 2.031 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437893 468586601 /nfs/dbraw/zinc/58/66/01/468586601.db2.gz QAQOPVMWUNISHA-NXHRZFHOSA-N 2 1 328.460 2.034 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427887 468974282 /nfs/dbraw/zinc/97/42/82/468974282.db2.gz VJNPXYVUVUEJDY-QGZVFWFLSA-N 2 1 349.523 2.128 10 30 EEEEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000610989567 469132103 /nfs/dbraw/zinc/13/21/03/469132103.db2.gz OFXNUVOKBBVRNN-QRFRQXIXSA-N 2 1 345.487 2.154 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000663669285 471466805 /nfs/dbraw/zinc/46/68/05/471466805.db2.gz WFFLKXBIBFNMEC-QZTJIDSGSA-N 2 1 336.524 2.421 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000162279367 682314847 /nfs/dbraw/zinc/31/48/47/682314847.db2.gz HRINZHWFAQBKPT-FJIDUMEYSA-N 2 1 348.535 2.326 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871365 /nfs/dbraw/zinc/87/13/65/1191871365.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871367 /nfs/dbraw/zinc/87/13/67/1191871367.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871369 /nfs/dbraw/zinc/87/13/69/1191871369.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[NH2+]CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001485780016 1191949075 /nfs/dbraw/zinc/94/90/75/1191949075.db2.gz PYKLSVJTIZKGDU-HKUYNNGSSA-N 2 1 327.472 2.189 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001266353503 1176380122 /nfs/dbraw/zinc/38/01/22/1176380122.db2.gz WJQLEHOGYKOODK-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001266353503 1176380133 /nfs/dbraw/zinc/38/01/33/1176380133.db2.gz WJQLEHOGYKOODK-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C/C=C\c2ccccc2)CC1 ZINC001691000395 1176472340 /nfs/dbraw/zinc/47/23/40/1176472340.db2.gz FNBVAOWGSYIUSS-YFHOEESVSA-N 2 1 339.483 2.093 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001266487016 1176622245 /nfs/dbraw/zinc/62/22/45/1176622245.db2.gz YMNNMXNEAZUNCN-IXDOHACOSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001266527223 1176744121 /nfs/dbraw/zinc/74/41/21/1176744121.db2.gz KINHROHJCRHGKX-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001266544639 1176802785 /nfs/dbraw/zinc/80/27/85/1176802785.db2.gz FKOZYQASUROXOM-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001691101136 1177578171 /nfs/dbraw/zinc/57/81/71/1177578171.db2.gz QSMIOSUJHMLJEW-OKYOBFRVSA-N 2 1 333.520 2.251 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001691101136 1177578175 /nfs/dbraw/zinc/57/81/75/1177578175.db2.gz QSMIOSUJHMLJEW-OKYOBFRVSA-N 2 1 333.520 2.251 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191406 1178464788 /nfs/dbraw/zinc/46/47/88/1178464788.db2.gz ULJSJGDYFDJKQR-WBVHZDCISA-N 2 1 337.895 2.053 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191406 1178464794 /nfs/dbraw/zinc/46/47/94/1178464794.db2.gz ULJSJGDYFDJKQR-WBVHZDCISA-N 2 1 337.895 2.053 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001267233661 1178561138 /nfs/dbraw/zinc/56/11/38/1178561138.db2.gz VXWGCXIUOZDBJZ-UHFFFAOYSA-N 2 1 347.890 2.233 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001267603485 1179694044 /nfs/dbraw/zinc/69/40/44/1179694044.db2.gz WVGQXHXKCMGUSW-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001267603485 1179694046 /nfs/dbraw/zinc/69/40/46/1179694046.db2.gz WVGQXHXKCMGUSW-UHFFFAOYSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001481147859 1179919498 /nfs/dbraw/zinc/91/94/98/1179919498.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CCC[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001481147859 1179919507 /nfs/dbraw/zinc/91/95/07/1179919507.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP C#CCC[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001481147859 1179919513 /nfs/dbraw/zinc/91/95/13/1179919513.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267922816 1180770549 /nfs/dbraw/zinc/77/05/49/1180770549.db2.gz HMCNFOALKJGXDS-BZSNNMDCSA-N 2 1 339.524 2.304 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922816 1180770555 /nfs/dbraw/zinc/77/05/55/1180770555.db2.gz HMCNFOALKJGXDS-BZSNNMDCSA-N 2 1 339.524 2.304 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001267938347 1180793785 /nfs/dbraw/zinc/79/37/85/1180793785.db2.gz TYOQBCWHEIOJPC-PMACEKPBSA-N 2 1 339.483 2.433 10 30 EEEEMP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268187209 1181976620 /nfs/dbraw/zinc/97/66/20/1181976620.db2.gz OLJPMXZKMHIYDU-PBHICJAKSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001268214880 1182023743 /nfs/dbraw/zinc/02/37/43/1182023743.db2.gz XNAXMABNTCHUOX-HKUYNNGSSA-N 2 1 333.520 2.395 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759841 1183675296 /nfs/dbraw/zinc/67/52/96/1183675296.db2.gz OZVURCWZXVHWAU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001268759841 1183675298 /nfs/dbraw/zinc/67/52/98/1183675298.db2.gz OZVURCWZXVHWAU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001268759841 1183675301 /nfs/dbraw/zinc/67/53/01/1183675301.db2.gz OZVURCWZXVHWAU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001268759841 1183675302 /nfs/dbraw/zinc/67/53/02/1183675302.db2.gz OZVURCWZXVHWAU-QUCCMNQESA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760716 1183681018 /nfs/dbraw/zinc/68/10/18/1183681018.db2.gz XBWJNRPEDVTLTJ-LJQANCHMSA-N 2 1 341.499 2.351 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760716 1183681023 /nfs/dbraw/zinc/68/10/23/1183681023.db2.gz XBWJNRPEDVTLTJ-LJQANCHMSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268795404 1183712424 /nfs/dbraw/zinc/71/24/24/1183712424.db2.gz JBRLTPNTJNPHBZ-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001269428440 1184260040 /nfs/dbraw/zinc/26/00/40/1184260040.db2.gz LZNMTEIYLQTHAO-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001269428440 1184260045 /nfs/dbraw/zinc/26/00/45/1184260045.db2.gz LZNMTEIYLQTHAO-IBGZPJMESA-N 2 1 339.483 2.139 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001270292962 1184993318 /nfs/dbraw/zinc/99/33/18/1184993318.db2.gz DHHRRYRBODXKBM-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482329397 1185411471 /nfs/dbraw/zinc/41/14/71/1185411471.db2.gz BBAJDJUQIKRBTL-CYBMUJFWSA-N 2 1 340.855 2.073 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001271072609 1185859180 /nfs/dbraw/zinc/85/91/80/1185859180.db2.gz GCTMWPCMSVNZAD-QGZVFWFLSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271566446 1186317383 /nfs/dbraw/zinc/31/73/83/1186317383.db2.gz OXFXFRPYMOYVGO-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C2 ZINC001271750760 1186458751 /nfs/dbraw/zinc/45/87/51/1186458751.db2.gz UFJUEFSIXKMXSN-BCDXTJNWSA-N 2 1 349.519 2.033 10 30 EEEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825008 1193464584 /nfs/dbraw/zinc/46/45/84/1193464584.db2.gz WWTRGXXNYCIHEU-RTBURBONSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001272786701 1193498028 /nfs/dbraw/zinc/49/80/28/1193498028.db2.gz TUMAKWYMDIVUDR-UAPYVXQJSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001272786701 1193498030 /nfs/dbraw/zinc/49/80/30/1193498030.db2.gz TUMAKWYMDIVUDR-UAPYVXQJSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272343846 1190777991 /nfs/dbraw/zinc/77/79/91/1190777991.db2.gz PELZNJIFGSBSFY-RTBURBONSA-N 2 1 327.472 2.016 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001272343846 1190777994 /nfs/dbraw/zinc/77/79/94/1190777994.db2.gz PELZNJIFGSBSFY-RTBURBONSA-N 2 1 327.472 2.016 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356291 1191316534 /nfs/dbraw/zinc/31/65/34/1191316534.db2.gz BYMKXGXNWWGGST-UYAOXDASSA-N 2 1 341.499 2.205 10 30 EEEEMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484821062 1191540179 /nfs/dbraw/zinc/54/01/79/1191540179.db2.gz LIJDTVOCCAPAQC-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001484862900 1191554502 /nfs/dbraw/zinc/55/45/02/1191554502.db2.gz UMADUYNNDQDKIO-KRWDZBQOSA-N 2 1 337.508 2.080 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217472 1191689651 /nfs/dbraw/zinc/68/96/51/1191689651.db2.gz SCPAIUALYOQSTN-KBPBESRZSA-N 2 1 334.439 2.022 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001486183659 1193722795 /nfs/dbraw/zinc/72/27/95/1193722795.db2.gz KPEFDUUNUAOJDK-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001486183659 1193722800 /nfs/dbraw/zinc/72/28/00/1193722800.db2.gz KPEFDUUNUAOJDK-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001486183659 1193722804 /nfs/dbraw/zinc/72/28/04/1193722804.db2.gz KPEFDUUNUAOJDK-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001486183659 1193722809 /nfs/dbraw/zinc/72/28/09/1193722809.db2.gz KPEFDUUNUAOJDK-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272976569 1194285111 /nfs/dbraw/zinc/28/51/11/1194285111.db2.gz DZQYKSVPWFZDTF-GJYPPUQNSA-N 2 1 342.487 2.273 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001273261256 1197848321 /nfs/dbraw/zinc/84/83/21/1197848321.db2.gz SKMXOEPAKTWTBR-IEBWSBKVSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000877133513 1199867279 /nfs/dbraw/zinc/86/72/79/1199867279.db2.gz DQXLKRPUNUCFMA-COXVUDFISA-N 2 1 335.879 2.341 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609037 1205095630 /nfs/dbraw/zinc/09/56/30/1205095630.db2.gz HUOJNGLHFUXAOX-PXPVJAHISA-N 2 1 340.471 2.195 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001274950741 1205216834 /nfs/dbraw/zinc/21/68/34/1205216834.db2.gz VFRNHOFGFGQFHJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001274950741 1205216837 /nfs/dbraw/zinc/21/68/37/1205216837.db2.gz VFRNHOFGFGQFHJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001274950741 1205216842 /nfs/dbraw/zinc/21/68/42/1205216842.db2.gz VFRNHOFGFGQFHJ-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001279173216 1205232960 /nfs/dbraw/zinc/23/29/60/1205232960.db2.gz NECOMINQUDUIER-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001279173216 1205232962 /nfs/dbraw/zinc/23/29/62/1205232962.db2.gz NECOMINQUDUIER-SFHVURJKSA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275062499 1205246995 /nfs/dbraw/zinc/24/69/95/1205246995.db2.gz ATBADDXJCNITPG-VAMGGRTRSA-N 2 1 339.483 2.254 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001275159424 1205269875 /nfs/dbraw/zinc/26/98/75/1205269875.db2.gz CEBWMOWVRXQIJS-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275159424 1205269876 /nfs/dbraw/zinc/26/98/76/1205269876.db2.gz CEBWMOWVRXQIJS-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275159424 1205269877 /nfs/dbraw/zinc/26/98/77/1205269877.db2.gz CEBWMOWVRXQIJS-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948617 1239163488 /nfs/dbraw/zinc/16/34/88/1239163488.db2.gz VAEILXQHFFKFHN-BEFAXECRSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948617 1239163500 /nfs/dbraw/zinc/16/35/00/1239163500.db2.gz VAEILXQHFFKFHN-BEFAXECRSA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948617 1239163510 /nfs/dbraw/zinc/16/35/10/1239163510.db2.gz VAEILXQHFFKFHN-BEFAXECRSA-N 2 1 336.439 2.371 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)CC[NH+](C)C ZINC001490342996 1291158979 /nfs/dbraw/zinc/15/89/79/1291158979.db2.gz LWZSIWXFLKYKLE-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299338 1302258834 /nfs/dbraw/zinc/25/88/34/1302258834.db2.gz QIHGMOWZKQTIFK-IRXDYDNUSA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001278200708 1306285323 /nfs/dbraw/zinc/28/53/23/1306285323.db2.gz RPLBYVGBEXCSBZ-INIZCTEOSA-N 2 1 325.472 2.001 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451923 1310326637 /nfs/dbraw/zinc/32/66/37/1310326637.db2.gz YYILEXIGMXFTTE-PXNSSMCTSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676549 1310923522 /nfs/dbraw/zinc/92/35/22/1310923522.db2.gz ODSUQQBPNRKNBA-OALUTQOASA-N 2 1 348.535 2.284 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676549 1310923524 /nfs/dbraw/zinc/92/35/24/1310923524.db2.gz ODSUQQBPNRKNBA-OALUTQOASA-N 2 1 348.535 2.284 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001280822811 1314572593 /nfs/dbraw/zinc/57/25/93/1314572593.db2.gz QHNWHZLOIREQCB-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1 ZINC001280822811 1314572596 /nfs/dbraw/zinc/57/25/96/1314572596.db2.gz QHNWHZLOIREQCB-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001280822811 1314572600 /nfs/dbraw/zinc/57/26/00/1314572600.db2.gz QHNWHZLOIREQCB-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001280822811 1314572604 /nfs/dbraw/zinc/57/26/04/1314572604.db2.gz QHNWHZLOIREQCB-IBGZPJMESA-N 2 1 331.504 2.365 10 30 EEEEMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432114 1315914301 /nfs/dbraw/zinc/91/43/01/1315914301.db2.gz QVIGUXRJZLUCLD-INIZCTEOSA-N 2 1 329.444 2.274 10 30 EEEEMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432114 1315914302 /nfs/dbraw/zinc/91/43/02/1315914302.db2.gz QVIGUXRJZLUCLD-INIZCTEOSA-N 2 1 329.444 2.274 10 30 EEEEMP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001278918133 1318671853 /nfs/dbraw/zinc/67/18/53/1318671853.db2.gz OCAVMTDHHZKMLX-QGZVFWFLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001278918133 1318671868 /nfs/dbraw/zinc/67/18/68/1318671868.db2.gz OCAVMTDHHZKMLX-QGZVFWFLSA-N 2 1 332.492 2.499 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001264032033 1322592750 /nfs/dbraw/zinc/59/27/50/1322592750.db2.gz GHJLJXVFJNGRIK-NZSAHSFTSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001264189575 1322656662 /nfs/dbraw/zinc/65/66/62/1322656662.db2.gz BGOCSNCOLRNPKS-AWEZNQCLSA-N 2 1 348.516 2.178 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001264189575 1322656666 /nfs/dbraw/zinc/65/66/66/1322656666.db2.gz BGOCSNCOLRNPKS-AWEZNQCLSA-N 2 1 348.516 2.178 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001265368674 1323101504 /nfs/dbraw/zinc/10/15/04/1323101504.db2.gz VXTMPYQHGBQKFZ-OALUTQOASA-N 2 1 331.504 2.291 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074630 1323630290 /nfs/dbraw/zinc/63/02/90/1323630290.db2.gz CAFKOOBFXZGZNT-WOJBJXKFSA-N 2 1 341.499 2.397 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001279282161 1323863990 /nfs/dbraw/zinc/86/39/90/1323863990.db2.gz VDVOCNNQRAPDGQ-VJANTYMQSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001280452106 1324233385 /nfs/dbraw/zinc/23/33/85/1324233385.db2.gz NJKMHEOTBQAHQW-IAGOWNOFSA-N 2 1 330.476 2.301 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001280847981 1324570043 /nfs/dbraw/zinc/57/00/43/1324570043.db2.gz GGLUSZLLKRBNPS-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001280847981 1324570048 /nfs/dbraw/zinc/57/00/48/1324570048.db2.gz GGLUSZLLKRBNPS-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001280847981 1324570051 /nfs/dbraw/zinc/57/00/51/1324570051.db2.gz GGLUSZLLKRBNPS-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281969660 1325544936 /nfs/dbraw/zinc/54/49/36/1325544936.db2.gz WFYYETLNTANERO-FQEVSTJZSA-N 2 1 339.483 2.057 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001282884869 1325821919 /nfs/dbraw/zinc/82/19/19/1325821919.db2.gz GUARGLPMGBOXEH-OWZKRDHZSA-N 2 1 345.531 2.062 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810967 1331906833 /nfs/dbraw/zinc/90/68/33/1331906833.db2.gz MNWLHEKVTNNHQN-IRXDYDNUSA-N 2 1 339.499 2.296 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320550502 1332908075 /nfs/dbraw/zinc/90/80/75/1332908075.db2.gz XOJFSNFHMOYPES-CABCVRRESA-N 2 1 346.450 2.024 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001322770845 1333323890 /nfs/dbraw/zinc/32/38/90/1333323890.db2.gz XXACLWWEEDWMRV-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325052969 1333819038 /nfs/dbraw/zinc/81/90/38/1333819038.db2.gz DMVSOVMNFYNJEC-INIZCTEOSA-N 2 1 343.462 2.368 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327128348 1334228690 /nfs/dbraw/zinc/22/86/90/1334228690.db2.gz AWCHCSUDBOTHQD-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001327128348 1334228692 /nfs/dbraw/zinc/22/86/92/1334228692.db2.gz AWCHCSUDBOTHQD-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001327128348 1334228695 /nfs/dbraw/zinc/22/86/95/1334228695.db2.gz AWCHCSUDBOTHQD-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328129795 1334402291 /nfs/dbraw/zinc/40/22/91/1334402291.db2.gz YDTAXLWVYNLVDZ-IBGZPJMESA-N 2 1 341.499 2.417 10 30 EEEEMP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328693731 1334500496 /nfs/dbraw/zinc/50/04/96/1334500496.db2.gz MLURMYIHEGVSEG-BHIYHBOVSA-N 2 1 327.472 2.276 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001331644594 1335050924 /nfs/dbraw/zinc/05/09/24/1335050924.db2.gz PFKHHBSHTJTCJL-OJNRTJSBSA-N 2 1 346.302 2.087 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC001665805688 1355391637 /nfs/dbraw/zinc/39/16/37/1355391637.db2.gz XNBHBOSKDLLPAU-OALUTQOASA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC001665805688 1355391642 /nfs/dbraw/zinc/39/16/42/1355391642.db2.gz XNBHBOSKDLLPAU-OALUTQOASA-N 2 1 327.472 2.077 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001506576872 1342256550 /nfs/dbraw/zinc/25/65/50/1342256550.db2.gz WPARHZXQOLLHJT-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001506576872 1342256554 /nfs/dbraw/zinc/25/65/54/1342256554.db2.gz WPARHZXQOLLHJT-SFHVURJKSA-N 2 1 330.476 2.356 10 30 EEEEMP C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566724335 1342614695 /nfs/dbraw/zinc/61/46/95/1342614695.db2.gz HBQNGIXQRMGDCT-QAPCUYQASA-N 2 1 325.472 2.259 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC=C(C)C)C2)CC1 ZINC001567740911 1342830073 /nfs/dbraw/zinc/83/00/73/1342830073.db2.gz GQJJXCDPROZPKV-SFHVURJKSA-N 2 1 331.504 2.078 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001569859799 1342959749 /nfs/dbraw/zinc/95/97/49/1342959749.db2.gz FPRMBGZCKWUQIT-REPLKXPHSA-N 2 1 331.504 2.101 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC001571693656 1343275862 /nfs/dbraw/zinc/27/58/62/1343275862.db2.gz HOYWFDGPNMXTMB-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001571693656 1343275866 /nfs/dbraw/zinc/27/58/66/1343275866.db2.gz HOYWFDGPNMXTMB-UHFFFAOYSA-N 2 1 340.471 2.148 10 30 EEEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001657040794 1354311954 /nfs/dbraw/zinc/31/19/54/1354311954.db2.gz SXKPLZABPVMGFX-SQNIBIBYSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001657040794 1354311958 /nfs/dbraw/zinc/31/19/58/1354311958.db2.gz SXKPLZABPVMGFX-SQNIBIBYSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001657040794 1354311966 /nfs/dbraw/zinc/31/19/66/1354311966.db2.gz SXKPLZABPVMGFX-SQNIBIBYSA-N 2 1 339.524 2.257 10 30 EEEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001657040794 1354311968 /nfs/dbraw/zinc/31/19/68/1354311968.db2.gz SXKPLZABPVMGFX-SQNIBIBYSA-N 2 1 339.524 2.257 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1)C1CCC1 ZINC001660169682 1354409250 /nfs/dbraw/zinc/40/92/50/1354409250.db2.gz CUABLDWFRFAOPP-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(C#N)s1 ZINC001660169682 1354409253 /nfs/dbraw/zinc/40/92/53/1354409253.db2.gz CUABLDWFRFAOPP-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(C#N)s1 ZINC001660169682 1354409257 /nfs/dbraw/zinc/40/92/57/1354409257.db2.gz CUABLDWFRFAOPP-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838942 1354860821 /nfs/dbraw/zinc/86/08/21/1354860821.db2.gz LYYLELABQIMIDO-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838942 1354860825 /nfs/dbraw/zinc/86/08/25/1354860825.db2.gz LYYLELABQIMIDO-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662838942 1354860829 /nfs/dbraw/zinc/86/08/29/1354860829.db2.gz LYYLELABQIMIDO-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662838942 1354860831 /nfs/dbraw/zinc/86/08/31/1354860831.db2.gz LYYLELABQIMIDO-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001663731242 1355023362 /nfs/dbraw/zinc/02/33/62/1355023362.db2.gz VSELLGPXMBXDTO-XLIONFOSSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001663731242 1355023367 /nfs/dbraw/zinc/02/33/67/1355023367.db2.gz VSELLGPXMBXDTO-XLIONFOSSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001663731242 1355023371 /nfs/dbraw/zinc/02/33/71/1355023371.db2.gz VSELLGPXMBXDTO-XLIONFOSSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001663731242 1355023377 /nfs/dbraw/zinc/02/33/77/1355023377.db2.gz VSELLGPXMBXDTO-XLIONFOSSA-N 2 1 339.483 2.426 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001663928623 1355055376 /nfs/dbraw/zinc/05/53/76/1355055376.db2.gz XKSAWXPUMXKIFM-MRXNPFEDSA-N 2 1 334.489 2.041 10 30 EEEEMP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001665681751 1355358317 /nfs/dbraw/zinc/35/83/17/1355358317.db2.gz MSGXHFXSAQZRLT-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001667139965 1355656200 /nfs/dbraw/zinc/65/62/00/1355656200.db2.gz PNSJEGBBNRSVLU-YTQUADARSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001667144784 1355657499 /nfs/dbraw/zinc/65/74/99/1355657499.db2.gz SMRQFOYVHNPEGT-QGZVFWFLSA-N 2 1 330.476 2.294 10 30 EEEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001667181763 1355666484 /nfs/dbraw/zinc/66/64/84/1355666484.db2.gz AYWWFAMOXPIEPX-AEFFLSMTSA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001668092237 1355868658 /nfs/dbraw/zinc/86/86/58/1355868658.db2.gz LWVGFWYOINMTLE-QGZVFWFLSA-N 2 1 327.472 2.007 10 30 EEEEMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001672170303 1356472585 /nfs/dbraw/zinc/47/25/85/1356472585.db2.gz DQUWZKBKJWFPLS-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001672355660 1356507727 /nfs/dbraw/zinc/50/77/27/1356507727.db2.gz AVWVYJDRRGDEFS-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001672355660 1356507733 /nfs/dbraw/zinc/50/77/33/1356507733.db2.gz AVWVYJDRRGDEFS-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001672863609 1356602034 /nfs/dbraw/zinc/60/20/34/1356602034.db2.gz PBWRWEJBYUTCCN-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001674142528 1356797256 /nfs/dbraw/zinc/79/72/56/1356797256.db2.gz UEJGWKXHIDZRQE-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001691867015 1404955063 /nfs/dbraw/zinc/95/50/63/1404955063.db2.gz KZSJLQULFJVATC-HXUWFJFHSA-N 2 1 345.531 2.445 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001699827784 1405514283 /nfs/dbraw/zinc/51/42/83/1405514283.db2.gz SDLDSWSSASQTQS-HXUWFJFHSA-N 2 1 342.487 2.371 10 30 EEEEMP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032286 790848709 /nfs/dbraw/zinc/84/87/09/790848709.db2.gz SLSNMVWZHDOIPB-QWFCFKBJSA-N 2 1 339.483 2.111 10 30 EEEEMP C#C[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000847032286 790848722 /nfs/dbraw/zinc/84/87/22/790848722.db2.gz SLSNMVWZHDOIPB-QWFCFKBJSA-N 2 1 339.483 2.111 10 30 EEEEMP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032277 790849602 /nfs/dbraw/zinc/84/96/02/790849602.db2.gz SLSNMVWZHDOIPB-NLWGTHIKSA-N 2 1 339.483 2.111 10 30 EEEEMP C#C[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000847032277 790849621 /nfs/dbraw/zinc/84/96/21/790849621.db2.gz SLSNMVWZHDOIPB-NLWGTHIKSA-N 2 1 339.483 2.111 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001439244787 1091894795 /nfs/dbraw/zinc/89/47/95/1091894795.db2.gz RRELVKAYNMEOJN-UONOGXRCSA-N 2 1 346.313 2.111 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001440756805 1094000049 /nfs/dbraw/zinc/00/00/49/1094000049.db2.gz OBIJBLYSLJLFMM-HWOWSKLDSA-N 2 1 327.900 2.345 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257573 1094657267 /nfs/dbraw/zinc/65/72/67/1094657267.db2.gz HVPOASCPIRNGMP-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257573 1094657272 /nfs/dbraw/zinc/65/72/72/1094657272.db2.gz HVPOASCPIRNGMP-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257573 1094657290 /nfs/dbraw/zinc/65/72/90/1094657290.db2.gz HVPOASCPIRNGMP-SFHVURJKSA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849705 1095935391 /nfs/dbraw/zinc/93/53/91/1095935391.db2.gz MYJXOQCTMDKFQK-MAUKXSAKSA-N 2 1 328.460 2.025 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001442253651 1096554928 /nfs/dbraw/zinc/55/49/28/1096554928.db2.gz BQLLSFBILBFZOS-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855187 1099156798 /nfs/dbraw/zinc/15/67/98/1099156798.db2.gz XXWJIPIBPPECFZ-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855187 1099156804 /nfs/dbraw/zinc/15/68/04/1099156804.db2.gz XXWJIPIBPPECFZ-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP CC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855187 1099156809 /nfs/dbraw/zinc/15/68/09/1099156809.db2.gz XXWJIPIBPPECFZ-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001480358074 1100129546 /nfs/dbraw/zinc/12/95/46/1100129546.db2.gz LWIRTBCMXWZWKR-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001496572316 1101171944 /nfs/dbraw/zinc/17/19/44/1101171944.db2.gz BGNCRCDIPLPJIN-RTBURBONSA-N 2 1 342.487 2.273 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC001493897936 1103074207 /nfs/dbraw/zinc/07/42/07/1103074207.db2.gz IVPIKHBXLGJHCY-MJGOQNOKSA-N 2 1 338.455 2.387 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497831836 1103164569 /nfs/dbraw/zinc/16/45/69/1103164569.db2.gz VXFBWDZCPQRUOR-MJGOQNOKSA-N 2 1 327.472 2.007 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498042200 1106822069 /nfs/dbraw/zinc/82/20/69/1106822069.db2.gz LCJDDMQYAXFQDS-KSSFIOAISA-N 2 1 346.450 2.164 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCC=C)CC1 ZINC001493832661 1108715079 /nfs/dbraw/zinc/71/50/79/1108715079.db2.gz YLYDJQSALHEDIT-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCC=C)CC1 ZINC001493832661 1108715085 /nfs/dbraw/zinc/71/50/85/1108715085.db2.gz YLYDJQSALHEDIT-MJGOQNOKSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001499534812 1112349571 /nfs/dbraw/zinc/34/95/71/1112349571.db2.gz BUAZHRZXZUHQFA-UHFFFAOYSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001499929714 1112545021 /nfs/dbraw/zinc/54/50/21/1112545021.db2.gz KPTMHHJWPMCNDY-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001505397429 1113934967 /nfs/dbraw/zinc/93/49/67/1113934967.db2.gz FXGNOAQPXWQOGZ-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001505397429 1113934971 /nfs/dbraw/zinc/93/49/71/1113934971.db2.gz FXGNOAQPXWQOGZ-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001505397429 1113934974 /nfs/dbraw/zinc/93/49/74/1113934974.db2.gz FXGNOAQPXWQOGZ-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735012 1114158730 /nfs/dbraw/zinc/15/87/30/1114158730.db2.gz JSKJAWZKRGEWBL-ZIAGYGMSSA-N 2 1 334.439 2.022 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507011420 1115053177 /nfs/dbraw/zinc/05/31/77/1115053177.db2.gz DDYZEGCTCHYQPB-JKSUJKDBSA-N 2 1 327.900 2.438 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001507382944 1115241795 /nfs/dbraw/zinc/24/17/95/1115241795.db2.gz MAVBYFLWFGWVHU-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001507382944 1115241798 /nfs/dbraw/zinc/24/17/98/1115241798.db2.gz MAVBYFLWFGWVHU-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507382944 1115241801 /nfs/dbraw/zinc/24/18/01/1115241801.db2.gz MAVBYFLWFGWVHU-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507382944 1115241805 /nfs/dbraw/zinc/24/18/05/1115241805.db2.gz MAVBYFLWFGWVHU-PKOBYXMFSA-N 2 1 329.488 2.316 10 30 EEEEMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001567990437 1124219481 /nfs/dbraw/zinc/21/94/81/1124219481.db2.gz HROVOGIXMZGCMP-GOSISDBHSA-N 2 1 333.451 2.002 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001568642241 1124655317 /nfs/dbraw/zinc/65/53/17/1124655317.db2.gz JWGDJGXRFSGDQS-WUOGDMFISA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001568642241 1124655322 /nfs/dbraw/zinc/65/53/22/1124655322.db2.gz JWGDJGXRFSGDQS-WUOGDMFISA-N 2 1 339.483 2.282 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000174894045 464465312 /nfs/dbraw/zinc/46/53/12/464465312.db2.gz LWOLZKUMBSXNQU-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000174894045 464465316 /nfs/dbraw/zinc/46/53/16/464465316.db2.gz LWOLZKUMBSXNQU-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439147 468587743 /nfs/dbraw/zinc/58/77/43/468587743.db2.gz SUPOOBAHHYEGCI-MOPGFXCFSA-N 2 1 342.487 2.078 10 30 EEEEMP CC(C)(C#N)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594497509 468609026 /nfs/dbraw/zinc/60/90/26/468609026.db2.gz CRUPDUANVVSYCZ-KRWDZBQOSA-N 2 1 342.487 2.165 10 30 EEEEMP C[C@H](CC#N)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602592706 469375734 /nfs/dbraw/zinc/37/57/34/469375734.db2.gz KWTACNKADCDWGK-MRXNPFEDSA-N 2 1 328.460 2.131 10 30 EEEEMP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000158892281 679364952 /nfs/dbraw/zinc/36/49/52/679364952.db2.gz KFUNEEFRODJCAG-LJQANCHMSA-N 2 1 327.472 2.283 10 30 EEEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905098670 694528956 /nfs/dbraw/zinc/52/89/56/694528956.db2.gz VPLWIWXSPQIIJE-KRWDZBQOSA-N 2 1 329.444 2.148 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCCC=C)CC2)CC1 ZINC001485766870 1191941213 /nfs/dbraw/zinc/94/12/13/1191941213.db2.gz BLGIOCAAYAZHHI-UHFFFAOYSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001485780017 1191949174 /nfs/dbraw/zinc/94/91/74/1191949174.db2.gz PYKLSVJTIZKGDU-IEBWSBKVSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001691979156 1176483028 /nfs/dbraw/zinc/48/30/28/1176483028.db2.gz FWUBUUNNIFCHAS-IBGZPJMESA-N 2 1 329.488 2.127 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691979156 1176483036 /nfs/dbraw/zinc/48/30/36/1176483036.db2.gz FWUBUUNNIFCHAS-IBGZPJMESA-N 2 1 329.488 2.127 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001691979156 1176483041 /nfs/dbraw/zinc/48/30/41/1176483041.db2.gz FWUBUUNNIFCHAS-IBGZPJMESA-N 2 1 329.488 2.127 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266807896 1177464240 /nfs/dbraw/zinc/46/42/40/1177464240.db2.gz VFOXZARABDCLPM-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC001691350184 1177946696 /nfs/dbraw/zinc/94/66/96/1177946696.db2.gz PYNXPQOQBUXHNF-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC001691350184 1177946700 /nfs/dbraw/zinc/94/67/00/1177946700.db2.gz PYNXPQOQBUXHNF-SFHVURJKSA-N 2 1 347.890 2.028 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001267109128 1178264333 /nfs/dbraw/zinc/26/43/33/1178264333.db2.gz BZPLSWSZMHMXBW-OKILXGFUSA-N 2 1 334.489 2.041 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC/C=C/CCC)CC1 ZINC001267717376 1180268666 /nfs/dbraw/zinc/26/86/66/1180268666.db2.gz UEXPUIVJKJRJRS-ZBWOGFRMSA-N 2 1 343.515 2.363 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791706 1180540582 /nfs/dbraw/zinc/54/05/82/1180540582.db2.gz WNLLXFHNDSZHLV-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791706 1180540587 /nfs/dbraw/zinc/54/05/87/1180540587.db2.gz WNLLXFHNDSZHLV-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791706 1180540590 /nfs/dbraw/zinc/54/05/90/1180540590.db2.gz WNLLXFHNDSZHLV-APWZRJJASA-N 2 1 337.483 2.145 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481528757 1181653972 /nfs/dbraw/zinc/65/39/72/1181653972.db2.gz DFMUUSWZOFWHLP-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292225 1182184044 /nfs/dbraw/zinc/18/40/44/1182184044.db2.gz WKXZBHFQGXYNFI-UXHICEINSA-N 2 1 341.499 2.254 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820653 1182749330 /nfs/dbraw/zinc/74/93/30/1182749330.db2.gz GWTDTIUUFVKEEF-RTBURBONSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001482028084 1183158514 /nfs/dbraw/zinc/15/85/14/1183158514.db2.gz ZUQTZZAQGNZYFK-HDJSIYSDSA-N 2 1 346.313 2.252 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268543573 1183216237 /nfs/dbraw/zinc/21/62/37/1183216237.db2.gz WLBZANQXEWJARH-LLHWWHOWSA-N 2 1 340.471 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001482109653 1183339076 /nfs/dbraw/zinc/33/90/76/1183339076.db2.gz HAEYDNXORZMZKJ-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001482109653 1183339080 /nfs/dbraw/zinc/33/90/80/1183339080.db2.gz HAEYDNXORZMZKJ-KXBFYZLASA-N 2 1 345.462 2.074 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482161082 1183484517 /nfs/dbraw/zinc/48/45/17/1183484517.db2.gz BVMFZTMXJKDGLY-INIZCTEOSA-N 2 1 349.906 2.375 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268617243 1183534909 /nfs/dbraw/zinc/53/49/09/1183534909.db2.gz RDTMXBFPRLSELG-SNAWJCMRSA-N 2 1 347.890 2.295 10 30 EEEEMP C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268736163 1183657528 /nfs/dbraw/zinc/65/75/28/1183657528.db2.gz QNRBXWWNHIXGDO-QFBILLFUSA-N 2 1 345.462 2.098 10 30 EEEEMP C=C(C)CC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268878686 1183787275 /nfs/dbraw/zinc/78/72/75/1183787275.db2.gz BOQZXHLOOTXOFK-SFHVURJKSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001269553596 1184383376 /nfs/dbraw/zinc/38/33/76/1184383376.db2.gz WLPMGIYOSJNFNQ-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648919 1185264404 /nfs/dbraw/zinc/26/44/04/1185264404.db2.gz KITKSXWQDDAQIW-UYAOXDASSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001270648919 1185264410 /nfs/dbraw/zinc/26/44/10/1185264410.db2.gz KITKSXWQDDAQIW-UYAOXDASSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271008483 1185807585 /nfs/dbraw/zinc/80/75/85/1185807585.db2.gz YFGDIJKJQYADLX-HXUWFJFHSA-N 2 1 333.520 2.494 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482455266 1185869332 /nfs/dbraw/zinc/86/93/32/1185869332.db2.gz HBNBGCLVKWICMA-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001271100695 1185889088 /nfs/dbraw/zinc/88/90/88/1185889088.db2.gz MUORLDCAVFJKDJ-INIZCTEOSA-N 2 1 343.462 2.368 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001670989055 1193539744 /nfs/dbraw/zinc/53/97/44/1193539744.db2.gz GNRQDIMALCWAPC-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001670989055 1193539745 /nfs/dbraw/zinc/53/97/45/1193539745.db2.gz GNRQDIMALCWAPC-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001670989055 1193539747 /nfs/dbraw/zinc/53/97/47/1193539747.db2.gz GNRQDIMALCWAPC-SFHVURJKSA-N 2 1 331.504 2.055 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001409265275 1188283158 /nfs/dbraw/zinc/28/31/58/1188283158.db2.gz CSFUMWGSUZFLQC-GPANFISMSA-N 2 1 327.900 2.486 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCc1ccccc1 ZINC001483348795 1190384998 /nfs/dbraw/zinc/38/49/98/1190384998.db2.gz APUWACYXSYVJSG-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCc1ccccc1 ZINC001483348795 1190385002 /nfs/dbraw/zinc/38/50/02/1190385002.db2.gz APUWACYXSYVJSG-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCc1ccccc1 ZINC001483348795 1190385007 /nfs/dbraw/zinc/38/50/07/1190385007.db2.gz APUWACYXSYVJSG-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCc1ccccc1 ZINC001483348795 1190385014 /nfs/dbraw/zinc/38/50/14/1190385014.db2.gz APUWACYXSYVJSG-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCc1ccccc1 ZINC001483348795 1190385016 /nfs/dbraw/zinc/38/50/16/1190385016.db2.gz APUWACYXSYVJSG-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420320 1190466188 /nfs/dbraw/zinc/46/61/88/1190466188.db2.gz HWJHRANXJICPFT-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420320 1190466190 /nfs/dbraw/zinc/46/61/90/1190466190.db2.gz HWJHRANXJICPFT-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001483420320 1190466191 /nfs/dbraw/zinc/46/61/91/1190466191.db2.gz HWJHRANXJICPFT-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001483420320 1190466192 /nfs/dbraw/zinc/46/61/92/1190466192.db2.gz HWJHRANXJICPFT-RHSMWYFYSA-N 2 1 348.516 2.431 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001486089239 1193678357 /nfs/dbraw/zinc/67/83/57/1193678357.db2.gz PGYAPRULYHARAG-GOEBONIOSA-N 2 1 332.448 2.039 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272320526 1190759834 /nfs/dbraw/zinc/75/98/34/1190759834.db2.gz BALCYWBEUFMRIT-YJBOKZPZSA-N 2 1 339.443 2.332 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001272465859 1190836584 /nfs/dbraw/zinc/83/65/84/1190836584.db2.gz MBHXOVRIDQYFJQ-HOTGVXAUSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)C)CC1 ZINC001484568557 1191421515 /nfs/dbraw/zinc/42/15/15/1191421515.db2.gz MILUSWIITNAPIX-FHWLQOOXSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)C)CC1 ZINC001484568557 1191421518 /nfs/dbraw/zinc/42/15/18/1191421518.db2.gz MILUSWIITNAPIX-FHWLQOOXSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001484982842 1191600808 /nfs/dbraw/zinc/60/08/08/1191600808.db2.gz NWEYACHNWRMWDO-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001484982842 1191600810 /nfs/dbraw/zinc/60/08/10/1191600810.db2.gz NWEYACHNWRMWDO-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386837 1191774585 /nfs/dbraw/zinc/77/45/85/1191774585.db2.gz AMFGYWLNPQHFRI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001485386837 1191774587 /nfs/dbraw/zinc/77/45/87/1191774587.db2.gz AMFGYWLNPQHFRI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001485386837 1191774589 /nfs/dbraw/zinc/77/45/89/1191774589.db2.gz AMFGYWLNPQHFRI-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272976568 1194285158 /nfs/dbraw/zinc/28/51/58/1194285158.db2.gz DZQYKSVPWFZDTF-BXWFABGCSA-N 2 1 342.487 2.273 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001279180473 1198405275 /nfs/dbraw/zinc/40/52/75/1198405275.db2.gz DVILDYUTCMYQRP-KGLIPLIRSA-N 2 1 335.414 2.273 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)C[NH+]1CCCC1 ZINC001493058061 1198785021 /nfs/dbraw/zinc/78/50/21/1198785021.db2.gz DWDVURAXCYYFJO-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP C(#CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565850 1201144860 /nfs/dbraw/zinc/14/48/60/1201144860.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879565850 1201144857 /nfs/dbraw/zinc/14/48/57/1201144857.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 2 1 336.570 2.360 10 30 EEEEMP C(#CC[N@H+]1CC[C@@H]2CSC[C@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565850 1201144863 /nfs/dbraw/zinc/14/48/63/1201144863.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 2 1 336.570 2.360 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274840538 1205181925 /nfs/dbraw/zinc/18/19/25/1205181925.db2.gz ICZNPFXCZWTFFB-AZUAARDMSA-N 2 1 341.499 2.397 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275709227 1205493859 /nfs/dbraw/zinc/49/38/59/1205493859.db2.gz DMBLUTRJZGMIFW-MRXNPFEDSA-N 2 1 332.492 2.404 10 30 EEEEMP CN(CCC#N)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699123 1248656312 /nfs/dbraw/zinc/65/63/12/1248656312.db2.gz FKDXNBKGIDBGAC-FQEVSTJZSA-N 2 1 342.487 2.067 10 30 EEEEMP CN(CCC#N)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699123 1248656327 /nfs/dbraw/zinc/65/63/27/1248656327.db2.gz FKDXNBKGIDBGAC-FQEVSTJZSA-N 2 1 342.487 2.067 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273752936 1284818554 /nfs/dbraw/zinc/81/85/54/1284818554.db2.gz MRSCGNUEYUIAKS-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCC=C)CC1 ZINC001273763007 1285045501 /nfs/dbraw/zinc/04/55/01/1285045501.db2.gz MDLHIEOWMGXGCJ-SFHVURJKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCC=C)CC1 ZINC001273763007 1285045510 /nfs/dbraw/zinc/04/55/10/1285045510.db2.gz MDLHIEOWMGXGCJ-SFHVURJKSA-N 2 1 331.504 2.411 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489347543 1290530309 /nfs/dbraw/zinc/53/03/09/1290530309.db2.gz AJOIFTRYFHXSQK-IRXDYDNUSA-N 2 1 339.524 2.136 10 30 EEEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281484943 1303555820 /nfs/dbraw/zinc/55/58/20/1303555820.db2.gz IVPJMXFKMLQGRB-QGZVFWFLSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281484943 1303555825 /nfs/dbraw/zinc/55/58/25/1303555825.db2.gz 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CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114813 1335732672 /nfs/dbraw/zinc/73/26/72/1335732672.db2.gz APMUSQHNOHJEKP-FPOVZHCZSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114813 1335732676 /nfs/dbraw/zinc/73/26/76/1335732676.db2.gz APMUSQHNOHJEKP-FPOVZHCZSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@H]12 ZINC001332114813 1335732679 /nfs/dbraw/zinc/73/26/79/1335732679.db2.gz APMUSQHNOHJEKP-FPOVZHCZSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378823 1335812954 /nfs/dbraw/zinc/81/29/54/1335812954.db2.gz DPRQFBHMSIBCII-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CC[N@@H+](C)CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001332707210 1335888023 /nfs/dbraw/zinc/88/80/23/1335888023.db2.gz JYGKWBMFWCMOTH-KRWDZBQOSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[N@H+](C)CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)C(C)C ZINC001332707210 1335888028 /nfs/dbraw/zinc/88/80/28/1335888028.db2.gz JYGKWBMFWCMOTH-KRWDZBQOSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[NH+](C)CCN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001332707210 1335888033 /nfs/dbraw/zinc/88/80/33/1335888033.db2.gz JYGKWBMFWCMOTH-KRWDZBQOSA-N 2 1 333.480 2.145 10 30 EEEEMP C=CC[NH+](C)CCN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001332707210 1335888038 /nfs/dbraw/zinc/88/80/38/1335888038.db2.gz JYGKWBMFWCMOTH-KRWDZBQOSA-N 2 1 333.480 2.145 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001332881155 1335924150 /nfs/dbraw/zinc/92/41/50/1335924150.db2.gz HIDOFOFOHPHPMX-ZWKOTPCHSA-N 2 1 329.488 2.433 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001480323947 1337998647 /nfs/dbraw/zinc/99/86/47/1337998647.db2.gz MWDVAMQRFHFKBM-CQSZACIVSA-N 2 1 334.489 2.042 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001480323947 1337998648 /nfs/dbraw/zinc/99/86/48/1337998648.db2.gz MWDVAMQRFHFKBM-CQSZACIVSA-N 2 1 334.489 2.042 10 30 EEEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001567626962 1342796262 /nfs/dbraw/zinc/79/62/62/1342796262.db2.gz LAPXWVRQDXLVGY-CQSZACIVSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001665686336 1355360614 /nfs/dbraw/zinc/36/06/14/1355360614.db2.gz HZWIYKAUZPWBTF-PKOBYXMFSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001666323324 1355508963 /nfs/dbraw/zinc/50/89/63/1355508963.db2.gz LANCSZQGAPAKCM-GUDVDZBRSA-N 2 1 327.472 2.330 10 30 EEEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001672391813 1356513713 /nfs/dbraw/zinc/51/37/13/1356513713.db2.gz AKFDXDZVXPMGRD-UHFFFAOYSA-N 2 1 326.444 2.386 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001674456879 1356836770 /nfs/dbraw/zinc/83/67/70/1356836770.db2.gz ANRILEGEHWIMBQ-YJBOKZPZSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001674456879 1356836773 /nfs/dbraw/zinc/83/67/73/1356836773.db2.gz ANRILEGEHWIMBQ-YJBOKZPZSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001674456879 1356836780 /nfs/dbraw/zinc/83/67/80/1356836780.db2.gz ANRILEGEHWIMBQ-YJBOKZPZSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001674456879 1356836784 /nfs/dbraw/zinc/83/67/84/1356836784.db2.gz ANRILEGEHWIMBQ-YJBOKZPZSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674490552 1356845404 /nfs/dbraw/zinc/84/54/04/1356845404.db2.gz CNIIELVLCRZIKI-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001674490552 1356845409 /nfs/dbraw/zinc/84/54/09/1356845409.db2.gz CNIIELVLCRZIKI-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001674499407 1356847901 /nfs/dbraw/zinc/84/79/01/1356847901.db2.gz IBRDKJJMZFMYHO-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674499970 1356848857 /nfs/dbraw/zinc/84/88/57/1356848857.db2.gz TZWQYBBAGYFQIV-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674499970 1356848858 /nfs/dbraw/zinc/84/88/58/1356848858.db2.gz TZWQYBBAGYFQIV-MOPGFXCFSA-N 2 1 327.472 2.235 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001675421893 1356977021 /nfs/dbraw/zinc/97/70/21/1356977021.db2.gz COMCOFZUMZAKAY-QUCCMNQESA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421893 1356977022 /nfs/dbraw/zinc/97/70/22/1356977022.db2.gz COMCOFZUMZAKAY-QUCCMNQESA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001675421893 1356977026 /nfs/dbraw/zinc/97/70/26/1356977026.db2.gz COMCOFZUMZAKAY-QUCCMNQESA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001675755460 1357046148 /nfs/dbraw/zinc/04/61/48/1357046148.db2.gz GNCUBKBFHITCJF-FHWLQOOXSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001675755460 1357046151 /nfs/dbraw/zinc/04/61/51/1357046151.db2.gz GNCUBKBFHITCJF-FHWLQOOXSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566000327 1125494771 /nfs/dbraw/zinc/49/47/71/1125494771.db2.gz BOPBOEHKBSBTFO-AQNXPRMDSA-N 2 1 341.499 2.180 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566000327 1125494774 /nfs/dbraw/zinc/49/47/74/1125494774.db2.gz BOPBOEHKBSBTFO-AQNXPRMDSA-N 2 1 341.499 2.180 10 30 EEEEMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001437683013 1090219808 /nfs/dbraw/zinc/21/98/08/1090219808.db2.gz BZYDQIUPEHORKI-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001437683013 1090219810 /nfs/dbraw/zinc/21/98/10/1090219810.db2.gz BZYDQIUPEHORKI-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437683013 1090219811 /nfs/dbraw/zinc/21/98/11/1090219811.db2.gz BZYDQIUPEHORKI-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001437683013 1090219815 /nfs/dbraw/zinc/21/98/15/1090219815.db2.gz BZYDQIUPEHORKI-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310183 1090787603 /nfs/dbraw/zinc/78/76/03/1090787603.db2.gz JELNBVGICPDOEA-CABCVRRESA-N 2 1 348.516 2.479 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001448681493 1093747556 /nfs/dbraw/zinc/74/75/56/1093747556.db2.gz KVNZGROCZLSNSM-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001448681493 1093747559 /nfs/dbraw/zinc/74/75/59/1093747559.db2.gz KVNZGROCZLSNSM-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001479815755 1099084000 /nfs/dbraw/zinc/08/40/00/1099084000.db2.gz MNYOFRCVKJUCBE-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001479815755 1099084009 /nfs/dbraw/zinc/08/40/09/1099084009.db2.gz MNYOFRCVKJUCBE-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001479815755 1099084024 /nfs/dbraw/zinc/08/40/24/1099084024.db2.gz MNYOFRCVKJUCBE-UHFFFAOYSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001480813528 1107164385 /nfs/dbraw/zinc/16/43/85/1107164385.db2.gz ICZNPFXCZWTFFB-UYAOXDASSA-N 2 1 341.499 2.397 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300717 1107247145 /nfs/dbraw/zinc/24/71/45/1107247145.db2.gz QZVIICQFVAYBFR-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300717 1107247152 /nfs/dbraw/zinc/24/71/52/1107247152.db2.gz QZVIICQFVAYBFR-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498300717 1107247155 /nfs/dbraw/zinc/24/71/55/1107247155.db2.gz QZVIICQFVAYBFR-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498300717 1107247160 /nfs/dbraw/zinc/24/71/60/1107247160.db2.gz QZVIICQFVAYBFR-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493762122 1108636656 /nfs/dbraw/zinc/63/66/56/1108636656.db2.gz QENFGTBVCGCYKH-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001499330731 1112237140 /nfs/dbraw/zinc/23/71/40/1112237140.db2.gz HBGYONQIELZMCV-HOTGVXAUSA-N 2 1 340.471 2.027 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001499330731 1112237141 /nfs/dbraw/zinc/23/71/41/1112237141.db2.gz HBGYONQIELZMCV-HOTGVXAUSA-N 2 1 340.471 2.027 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001500054298 1112595042 /nfs/dbraw/zinc/59/50/42/1112595042.db2.gz LLJBDGIZVDSQKN-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001500161645 1112648720 /nfs/dbraw/zinc/64/87/20/1112648720.db2.gz MPPMRWZYPBOZHK-IBGZPJMESA-N 2 1 331.504 2.056 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141035 1113613866 /nfs/dbraw/zinc/61/38/66/1113613866.db2.gz SRKXYDSAPABQAA-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141035 1113613868 /nfs/dbraw/zinc/61/38/68/1113613868.db2.gz SRKXYDSAPABQAA-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC[C@H](C)F)CC1 ZINC001505465495 1114000542 /nfs/dbraw/zinc/00/05/42/1114000542.db2.gz IPZLGBJYACXMMO-WMZOPIPTSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001506486204 1114643442 /nfs/dbraw/zinc/64/34/42/1114643442.db2.gz BJNLOZNEZVYWBR-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938238 1114987631 /nfs/dbraw/zinc/98/76/31/1114987631.db2.gz NXVDMPLGIDNUHV-MOPGFXCFSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001508030125 1115393544 /nfs/dbraw/zinc/39/35/44/1115393544.db2.gz PEWNKWNHPJQYKC-QYZOEREBSA-N 2 1 341.499 2.086 10 30 EEEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001508140122 1115426221 /nfs/dbraw/zinc/42/62/21/1115426221.db2.gz FITGRQWTTGZTGA-ACBHZAAOSA-N 2 1 327.472 2.282 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568279103 1124400908 /nfs/dbraw/zinc/40/09/08/1124400908.db2.gz IWGIIWASYBKMDE-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001569062053 1125073183 /nfs/dbraw/zinc/07/31/83/1125073183.db2.gz PPDVIGIDVFLBBL-SNRMKQJTSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001569062053 1125073198 /nfs/dbraw/zinc/07/31/98/1125073198.db2.gz PPDVIGIDVFLBBL-SNRMKQJTSA-N 2 1 345.462 2.469 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152541 1125131407 /nfs/dbraw/zinc/13/14/07/1125131407.db2.gz CTMINIAMJYNZDD-KRWDZBQOSA-N 2 1 345.531 2.348 10 30 EEEEMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366941209 466030179 /nfs/dbraw/zinc/03/01/79/466030179.db2.gz AIBLJCQBVDQYOC-JVSBHGNQSA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941209 466030187 /nfs/dbraw/zinc/03/01/87/466030187.db2.gz AIBLJCQBVDQYOC-JVSBHGNQSA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@H+]1CCC[C@H]1[C@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941209 466030195 /nfs/dbraw/zinc/03/01/95/466030195.db2.gz AIBLJCQBVDQYOC-JVSBHGNQSA-N 2 1 332.488 2.277 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440896 468589408 /nfs/dbraw/zinc/58/94/08/468589408.db2.gz JDFNTOWTIFLPEZ-ROUUACIJSA-N 2 1 328.460 2.178 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691106034 1177584844 /nfs/dbraw/zinc/58/48/44/1177584844.db2.gz PEGMDEWFEPNPFN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691106034 1177584850 /nfs/dbraw/zinc/58/48/50/1177584850.db2.gz PEGMDEWFEPNPFN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691106034 1177584857 /nfs/dbraw/zinc/58/48/57/1177584857.db2.gz PEGMDEWFEPNPFN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691106034 1177584862 /nfs/dbraw/zinc/58/48/62/1177584862.db2.gz PEGMDEWFEPNPFN-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC2CCCC2)C2CC2)CC1 ZINC001267337619 1178783331 /nfs/dbraw/zinc/78/33/31/1178783331.db2.gz CETLTVIDSKHRQR-UHFFFAOYSA-N 2 1 345.531 2.493 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480986489 1179430042 /nfs/dbraw/zinc/43/00/42/1179430042.db2.gz XQEPKARMLUWZOG-UHFFFAOYSA-N 2 1 339.483 2.105 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480986489 1179430045 /nfs/dbraw/zinc/43/00/45/1179430045.db2.gz XQEPKARMLUWZOG-UHFFFAOYSA-N 2 1 339.483 2.105 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001481059784 1179653335 /nfs/dbraw/zinc/65/33/35/1179653335.db2.gz PIKJLEHCIFNRPH-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001481059784 1179653341 /nfs/dbraw/zinc/65/33/41/1179653341.db2.gz PIKJLEHCIFNRPH-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001481059784 1179653344 /nfs/dbraw/zinc/65/33/44/1179653344.db2.gz PIKJLEHCIFNRPH-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481409250 1181242317 /nfs/dbraw/zinc/24/23/17/1181242317.db2.gz KWYPOGZUSKZCTL-LJQANCHMSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1CC ZINC001268067085 1181660692 /nfs/dbraw/zinc/66/06/92/1181660692.db2.gz DLBXAVQIRHEWEC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1CC ZINC001268067085 1181660696 /nfs/dbraw/zinc/66/06/96/1181660696.db2.gz DLBXAVQIRHEWEC-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001268224825 1182037548 /nfs/dbraw/zinc/03/75/48/1182037548.db2.gz ORDOPZRLKJEWTM-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001268224825 1182037554 /nfs/dbraw/zinc/03/75/54/1182037554.db2.gz ORDOPZRLKJEWTM-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001482101994 1183334796 /nfs/dbraw/zinc/33/47/96/1183334796.db2.gz ICXDJLAGHNBBNN-YZGWKJHDSA-N 2 1 341.499 2.110 10 30 EEEEMP C=CCOCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278850 1184130536 /nfs/dbraw/zinc/13/05/36/1184130536.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001269278850 1184130538 /nfs/dbraw/zinc/13/05/38/1184130538.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001269278850 1184130541 /nfs/dbraw/zinc/13/05/41/1184130541.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278850 1184130545 /nfs/dbraw/zinc/13/05/45/1184130545.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001269278850 1184130547 /nfs/dbraw/zinc/13/05/47/1184130547.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737693 1185357960 /nfs/dbraw/zinc/35/79/60/1185357960.db2.gz ROWZJRUYCUDDBQ-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737693 1185357964 /nfs/dbraw/zinc/35/79/64/1185357964.db2.gz ROWZJRUYCUDDBQ-FPOVZHCZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001271806284 1186503906 /nfs/dbraw/zinc/50/39/06/1186503906.db2.gz LCQYKPBXEAOLCH-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)ccc1C ZINC001272033562 1187100407 /nfs/dbraw/zinc/10/04/07/1187100407.db2.gz QJHSSHXAHQIBMB-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)ccc1C ZINC001272033562 1187100409 /nfs/dbraw/zinc/10/04/09/1187100409.db2.gz QJHSSHXAHQIBMB-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)ccc1C ZINC001272033562 1187100412 /nfs/dbraw/zinc/10/04/12/1187100412.db2.gz QJHSSHXAHQIBMB-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)ccc1C ZINC001272033562 1187100418 /nfs/dbraw/zinc/10/04/18/1187100418.db2.gz QJHSSHXAHQIBMB-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001272071325 1187384344 /nfs/dbraw/zinc/38/43/44/1187384344.db2.gz GFALZGUHVPLXRV-GVDBMIGSSA-N 2 1 325.472 2.165 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001483615920 1190591462 /nfs/dbraw/zinc/59/14/62/1190591462.db2.gz PHLFGPPSULRKCM-HOCLYGCPSA-N 2 1 334.464 2.143 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001272535565 1190870664 /nfs/dbraw/zinc/87/06/64/1190870664.db2.gz XSTBKLQSIZYQSW-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483985003 1191142495 /nfs/dbraw/zinc/14/24/95/1191142495.db2.gz HQTMOMARXJZNEJ-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483985959 1191143079 /nfs/dbraw/zinc/14/30/79/1191143079.db2.gz PQZXQYBBUOUTJF-OVKVCFKUSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483989012 1191144425 /nfs/dbraw/zinc/14/44/25/1191144425.db2.gz UBCKXLQVRWJMCI-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356290 1191316449 /nfs/dbraw/zinc/31/64/49/1191316449.db2.gz BYMKXGXNWWGGST-QUCCMNQESA-N 2 1 341.499 2.205 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001273018878 1194324916 /nfs/dbraw/zinc/32/49/16/1194324916.db2.gz PSRSKLSKAZDVNB-CYBMUJFWSA-N 2 1 348.329 2.357 10 30 EEEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000865494636 1198245694 /nfs/dbraw/zinc/24/56/94/1198245694.db2.gz GAMKEBILMMNHGI-VQTJNVASSA-N 2 1 342.487 2.092 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000876714834 1199735528 /nfs/dbraw/zinc/73/55/28/1199735528.db2.gz COIPTSAZDDHQKQ-MRXNPFEDSA-N 2 1 339.842 2.330 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000876714834 1199735533 /nfs/dbraw/zinc/73/55/33/1199735533.db2.gz COIPTSAZDDHQKQ-MRXNPFEDSA-N 2 1 339.842 2.330 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000876837792 1199791603 /nfs/dbraw/zinc/79/16/03/1199791603.db2.gz FUSZTIYTUBIKNL-KGLIPLIRSA-N 2 1 328.243 2.283 10 30 EEEEMP C#CCOc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665191 1200015765 /nfs/dbraw/zinc/01/57/65/1200015765.db2.gz KYVHIWAJHQCRRF-UHFFFAOYSA-N 2 1 330.472 2.489 10 30 EEEEMP C=CCN1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021485 1201349801 /nfs/dbraw/zinc/34/98/01/1201349801.db2.gz BWHKZAUCEHQXSI-IRFCIJBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021485 1201349805 /nfs/dbraw/zinc/34/98/05/1201349805.db2.gz BWHKZAUCEHQXSI-IRFCIJBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021485 1201349809 /nfs/dbraw/zinc/34/98/09/1201349809.db2.gz BWHKZAUCEHQXSI-IRFCIJBXSA-N 2 1 339.483 2.227 10 30 EEEEMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000880021485 1201349815 /nfs/dbraw/zinc/34/98/15/1201349815.db2.gz BWHKZAUCEHQXSI-IRFCIJBXSA-N 2 1 339.483 2.227 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000866615083 1201560422 /nfs/dbraw/zinc/56/04/22/1201560422.db2.gz BBGZATABXMIXMO-WOJBJXKFSA-N 2 1 325.456 2.258 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000886579602 1202526744 /nfs/dbraw/zinc/52/67/44/1202526744.db2.gz AIMXPMILBDRKCY-KRWDZBQOSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001274856455 1205188955 /nfs/dbraw/zinc/18/89/55/1205188955.db2.gz KYARSFLWHJSHOW-OALUTQOASA-N 2 1 327.472 2.066 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001274856455 1205188956 /nfs/dbraw/zinc/18/89/56/1205188956.db2.gz KYARSFLWHJSHOW-OALUTQOASA-N 2 1 327.472 2.066 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC/C=C\CC ZINC001275116397 1205260846 /nfs/dbraw/zinc/26/08/46/1205260846.db2.gz XLMRDCFSERIHRM-RJCMGOLDSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC/C=C\CC ZINC001275116397 1205260847 /nfs/dbraw/zinc/26/08/47/1205260847.db2.gz XLMRDCFSERIHRM-RJCMGOLDSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C\CC ZINC001275116397 1205260849 /nfs/dbraw/zinc/26/08/49/1205260849.db2.gz XLMRDCFSERIHRM-RJCMGOLDSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC/C=C\CC ZINC001275116397 1205260851 /nfs/dbraw/zinc/26/08/51/1205260851.db2.gz XLMRDCFSERIHRM-RJCMGOLDSA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902789602 1238537465 /nfs/dbraw/zinc/53/74/65/1238537465.db2.gz IKFZJZJOSJWQJP-IEBWSBKVSA-N 2 1 337.508 2.034 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC#Cc1ccccc1 ZINC001489338960 1290522594 /nfs/dbraw/zinc/52/25/94/1290522594.db2.gz NAIWESYTYRXTNO-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP N#CC1(c2ccccc2)CC([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC001119632364 1309144231 /nfs/dbraw/zinc/14/42/31/1309144231.db2.gz SNNPNQYYVDNHQH-UHFFFAOYSA-N 2 1 326.488 2.275 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001279089651 1319228852 /nfs/dbraw/zinc/22/88/52/1319228852.db2.gz KETRFMLMPHPNTQ-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279097981 1319255806 /nfs/dbraw/zinc/25/58/06/1319255806.db2.gz YJWBPWPORJYYRA-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001262019527 1322222982 /nfs/dbraw/zinc/22/29/82/1322222982.db2.gz USUREIFEGNVIOF-OALUTQOASA-N 2 1 334.504 2.239 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001263832050 1322531545 /nfs/dbraw/zinc/53/15/45/1322531545.db2.gz IJRZLDOPXKPVCP-KURKYZTESA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001264173950 1322647933 /nfs/dbraw/zinc/64/79/33/1322647933.db2.gz LHYLKGDLYRAWGM-FGTMMUONSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001264173950 1322647937 /nfs/dbraw/zinc/64/79/37/1322647937.db2.gz LHYLKGDLYRAWGM-FGTMMUONSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001264173950 1322647940 /nfs/dbraw/zinc/64/79/40/1322647940.db2.gz LHYLKGDLYRAWGM-FGTMMUONSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001264173950 1322647941 /nfs/dbraw/zinc/64/79/41/1322647941.db2.gz LHYLKGDLYRAWGM-FGTMMUONSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407134 1323135585 /nfs/dbraw/zinc/13/55/85/1323135585.db2.gz RDEIBAFQOZYJRT-GDAAHCPNSA-N 2 1 331.504 2.358 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001279282159 1323863967 /nfs/dbraw/zinc/86/39/67/1323863967.db2.gz VDVOCNNQRAPDGQ-NCXUSEDFSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[N@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001280426790 1324218486 /nfs/dbraw/zinc/21/84/86/1324218486.db2.gz GBRLDFTTXMSZRF-UHFFFAOYSA-N 2 1 327.472 2.333 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001281776588 1325449301 /nfs/dbraw/zinc/44/93/01/1325449301.db2.gz OEBIDPXWGGYFTD-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001281776588 1325449305 /nfs/dbraw/zinc/44/93/05/1325449305.db2.gz OEBIDPXWGGYFTD-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001281776588 1325449310 /nfs/dbraw/zinc/44/93/10/1325449310.db2.gz OEBIDPXWGGYFTD-LJQANCHMSA-N 2 1 327.472 2.067 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944349 1325846108 /nfs/dbraw/zinc/84/61/08/1325846108.db2.gz AJTCETMXUBJWKG-GBESFXJTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944349 1325846110 /nfs/dbraw/zinc/84/61/10/1325846110.db2.gz AJTCETMXUBJWKG-GBESFXJTSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944349 1325846112 /nfs/dbraw/zinc/84/61/12/1325846112.db2.gz AJTCETMXUBJWKG-GBESFXJTSA-N 2 1 345.531 2.491 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284065212 1326388933 /nfs/dbraw/zinc/38/89/33/1326388933.db2.gz BDBTYANEPQJVQZ-AZUAARDMSA-N 2 1 349.519 2.178 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284065212 1326388936 /nfs/dbraw/zinc/38/89/36/1326388936.db2.gz BDBTYANEPQJVQZ-AZUAARDMSA-N 2 1 349.519 2.178 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966020 1330361327 /nfs/dbraw/zinc/36/13/27/1330361327.db2.gz WZZJEMWBUCWOOI-RBUKOAKNSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317788023 1332409069 /nfs/dbraw/zinc/40/90/69/1332409069.db2.gz HTLKIAYBQCWVMH-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317788023 1332409072 /nfs/dbraw/zinc/40/90/72/1332409072.db2.gz HTLKIAYBQCWVMH-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317788023 1332409074 /nfs/dbraw/zinc/40/90/74/1332409074.db2.gz HTLKIAYBQCWVMH-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319889278 1332792942 /nfs/dbraw/zinc/79/29/42/1332792942.db2.gz TZRJBRNWUBLPBO-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001322569445 1333285426 /nfs/dbraw/zinc/28/54/26/1333285426.db2.gz KTWHEMTXUQGILS-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001323468588 1333469584 /nfs/dbraw/zinc/46/95/84/1333469584.db2.gz OLNYTNWKGXZXJG-QAPCUYQASA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001323468588 1333469586 /nfs/dbraw/zinc/46/95/86/1333469586.db2.gz OLNYTNWKGXZXJG-QAPCUYQASA-N 2 1 343.446 2.223 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001326488859 1334103303 /nfs/dbraw/zinc/10/33/03/1334103303.db2.gz APNPWXSNTACRAU-QFBILLFUSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328080714 1334391008 /nfs/dbraw/zinc/39/10/08/1334391008.db2.gz HRUKDPZZJOTKSN-QGZVFWFLSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808134 1334525941 /nfs/dbraw/zinc/52/59/41/1334525941.db2.gz NPLGFQWNTXESQK-VQTJNVASSA-N 2 1 345.531 2.446 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001329290941 1334621359 /nfs/dbraw/zinc/62/13/59/1334621359.db2.gz SCZKJRIKHLPFEQ-INIZCTEOSA-N 2 1 333.480 2.050 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001329290941 1334621361 /nfs/dbraw/zinc/62/13/61/1334621361.db2.gz SCZKJRIKHLPFEQ-INIZCTEOSA-N 2 1 333.480 2.050 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001329290941 1334621363 /nfs/dbraw/zinc/62/13/63/1334621363.db2.gz SCZKJRIKHLPFEQ-INIZCTEOSA-N 2 1 333.480 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1 ZINC001502496100 1342198151 /nfs/dbraw/zinc/19/81/51/1342198151.db2.gz GPYQRNCPJKUOKY-DHINHOHASA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1 ZINC001502496100 1342198154 /nfs/dbraw/zinc/19/81/54/1342198154.db2.gz GPYQRNCPJKUOKY-DHINHOHASA-N 2 1 337.895 2.197 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCC1 ZINC001569610722 1342907885 /nfs/dbraw/zinc/90/78/85/1342907885.db2.gz WOWIYNZMTKFUDI-RTBURBONSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001571362990 1343200000 /nfs/dbraw/zinc/20/00/00/1343200000.db2.gz USVPLDBDYMAEIT-VQTJNVASSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001571362990 1343200001 /nfs/dbraw/zinc/20/00/01/1343200001.db2.gz USVPLDBDYMAEIT-VQTJNVASSA-N 2 1 345.531 2.491 10 30 EEEEMP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571480106 1343217106 /nfs/dbraw/zinc/21/71/06/1343217106.db2.gz ZTKUHSVUWORRHL-HKUYNNGSSA-N 2 1 339.483 2.101 10 30 EEEEMP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001571502100 1343220367 /nfs/dbraw/zinc/22/03/67/1343220367.db2.gz ZZIZTDVGQOYHHR-QWFCFKBJSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001571502100 1343220368 /nfs/dbraw/zinc/22/03/68/1343220368.db2.gz ZZIZTDVGQOYHHR-QWFCFKBJSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001571502100 1343220370 /nfs/dbraw/zinc/22/03/70/1343220370.db2.gz ZZIZTDVGQOYHHR-QWFCFKBJSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CC[N@@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001571614771 1343252502 /nfs/dbraw/zinc/25/25/02/1343252502.db2.gz SXEMHXWTGSXVBF-UHFFFAOYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CC[N@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001571614771 1343252504 /nfs/dbraw/zinc/25/25/04/1343252504.db2.gz SXEMHXWTGSXVBF-UHFFFAOYSA-N 2 1 334.464 2.239 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001676360960 1357140429 /nfs/dbraw/zinc/14/04/29/1357140429.db2.gz YAYJPIJPHZVAHR-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001676360960 1357140431 /nfs/dbraw/zinc/14/04/31/1357140431.db2.gz YAYJPIJPHZVAHR-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001661943419 1354726775 /nfs/dbraw/zinc/72/67/75/1354726775.db2.gz NJKMHEOTBQAHQW-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001664687862 1355212276 /nfs/dbraw/zinc/21/22/76/1355212276.db2.gz YEBWNQILLLBBGJ-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665715375 1355371735 /nfs/dbraw/zinc/37/17/35/1355371735.db2.gz PHYQZWOELAQRSN-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665715375 1355371739 /nfs/dbraw/zinc/37/17/39/1355371739.db2.gz PHYQZWOELAQRSN-DLBZAZTESA-N 2 1 330.476 2.343 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C\CC)CCCC1 ZINC001666767493 1355588128 /nfs/dbraw/zinc/58/81/28/1355588128.db2.gz IBCIFWQBZSJYPU-XFHJGTJQSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C\CC)CCCC1 ZINC001666767493 1355588133 /nfs/dbraw/zinc/58/81/33/1355588133.db2.gz IBCIFWQBZSJYPU-XFHJGTJQSA-N 2 1 331.504 2.459 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897612 1355611087 /nfs/dbraw/zinc/61/10/87/1355611087.db2.gz HBUHPIYIRYIPQO-QUCCMNQESA-N 2 1 341.499 2.347 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001667257347 1355690228 /nfs/dbraw/zinc/69/02/28/1355690228.db2.gz GTHRLYVXVAUCCI-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001667652317 1355774523 /nfs/dbraw/zinc/77/45/23/1355774523.db2.gz AMIUQWXSOGKKDV-IBGZPJMESA-N 2 1 347.478 2.154 10 30 EEEEMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001667652317 1355774529 /nfs/dbraw/zinc/77/45/29/1355774529.db2.gz AMIUQWXSOGKKDV-IBGZPJMESA-N 2 1 347.478 2.154 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001690846783 1404939838 /nfs/dbraw/zinc/93/98/38/1404939838.db2.gz RAFCGUJVNGEDAL-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001690846783 1404939857 /nfs/dbraw/zinc/93/98/57/1404939857.db2.gz RAFCGUJVNGEDAL-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001698840592 1405101518 /nfs/dbraw/zinc/10/15/18/1405101518.db2.gz MOBFFDXCQBVRTR-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743526 779231180 /nfs/dbraw/zinc/23/11/80/779231180.db2.gz CCPHQIVFQIRMCZ-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743526 779231182 /nfs/dbraw/zinc/23/11/82/779231182.db2.gz CCPHQIVFQIRMCZ-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743526 779231183 /nfs/dbraw/zinc/23/11/83/779231183.db2.gz CCPHQIVFQIRMCZ-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852903 779436961 /nfs/dbraw/zinc/43/69/61/779436961.db2.gz HNNAWNCFTCDJBF-GOSISDBHSA-N 2 1 338.455 2.496 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000909203092 786092320 /nfs/dbraw/zinc/09/23/20/786092320.db2.gz CTPDGXKNRCSBKG-KRWDZBQOSA-N 2 1 329.488 2.475 10 30 EEEEMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001565923182 1125458370 /nfs/dbraw/zinc/45/83/70/1125458370.db2.gz WEGHAIYUHGKRNH-QGZVFWFLSA-N 2 1 342.487 2.308 10 30 EEEEMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001437901447 1090482169 /nfs/dbraw/zinc/48/21/69/1090482169.db2.gz CDZBZTTZMKVNAF-IBGZPJMESA-N 2 1 342.487 2.323 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001438525030 1091017370 /nfs/dbraw/zinc/01/73/70/1091017370.db2.gz XWKYXXHZEHYGKI-KDOFPFPSSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687734 1092632792 /nfs/dbraw/zinc/63/27/92/1092632792.db2.gz SKSLUGHOMIWGNX-HOTGVXAUSA-N 2 1 327.900 2.394 10 30 EEEEMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440467476 1093692108 /nfs/dbraw/zinc/69/21/08/1093692108.db2.gz KAHQIYKNNJYRMW-HNNXBMFYSA-N 2 1 348.516 2.242 10 30 EEEEMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440467476 1093692110 /nfs/dbraw/zinc/69/21/10/1093692110.db2.gz KAHQIYKNNJYRMW-HNNXBMFYSA-N 2 1 348.516 2.242 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524225 1095227394 /nfs/dbraw/zinc/22/73/94/1095227394.db2.gz OPXBXSZFHXRWTD-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001495923673 1101767829 /nfs/dbraw/zinc/76/78/29/1101767829.db2.gz JDOYPUQLRFERIU-UHFFFAOYSA-N 2 1 334.464 2.335 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001495963199 1101841727 /nfs/dbraw/zinc/84/17/27/1101841727.db2.gz FATOPHONNATRQA-IAGOWNOFSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001495963199 1101841751 /nfs/dbraw/zinc/84/17/51/1101841751.db2.gz FATOPHONNATRQA-IAGOWNOFSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001500007431 1112576890 /nfs/dbraw/zinc/57/68/90/1112576890.db2.gz RQUNWJFOKPIRDB-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001500007431 1112576894 /nfs/dbraw/zinc/57/68/94/1112576894.db2.gz RQUNWJFOKPIRDB-DLBZAZTESA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501668637 1113424249 /nfs/dbraw/zinc/42/42/49/1113424249.db2.gz IRACQIPTPJVRIX-UHFFFAOYSA-N 2 1 327.472 2.100 10 30 EEEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001501672428 1113427117 /nfs/dbraw/zinc/42/71/17/1113427117.db2.gz FDTFSAXDBVEMPO-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001501672428 1113427119 /nfs/dbraw/zinc/42/71/19/1113427119.db2.gz FDTFSAXDBVEMPO-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001502404747 1113668786 /nfs/dbraw/zinc/66/87/86/1113668786.db2.gz MQXNILBZZQCRQN-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404747 1113668788 /nfs/dbraw/zinc/66/87/88/1113668788.db2.gz MQXNILBZZQCRQN-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404747 1113668790 /nfs/dbraw/zinc/66/87/90/1113668790.db2.gz MQXNILBZZQCRQN-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001503700297 1113900880 /nfs/dbraw/zinc/90/08/80/1113900880.db2.gz HFFQOWFXVMIGDC-ZWKOTPCHSA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741616 1114853039 /nfs/dbraw/zinc/85/30/39/1114853039.db2.gz IJHPMJPBNLMNCY-HZPDHXFCSA-N 2 1 327.488 2.459 10 30 EEEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507035720 1115071874 /nfs/dbraw/zinc/07/18/74/1115071874.db2.gz LDOPKQVEQIZRRJ-OALUTQOASA-N 2 1 327.472 2.139 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037788 1115074507 /nfs/dbraw/zinc/07/45/07/1115074507.db2.gz YLBYSZLCVZPSQQ-LJQANCHMSA-N 2 1 342.487 2.225 10 30 EEEEMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001507444068 1115272445 /nfs/dbraw/zinc/27/24/45/1115272445.db2.gz VIUZLBWFPULBHD-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)CCCn2cc[nH+]c2C)c(F)c1 ZINC001508241607 1115457856 /nfs/dbraw/zinc/45/78/56/1115457856.db2.gz KEXMSRRSJZRYHC-UHFFFAOYSA-N 2 1 342.418 2.150 10 30 EEEEMP C[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329303534 465293396 /nfs/dbraw/zinc/29/33/96/465293396.db2.gz WXINSCGQERHJCJ-CQSZACIVSA-N 2 1 333.480 2.047 10 30 EEEEMP C[N@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329303534 465293399 /nfs/dbraw/zinc/29/33/99/465293399.db2.gz WXINSCGQERHJCJ-CQSZACIVSA-N 2 1 333.480 2.047 10 30 EEEEMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000597004838 468414597 /nfs/dbraw/zinc/41/45/97/468414597.db2.gz RKCVCDNWNADPOK-FQEVSTJZSA-N 2 1 338.499 2.454 10 30 EEEEMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000597004838 468414600 /nfs/dbraw/zinc/41/46/00/468414600.db2.gz RKCVCDNWNADPOK-FQEVSTJZSA-N 2 1 338.499 2.454 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856239 467958496 /nfs/dbraw/zinc/95/84/96/467958496.db2.gz WOQMIDGOOMKAOS-KRWDZBQOSA-N 2 1 349.500 2.042 10 30 EEEEMP CC(C)N1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856239 467958497 /nfs/dbraw/zinc/95/84/97/467958497.db2.gz WOQMIDGOOMKAOS-KRWDZBQOSA-N 2 1 349.500 2.042 10 30 EEEEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437210 468587019 /nfs/dbraw/zinc/58/70/19/468587019.db2.gz JFRXRYCHTFTACX-BPQIPLTHSA-N 2 1 328.460 2.349 10 30 EEEEMP Cc1ccc2ncc(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000596425643 469262468 /nfs/dbraw/zinc/26/24/68/469262468.db2.gz SYOGVFHPJRUOAC-UHFFFAOYSA-N 2 1 325.460 2.132 10 30 EEEEMP Cc1ccc2ncc(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000596425643 469262471 /nfs/dbraw/zinc/26/24/71/469262471.db2.gz SYOGVFHPJRUOAC-UHFFFAOYSA-N 2 1 325.460 2.132 10 30 EEEEMP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602523679 469348777 /nfs/dbraw/zinc/34/87/77/469348777.db2.gz FYRLRYSZKJAFKD-FUHWJXTLSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602523679 469348781 /nfs/dbraw/zinc/34/87/81/469348781.db2.gz FYRLRYSZKJAFKD-FUHWJXTLSA-N 2 1 328.460 2.131 10 30 EEEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485812133 1191973171 /nfs/dbraw/zinc/97/31/71/1191973171.db2.gz ULJWTLKOTOEWEM-UYAOXDASSA-N 2 1 345.531 2.491 10 30 EEEEMP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342389 1176339885 /nfs/dbraw/zinc/33/98/85/1176339885.db2.gz RLGAUKWBCYUOJF-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342389 1176339898 /nfs/dbraw/zinc/33/98/98/1176339898.db2.gz RLGAUKWBCYUOJF-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342389 1176339908 /nfs/dbraw/zinc/33/99/08/1176339908.db2.gz RLGAUKWBCYUOJF-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342389 1176339919 /nfs/dbraw/zinc/33/99/19/1176339919.db2.gz RLGAUKWBCYUOJF-LJQANCHMSA-N 2 1 341.499 2.207 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664139 1177086575 /nfs/dbraw/zinc/08/65/75/1177086575.db2.gz VQNVQSRWJZXTOW-RBUKOAKNSA-N 2 1 342.487 2.308 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664139 1177086581 /nfs/dbraw/zinc/08/65/81/1177086581.db2.gz VQNVQSRWJZXTOW-RBUKOAKNSA-N 2 1 342.487 2.308 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402255 1178011536 /nfs/dbraw/zinc/01/15/36/1178011536.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402255 1178011542 /nfs/dbraw/zinc/01/15/42/1178011542.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402255 1178011550 /nfs/dbraw/zinc/01/15/50/1178011550.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001267712492 1180242846 /nfs/dbraw/zinc/24/28/46/1180242846.db2.gz QPKUVSZHELRVNW-HOTGVXAUSA-N 2 1 344.459 2.135 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001267712492 1180242850 /nfs/dbraw/zinc/24/28/50/1180242850.db2.gz QPKUVSZHELRVNW-HOTGVXAUSA-N 2 1 344.459 2.135 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC#Cc1ccccc1 ZINC001268000581 1180951762 /nfs/dbraw/zinc/95/17/62/1180951762.db2.gz MYFXIZCLSMKYDC-HBFSDRIKSA-N 2 1 341.499 2.110 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365951 1181134201 /nfs/dbraw/zinc/13/42/01/1181134201.db2.gz UUDJXDHONXATTE-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481409249 1181242492 /nfs/dbraw/zinc/24/24/92/1181242492.db2.gz KWYPOGZUSKZCTL-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450905 /nfs/dbraw/zinc/45/09/05/1181450905.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450909 /nfs/dbraw/zinc/45/09/09/1181450909.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450916 /nfs/dbraw/zinc/45/09/16/1181450916.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001481514854 1181619507 /nfs/dbraw/zinc/61/95/07/1181619507.db2.gz RJTNLRJTYBSZBJ-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481514854 1181619513 /nfs/dbraw/zinc/61/95/13/1181619513.db2.gz RJTNLRJTYBSZBJ-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481514854 1181619526 /nfs/dbraw/zinc/61/95/26/1181619526.db2.gz RJTNLRJTYBSZBJ-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001269838666 1184657623 /nfs/dbraw/zinc/65/76/23/1184657623.db2.gz HXZUHBMUSSNXNM-VQIMIIECSA-N 2 1 349.519 2.127 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001272440381 1190821787 /nfs/dbraw/zinc/82/17/87/1190821787.db2.gz MCEWFFUEVABLBI-SJORKVTESA-N 2 1 330.476 2.248 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001483781127 1191025149 /nfs/dbraw/zinc/02/51/49/1191025149.db2.gz GWSKPKZTLLAURY-UHFFFAOYSA-N 2 1 347.890 2.272 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001484143715 1191233150 /nfs/dbraw/zinc/23/31/50/1191233150.db2.gz OUEQOWHRMAICOT-ROUUACIJSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519820 1191394239 /nfs/dbraw/zinc/39/42/39/1191394239.db2.gz BFZPBIRVWOKMQW-HZPDHXFCSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001484658500 1191460258 /nfs/dbraw/zinc/46/02/58/1191460258.db2.gz FDMIJNBMVGDJOE-GOSISDBHSA-N 2 1 327.472 2.331 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005607 1191612051 /nfs/dbraw/zinc/61/20/51/1191612051.db2.gz CQBROJIAIUUBSE-RTBURBONSA-N 2 1 329.488 2.474 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005607 1191612052 /nfs/dbraw/zinc/61/20/52/1191612052.db2.gz CQBROJIAIUUBSE-RTBURBONSA-N 2 1 329.488 2.474 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001485039741 1191627961 /nfs/dbraw/zinc/62/79/61/1191627961.db2.gz YVSZQKCVACRCMN-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001485102948 1191652434 /nfs/dbraw/zinc/65/24/34/1191652434.db2.gz YCJDBNSJUKCYLY-JTTJXQCZSA-N 2 1 325.472 2.259 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001486182851 1193701769 /nfs/dbraw/zinc/70/17/69/1193701769.db2.gz AEQOXBULHZTBLG-FUHWJXTLSA-N 2 1 337.508 2.033 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001486490894 1194003106 /nfs/dbraw/zinc/00/31/06/1194003106.db2.gz KJOXAESQYQJFLB-UHFFFAOYSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001486490894 1194003112 /nfs/dbraw/zinc/00/31/12/1194003112.db2.gz KJOXAESQYQJFLB-UHFFFAOYSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001274791101 1205163463 /nfs/dbraw/zinc/16/34/63/1205163463.db2.gz ALERAKWGANDJPY-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001274791101 1205163467 /nfs/dbraw/zinc/16/34/67/1205163467.db2.gz ALERAKWGANDJPY-AEFFLSMTSA-N 2 1 331.504 2.149 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001275073038 1205249318 /nfs/dbraw/zinc/24/93/18/1205249318.db2.gz VORFTPDHNJLZKH-YFVAEKQCSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182996 1205276279 /nfs/dbraw/zinc/27/62/79/1205276279.db2.gz AWILKACSMXAXIG-WOJBJXKFSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001275574424 1205423832 /nfs/dbraw/zinc/42/38/32/1205423832.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1CC ZINC001275574424 1205423833 /nfs/dbraw/zinc/42/38/33/1205423833.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001275574424 1205423834 /nfs/dbraw/zinc/42/38/34/1205423834.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1CC ZINC001275574424 1205423836 /nfs/dbraw/zinc/42/38/36/1205423836.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1CC ZINC001275574424 1205423837 /nfs/dbraw/zinc/42/38/37/1205423837.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000928649348 1206407278 /nfs/dbraw/zinc/40/72/78/1206407278.db2.gz HYGXHQDNWFSELT-IBGZPJMESA-N 2 1 339.483 2.323 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782473 1214569084 /nfs/dbraw/zinc/56/90/84/1214569084.db2.gz OMXXYUXUIMHTDI-GBESFXJTSA-N 2 1 327.472 2.187 10 30 EEEEMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490902670 1254315585 /nfs/dbraw/zinc/31/55/85/1254315585.db2.gz PJOICCFRGJYTJI-MGPQQGTHSA-N 2 1 344.297 2.006 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279546 1291106610 /nfs/dbraw/zinc/10/66/10/1291106610.db2.gz JHQZLNXFTKOWBP-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490279546 1291106615 /nfs/dbraw/zinc/10/66/15/1291106615.db2.gz JHQZLNXFTKOWBP-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490279546 1291106624 /nfs/dbraw/zinc/10/66/24/1291106624.db2.gz JHQZLNXFTKOWBP-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001490761357 1291691597 /nfs/dbraw/zinc/69/15/97/1291691597.db2.gz BABVQGYXVSQNAW-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761357 1291691603 /nfs/dbraw/zinc/69/16/03/1291691603.db2.gz BABVQGYXVSQNAW-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761357 1291691610 /nfs/dbraw/zinc/69/16/10/1291691610.db2.gz BABVQGYXVSQNAW-RBUKOAKNSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490773338 1291716363 /nfs/dbraw/zinc/71/63/63/1291716363.db2.gz ZORXMFIQDZWCTM-HOCLYGCPSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490773338 1291716372 /nfs/dbraw/zinc/71/63/72/1291716372.db2.gz ZORXMFIQDZWCTM-HOCLYGCPSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490773338 1291716376 /nfs/dbraw/zinc/71/63/76/1291716376.db2.gz ZORXMFIQDZWCTM-HOCLYGCPSA-N 2 1 327.900 2.251 10 30 EEEEMP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000852098605 1291992100 /nfs/dbraw/zinc/99/21/00/1291992100.db2.gz RDOYKLLTIYDUGP-PXNSSMCTSA-N 2 1 327.472 2.283 10 30 EEEEMP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852865517 1292220094 /nfs/dbraw/zinc/22/00/94/1292220094.db2.gz GBUMYLYOOOATMD-YLJYHZDGSA-N 2 1 339.483 2.159 10 30 EEEEMP C[N@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869642 1292221590 /nfs/dbraw/zinc/22/15/90/1292221590.db2.gz DBTWSEBKGXNRMN-APWZRJJASA-N 2 1 345.512 2.250 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001277234531 1301941112 /nfs/dbraw/zinc/94/11/12/1301941112.db2.gz XNUJKBVCDNAPIV-UHFFFAOYSA-N 2 1 345.462 2.148 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824242 /nfs/dbraw/zinc/82/42/42/1302824242.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824255 /nfs/dbraw/zinc/82/42/55/1302824255.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824271 /nfs/dbraw/zinc/82/42/71/1302824271.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655940 1304111327 /nfs/dbraw/zinc/11/13/27/1304111327.db2.gz VEQZAHQRBMUZDX-VQTJNVASSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655940 1304111333 /nfs/dbraw/zinc/11/13/33/1304111333.db2.gz VEQZAHQRBMUZDX-VQTJNVASSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151765 1306113380 /nfs/dbraw/zinc/11/33/80/1306113380.db2.gz WYQHJESYGDPJNL-IBGZPJMESA-N 2 1 331.504 2.362 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466007 1310430589 /nfs/dbraw/zinc/43/05/89/1310430589.db2.gz FCTOESRETJZBAJ-NLWGTHIKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466007 1310430594 /nfs/dbraw/zinc/43/05/94/1310430594.db2.gz FCTOESRETJZBAJ-NLWGTHIKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550775 1317216956 /nfs/dbraw/zinc/21/69/56/1317216956.db2.gz ZBQIUOOONIKKCY-ZWKOTPCHSA-N 2 1 325.472 2.213 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001263871687 1322543095 /nfs/dbraw/zinc/54/30/95/1322543095.db2.gz NEUFDSRZBXBDAX-BRWVUGGUSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001264120062 1322632949 /nfs/dbraw/zinc/63/29/49/1322632949.db2.gz BQLKVOVRQDXREF-HNNXBMFYSA-N 2 1 334.464 2.287 10 30 EEEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001265162590 1322958823 /nfs/dbraw/zinc/95/88/23/1322958823.db2.gz GXWMWECURIFTGY-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001265162590 1322958826 /nfs/dbraw/zinc/95/88/26/1322958826.db2.gz GXWMWECURIFTGY-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001265162590 1322958829 /nfs/dbraw/zinc/95/88/29/1322958829.db2.gz GXWMWECURIFTGY-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001265162590 1322958820 /nfs/dbraw/zinc/95/88/20/1322958820.db2.gz GXWMWECURIFTGY-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265682213 1323318311 /nfs/dbraw/zinc/31/83/11/1323318311.db2.gz NGKBLAQLVDGPOS-MAUKXSAKSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001266086630 1323644005 /nfs/dbraw/zinc/64/40/05/1323644005.db2.gz VWWRQCQSZHPJGR-PXNSSMCTSA-N 2 1 341.499 2.189 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231672 1323810649 /nfs/dbraw/zinc/81/06/49/1323810649.db2.gz NKTAITPEJXLVRL-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231672 1323810653 /nfs/dbraw/zinc/81/06/53/1323810653.db2.gz NKTAITPEJXLVRL-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001281282934 1324932406 /nfs/dbraw/zinc/93/24/06/1324932406.db2.gz LNEGQMTWBVJYSQ-HKUYNNGSSA-N 2 1 349.519 2.082 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001316798189 1331898073 /nfs/dbraw/zinc/89/80/73/1331898073.db2.gz XXNMOZVRJMRILR-HOJAQTOUSA-N 2 1 341.499 2.203 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001316798189 1331898076 /nfs/dbraw/zinc/89/80/76/1331898076.db2.gz XXNMOZVRJMRILR-HOJAQTOUSA-N 2 1 341.499 2.203 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316955108 1332014695 /nfs/dbraw/zinc/01/46/95/1332014695.db2.gz PPMRNEGMGBQADL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316955108 1332014698 /nfs/dbraw/zinc/01/46/98/1332014698.db2.gz PPMRNEGMGBQADL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955108 1332014701 /nfs/dbraw/zinc/01/47/01/1332014701.db2.gz PPMRNEGMGBQADL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316955108 1332014704 /nfs/dbraw/zinc/01/47/04/1332014704.db2.gz PPMRNEGMGBQADL-MOPGFXCFSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317857251 1332433559 /nfs/dbraw/zinc/43/35/59/1332433559.db2.gz PGVZYQXFODFSBK-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857251 1332433561 /nfs/dbraw/zinc/43/35/61/1332433561.db2.gz PGVZYQXFODFSBK-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857251 1332433563 /nfs/dbraw/zinc/43/35/63/1332433563.db2.gz PGVZYQXFODFSBK-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001319817442 1332775328 /nfs/dbraw/zinc/77/53/28/1332775328.db2.gz AFZHDYDGHLYDMG-JKSUJKDBSA-N 2 1 346.475 2.287 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC001321876949 1333172172 /nfs/dbraw/zinc/17/21/72/1333172172.db2.gz ZOHLQRNHRXAGMR-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC001321876949 1333172176 /nfs/dbraw/zinc/17/21/76/1333172176.db2.gz ZOHLQRNHRXAGMR-YOEHRIQHSA-N 2 1 333.863 2.032 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001321876229 1333172309 /nfs/dbraw/zinc/17/23/09/1333172309.db2.gz RHLICZSMLDJTGG-XHSDSOJGSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001321876229 1333172314 /nfs/dbraw/zinc/17/23/14/1333172314.db2.gz RHLICZSMLDJTGG-XHSDSOJGSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCCC(F)(F)F ZINC001322175025 1333222278 /nfs/dbraw/zinc/22/22/78/1333222278.db2.gz JASJZQQDVCXMME-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCCC(F)(F)F ZINC001322175025 1333222281 /nfs/dbraw/zinc/22/22/81/1333222281.db2.gz JASJZQQDVCXMME-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCCC(F)(F)F ZINC001322175025 1333222283 /nfs/dbraw/zinc/22/22/83/1333222283.db2.gz JASJZQQDVCXMME-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCCC(F)(F)F ZINC001322175025 1333222286 /nfs/dbraw/zinc/22/22/86/1333222286.db2.gz JASJZQQDVCXMME-CABCVRRESA-N 2 1 347.425 2.253 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC001322272717 1333239750 /nfs/dbraw/zinc/23/97/50/1333239750.db2.gz ADJKAVPAGYAQOA-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001322272717 1333239745 /nfs/dbraw/zinc/23/97/45/1333239745.db2.gz ADJKAVPAGYAQOA-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001322272717 1333239747 /nfs/dbraw/zinc/23/97/47/1333239747.db2.gz ADJKAVPAGYAQOA-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC001322272717 1333239749 /nfs/dbraw/zinc/23/97/49/1333239749.db2.gz ADJKAVPAGYAQOA-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C1CCCCCC1 ZINC001323720986 1333524284 /nfs/dbraw/zinc/52/42/84/1333524284.db2.gz AJQXKJDIJOMBOJ-QZTJIDSGSA-N 2 1 342.487 2.298 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324869166 1333777670 /nfs/dbraw/zinc/77/76/70/1333777670.db2.gz OFYSXXCEGZTHGP-SFHVURJKSA-N 2 1 331.504 2.245 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225215 1334048071 /nfs/dbraw/zinc/04/80/71/1334048071.db2.gz SQSGAHXFUGVQMI-YOEHRIQHSA-N 2 1 346.500 2.042 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001326736350 1334151905 /nfs/dbraw/zinc/15/19/05/1334151905.db2.gz LWIRTBCMXWZWKR-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001329290945 1334621319 /nfs/dbraw/zinc/62/13/19/1334621319.db2.gz SCZKJRIKHLPFEQ-MRXNPFEDSA-N 2 1 333.480 2.050 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001329290945 1334621322 /nfs/dbraw/zinc/62/13/22/1334621322.db2.gz SCZKJRIKHLPFEQ-MRXNPFEDSA-N 2 1 333.480 2.050 10 30 EEEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001329290945 1334621325 /nfs/dbraw/zinc/62/13/25/1334621325.db2.gz SCZKJRIKHLPFEQ-MRXNPFEDSA-N 2 1 333.480 2.050 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614873 1334684703 /nfs/dbraw/zinc/68/47/03/1334684703.db2.gz XSHSJOAATZQMIZ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001329614873 1334684706 /nfs/dbraw/zinc/68/47/06/1334684706.db2.gz XSHSJOAATZQMIZ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614873 1334684709 /nfs/dbraw/zinc/68/47/09/1334684709.db2.gz XSHSJOAATZQMIZ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329614873 1334684713 /nfs/dbraw/zinc/68/47/13/1334684713.db2.gz XSHSJOAATZQMIZ-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001329740498 1334706154 /nfs/dbraw/zinc/70/61/54/1334706154.db2.gz DFVWBNXTPWDHIH-RBUKOAKNSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001330207673 1334804005 /nfs/dbraw/zinc/80/40/05/1334804005.db2.gz BIJPLVKOZUZTRO-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001330207673 1334804006 /nfs/dbraw/zinc/80/40/06/1334804006.db2.gz BIJPLVKOZUZTRO-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001330207673 1334804008 /nfs/dbraw/zinc/80/40/08/1334804008.db2.gz BIJPLVKOZUZTRO-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(CC)CC)C1 ZINC001567192534 1342709089 /nfs/dbraw/zinc/70/90/89/1342709089.db2.gz BLWJNMVGSIDZHE-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001567192534 1342709094 /nfs/dbraw/zinc/70/90/94/1342709094.db2.gz BLWJNMVGSIDZHE-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001567192534 1342709099 /nfs/dbraw/zinc/70/90/99/1342709099.db2.gz BLWJNMVGSIDZHE-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001567192534 1342709102 /nfs/dbraw/zinc/70/91/02/1342709102.db2.gz BLWJNMVGSIDZHE-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001571332036 1343185293 /nfs/dbraw/zinc/18/52/93/1343185293.db2.gz QDZAUWZGVCQNDV-MOPGFXCFSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001571332036 1343185297 /nfs/dbraw/zinc/18/52/97/1343185297.db2.gz QDZAUWZGVCQNDV-MOPGFXCFSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001571332036 1343185303 /nfs/dbraw/zinc/18/53/03/1343185303.db2.gz QDZAUWZGVCQNDV-MOPGFXCFSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001656345993 1354224747 /nfs/dbraw/zinc/22/47/47/1354224747.db2.gz HSPOPVUYGQLBDU-GVDBMIGSSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001656571860 1354249007 /nfs/dbraw/zinc/24/90/07/1354249007.db2.gz VZEWMYYCZDEPHA-JTDSTZFVSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656664744 1354261556 /nfs/dbraw/zinc/26/15/56/1354261556.db2.gz FWPYGUZBUKQDJT-AQNXPRMDSA-N 2 1 341.499 2.324 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001660408918 1354460223 /nfs/dbraw/zinc/46/02/23/1354460223.db2.gz REYHKIINCJIION-UHFFFAOYSA-N 2 1 331.504 2.270 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001666120365 1355458171 /nfs/dbraw/zinc/45/81/71/1355458171.db2.gz SMZGLEYNRDWAJM-CAXWLTTCSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001666120365 1355458174 /nfs/dbraw/zinc/45/81/74/1355458174.db2.gz SMZGLEYNRDWAJM-CAXWLTTCSA-N 2 1 337.895 2.055 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668173188 1355891291 /nfs/dbraw/zinc/89/12/91/1355891291.db2.gz CRRNZUHLLCETQH-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001673601024 1356716497 /nfs/dbraw/zinc/71/64/97/1356716497.db2.gz BVKPDRBFBJYRJC-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001674499957 1356849294 /nfs/dbraw/zinc/84/92/94/1356849294.db2.gz SVXUIAHYQIIJME-LJQANCHMSA-N 2 1 327.472 2.308 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001674839623 1356902242 /nfs/dbraw/zinc/90/22/42/1356902242.db2.gz KJZJREZPXIRZBY-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001674839623 1356902244 /nfs/dbraw/zinc/90/22/44/1356902244.db2.gz KJZJREZPXIRZBY-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268687 1356956041 /nfs/dbraw/zinc/95/60/41/1356956041.db2.gz DTXQMUWIFTVTNO-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268687 1356956042 /nfs/dbraw/zinc/95/60/42/1356956042.db2.gz DTXQMUWIFTVTNO-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C(C)(C)C1 ZINC000940986624 779668845 /nfs/dbraw/zinc/66/88/45/779668845.db2.gz JTWFBRTUXMBHED-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986624 779668849 /nfs/dbraw/zinc/66/88/49/779668849.db2.gz JTWFBRTUXMBHED-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C#CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000914099805 794874243 /nfs/dbraw/zinc/87/42/43/794874243.db2.gz KLKPJRGXZJBZAM-GOSISDBHSA-N 2 1 348.535 2.380 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001437005670 1088774744 /nfs/dbraw/zinc/77/47/44/1088774744.db2.gz CEYBIGPPACPLFQ-XHSDSOJGSA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001437382366 1089630780 /nfs/dbraw/zinc/63/07/80/1089630780.db2.gz LAROEPVIJMGAGA-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001437619839 1090129836 /nfs/dbraw/zinc/12/98/36/1090129836.db2.gz TXCVGHNENKAXDJ-UHFFFAOYSA-N 2 1 348.516 2.432 10 30 EEEEMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001437619839 1090129838 /nfs/dbraw/zinc/12/98/38/1090129838.db2.gz TXCVGHNENKAXDJ-UHFFFAOYSA-N 2 1 348.516 2.432 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300968 1090780968 /nfs/dbraw/zinc/78/09/68/1090780968.db2.gz LWIHCKKFAFRWAF-YOEHRIQHSA-N 2 1 348.516 2.479 10 30 EEEEMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440800700 1094045508 /nfs/dbraw/zinc/04/55/08/1094045508.db2.gz RFGHOQFILQEIQS-GJZGRUSLSA-N 2 1 328.460 2.025 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001449405752 1094387034 /nfs/dbraw/zinc/38/70/34/1094387034.db2.gz SBURMUUBQDPXNP-UHFFFAOYSA-N 2 1 334.489 2.039 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189219 1099785362 /nfs/dbraw/zinc/78/53/62/1099785362.db2.gz LBOBKMRSRVJWMX-RBUKOAKNSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189219 1099785367 /nfs/dbraw/zinc/78/53/67/1099785367.db2.gz LBOBKMRSRVJWMX-RBUKOAKNSA-N 2 1 342.487 2.308 10 30 EEEEMP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001480408091 1100223823 /nfs/dbraw/zinc/22/38/23/1100223823.db2.gz IYWXWIAQUXSCRZ-UHFFFAOYSA-N 2 1 329.488 2.364 10 30 EEEEMP C=CCC[NH2+][C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001496623177 1101226714 /nfs/dbraw/zinc/22/67/14/1101226714.db2.gz BLDXUPYXCQIGCN-KRWDZBQOSA-N 2 1 327.432 2.187 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001497843820 1103181583 /nfs/dbraw/zinc/18/15/83/1103181583.db2.gz ZQQSOQHDEIIGES-QUCCMNQESA-N 2 1 341.499 2.253 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001447817256 1103378817 /nfs/dbraw/zinc/37/88/17/1103378817.db2.gz AOIXPXDNEUNEGI-UHFFFAOYSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030450 1103387836 /nfs/dbraw/zinc/38/78/36/1103387836.db2.gz OTFZGERFMBDJTI-MRXNPFEDSA-N 2 1 339.911 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001480770449 1107082729 /nfs/dbraw/zinc/08/27/29/1107082729.db2.gz DMRGWIYGJPVVCP-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001480770449 1107082745 /nfs/dbraw/zinc/08/27/45/1107082745.db2.gz DMRGWIYGJPVVCP-QUCCMNQESA-N 2 1 341.499 2.385 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300718 1107246511 /nfs/dbraw/zinc/24/65/11/1107246511.db2.gz QZVIICQFVAYBFR-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001498300718 1107246521 /nfs/dbraw/zinc/24/65/21/1107246521.db2.gz QZVIICQFVAYBFR-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001498300718 1107246525 /nfs/dbraw/zinc/24/65/25/1107246525.db2.gz QZVIICQFVAYBFR-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001498300718 1107246532 /nfs/dbraw/zinc/24/65/32/1107246532.db2.gz QZVIICQFVAYBFR-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC[C@H](C)F)CC1 ZINC001505465492 1114000702 /nfs/dbraw/zinc/00/07/02/1114000702.db2.gz IPZLGBJYACXMMO-FUHWJXTLSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722358 1114831958 /nfs/dbraw/zinc/83/19/58/1114831958.db2.gz OSKMABXKKVXTBI-IEBWSBKVSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001506854460 1114918832 /nfs/dbraw/zinc/91/88/32/1114918832.db2.gz LPWZGIINBPGFOA-IPMKNSEASA-N 2 1 345.531 2.348 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001507363548 1115223783 /nfs/dbraw/zinc/22/37/83/1115223783.db2.gz MAKFPYUMXMMDSN-CEXWTWQISA-N 2 1 342.487 2.212 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001568097602 1124301405 /nfs/dbraw/zinc/30/14/05/1124301405.db2.gz FAVDBOHPLUEVHE-IBGZPJMESA-N 2 1 327.472 2.141 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001568969094 1125006517 /nfs/dbraw/zinc/00/65/17/1125006517.db2.gz IABZFNGRDLWCNY-SNAWJCMRSA-N 2 1 347.890 2.294 10 30 EEEEMP C=CCC[C@@H](C[N@@H+](C)CCOC)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072463887 216246832 /nfs/dbraw/zinc/24/68/32/216246832.db2.gz BRHCYEIKCCWVDX-INIZCTEOSA-N 2 1 345.447 2.263 10 30 EEEEMP C=CCC[C@@H](C[N@H+](C)CCOC)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072463887 216246834 /nfs/dbraw/zinc/24/68/34/216246834.db2.gz BRHCYEIKCCWVDX-INIZCTEOSA-N 2 1 345.447 2.263 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000594449325 468593852 /nfs/dbraw/zinc/59/38/52/468593852.db2.gz GNLSHYGNJBXFLA-IPMKNSEASA-N 2 1 340.471 2.131 10 30 EEEEMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721951 468634853 /nfs/dbraw/zinc/63/48/53/468634853.db2.gz OCFKAVIFAYIATB-OALUTQOASA-N 2 1 327.472 2.195 10 30 EEEEMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602523680 469348800 /nfs/dbraw/zinc/34/88/00/469348800.db2.gz FYRLRYSZKJAFKD-SJLPKXTDSA-N 2 1 328.460 2.131 10 30 EEEEMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602523680 469348803 /nfs/dbraw/zinc/34/88/03/469348803.db2.gz FYRLRYSZKJAFKD-SJLPKXTDSA-N 2 1 328.460 2.131 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000764507989 577737824 /nfs/dbraw/zinc/73/78/24/577737824.db2.gz LDBPQKJLNSFRRA-YQQQUEKLSA-N 2 1 327.472 2.416 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262331100 679138456 /nfs/dbraw/zinc/13/84/56/679138456.db2.gz AZDHYVMBYWQLIE-AKONKWBKSA-N 2 1 348.535 2.370 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208597 684903320 /nfs/dbraw/zinc/90/33/20/684903320.db2.gz JPMKEDMOCJSLNS-OALUTQOASA-N 2 1 327.472 2.446 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001272708080 1191971947 /nfs/dbraw/zinc/97/19/47/1191971947.db2.gz KRVQYJVWOBFFIC-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001272708080 1191971949 /nfs/dbraw/zinc/97/19/49/1191971949.db2.gz KRVQYJVWOBFFIC-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092644 1178222050 /nfs/dbraw/zinc/22/20/50/1178222050.db2.gz DTIUOZJXCJMHAQ-PMACEKPBSA-N 2 1 341.499 2.395 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547487 1179330849 /nfs/dbraw/zinc/33/08/49/1179330849.db2.gz NKAKUMOBKDPHCU-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547487 1179330855 /nfs/dbraw/zinc/33/08/55/1179330855.db2.gz NKAKUMOBKDPHCU-MSOLQXFVSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCC(=C)C)CC2)CC1 ZINC001267604019 1179715481 /nfs/dbraw/zinc/71/54/81/1179715481.db2.gz GMSRMMZIJPOKLB-UHFFFAOYSA-N 2 1 345.531 2.468 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358016 1181116420 /nfs/dbraw/zinc/11/64/20/1181116420.db2.gz JHSWSIDPQLDWJE-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358016 1181116424 /nfs/dbraw/zinc/11/64/24/1181116424.db2.gz JHSWSIDPQLDWJE-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358016 1181116430 /nfs/dbraw/zinc/11/64/30/1181116430.db2.gz JHSWSIDPQLDWJE-IBGZPJMESA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481432762 1181322335 /nfs/dbraw/zinc/32/23/35/1181322335.db2.gz PQWPNLUZMHHCIR-HOTGVXAUSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481432762 1181322341 /nfs/dbraw/zinc/32/23/41/1181322341.db2.gz PQWPNLUZMHHCIR-HOTGVXAUSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481432762 1181322348 /nfs/dbraw/zinc/32/23/48/1181322348.db2.gz PQWPNLUZMHHCIR-HOTGVXAUSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481432763 1181322461 /nfs/dbraw/zinc/32/24/61/1181322461.db2.gz PQWPNLUZMHHCIR-HZPDHXFCSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481432763 1181322467 /nfs/dbraw/zinc/32/24/67/1181322467.db2.gz PQWPNLUZMHHCIR-HZPDHXFCSA-N 2 1 327.900 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481432763 1181322471 /nfs/dbraw/zinc/32/24/71/1181322471.db2.gz PQWPNLUZMHHCIR-HZPDHXFCSA-N 2 1 327.900 2.440 10 30 EEEEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691496146 1181610151 /nfs/dbraw/zinc/61/01/51/1181610151.db2.gz MDVXFYULRMVWIU-RBUKOAKNSA-N 2 1 345.462 2.098 10 30 EEEEMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001481820252 1182748085 /nfs/dbraw/zinc/74/80/85/1182748085.db2.gz LFSRYODEKHJJPF-KRWDZBQOSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC1=CCCCC1 ZINC001481821077 1182750189 /nfs/dbraw/zinc/75/01/89/1182750189.db2.gz SZCDEORYOXHDEK-OALUTQOASA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC1=CCCCC1 ZINC001481821077 1182750192 /nfs/dbraw/zinc/75/01/92/1182750192.db2.gz SZCDEORYOXHDEK-OALUTQOASA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001482031682 1183170966 /nfs/dbraw/zinc/17/09/66/1183170966.db2.gz WSTKUCOBDWIAJN-HXUWFJFHSA-N 2 1 339.483 2.433 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001268734013 1183652056 /nfs/dbraw/zinc/65/20/56/1183652056.db2.gz QDZDGDBPUIPHIJ-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001268734013 1183652060 /nfs/dbraw/zinc/65/20/60/1183652060.db2.gz QDZDGDBPUIPHIJ-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001268734013 1183652068 /nfs/dbraw/zinc/65/20/68/1183652068.db2.gz QDZDGDBPUIPHIJ-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001268734013 1183652072 /nfs/dbraw/zinc/65/20/72/1183652072.db2.gz QDZDGDBPUIPHIJ-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001268734013 1183652080 /nfs/dbraw/zinc/65/20/80/1183652080.db2.gz QDZDGDBPUIPHIJ-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738121 1184753065 /nfs/dbraw/zinc/75/30/65/1184753065.db2.gz SPRYUTNQQQZFSJ-KGLIPLIRSA-N 2 1 335.414 2.272 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271565269 1186315441 /nfs/dbraw/zinc/31/54/41/1186315441.db2.gz CAXVLOGAMYNLNU-ROUUACIJSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001482665323 1187543699 /nfs/dbraw/zinc/54/36/99/1187543699.db2.gz JGHPPFQPIREMIM-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP CC[C@H](C(=O)N(C)CC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001272151770 1187961206 /nfs/dbraw/zinc/96/12/06/1187961206.db2.gz BSZJBBQEILMRJI-GOSISDBHSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001272151770 1187961210 /nfs/dbraw/zinc/96/12/10/1187961210.db2.gz BSZJBBQEILMRJI-GOSISDBHSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483197943 1189083708 /nfs/dbraw/zinc/08/37/08/1189083708.db2.gz SXQAEGLSFUUOMA-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001483343897 1190377599 /nfs/dbraw/zinc/37/75/99/1190377599.db2.gz LABXMXQQAYKHMC-HKUYNNGSSA-N 2 1 347.478 2.155 10 30 EEEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001484093218 1191207593 /nfs/dbraw/zinc/20/75/93/1191207593.db2.gz FOHZITPISDQOOD-PXNSSMCTSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001486446638 1193961083 /nfs/dbraw/zinc/96/10/83/1193961083.db2.gz SZAPEVPALOQAEO-CVEARBPZSA-N 2 1 330.476 2.247 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865934058 1198429704 /nfs/dbraw/zinc/42/97/04/1198429704.db2.gz PXKAHKNLMOZKQQ-LBPRGKRZSA-N 2 1 337.399 2.289 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865934058 1198429710 /nfs/dbraw/zinc/42/97/10/1198429710.db2.gz PXKAHKNLMOZKQQ-LBPRGKRZSA-N 2 1 337.399 2.289 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001276219299 1205842821 /nfs/dbraw/zinc/84/28/21/1205842821.db2.gz SOTBAPIVGGZABM-INIZCTEOSA-N 2 1 330.476 2.349 10 30 EEEEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000929971389 1206523380 /nfs/dbraw/zinc/52/33/80/1206523380.db2.gz KMKNMIJCSGBYAM-UHFFFAOYSA-N 2 1 346.519 2.192 10 30 EEEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304649867 1216082381 /nfs/dbraw/zinc/08/23/81/1216082381.db2.gz GHWHQMRTTGQBCT-MRXNPFEDSA-N 2 1 330.476 2.403 10 30 EEEEMP CC#CC[N@@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001490387905 1291275671 /nfs/dbraw/zinc/27/56/71/1291275671.db2.gz RGNMFBKOEYMZCB-UHFFFAOYSA-N 2 1 327.472 2.356 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001264188441 1322655356 /nfs/dbraw/zinc/65/53/56/1322655356.db2.gz IXHQYNXFFGWAIX-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001264188441 1322655358 /nfs/dbraw/zinc/65/53/58/1322655358.db2.gz IXHQYNXFFGWAIX-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001264188441 1322655363 /nfs/dbraw/zinc/65/53/63/1322655363.db2.gz IXHQYNXFFGWAIX-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001264188441 1322655372 /nfs/dbraw/zinc/65/53/72/1322655372.db2.gz IXHQYNXFFGWAIX-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1 ZINC001265073318 1322907623 /nfs/dbraw/zinc/90/76/23/1322907623.db2.gz WZPOJHIOPZYOOQ-RTBURBONSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235977 1323002499 /nfs/dbraw/zinc/00/24/99/1323002499.db2.gz ZTTDTZWTDQHVPY-IEBWSBKVSA-N 2 1 331.504 2.267 10 30 EEEEMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852220 1323426862 /nfs/dbraw/zinc/42/68/62/1323426862.db2.gz XVFHXWCQOYTMMT-HZPDHXFCSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001280340154 1324162637 /nfs/dbraw/zinc/16/26/37/1324162637.db2.gz IMVGWERJRKFZLI-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001280340154 1324162641 /nfs/dbraw/zinc/16/26/41/1324162641.db2.gz IMVGWERJRKFZLI-VQIMIIECSA-N 2 1 345.487 2.250 10 30 EEEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284066176 1326390069 /nfs/dbraw/zinc/39/00/69/1326390069.db2.gz FIKPORGYJCIKIT-PKOBYXMFSA-N 2 1 328.460 2.108 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284066176 1326390072 /nfs/dbraw/zinc/39/00/72/1326390072.db2.gz FIKPORGYJCIKIT-PKOBYXMFSA-N 2 1 328.460 2.108 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317087624 1332074269 /nfs/dbraw/zinc/07/42/69/1332074269.db2.gz OBPUHHXOZCFNFQ-HJWJTTGWSA-N 2 1 330.476 2.345 10 30 EEEEMP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317354019 1332191576 /nfs/dbraw/zinc/19/15/76/1332191576.db2.gz BBHZVBXGTOCORK-LSDHHAIUSA-N 2 1 334.464 2.333 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001317396756 1332213090 /nfs/dbraw/zinc/21/30/90/1332213090.db2.gz PRSOMYSEZPSDCG-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001317396756 1332213093 /nfs/dbraw/zinc/21/30/93/1332213093.db2.gz PRSOMYSEZPSDCG-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413456 1332219022 /nfs/dbraw/zinc/21/90/22/1332219022.db2.gz BHSDZWDZTIHPKT-WBVHZDCISA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001317811908 1332417433 /nfs/dbraw/zinc/41/74/33/1332417433.db2.gz SEGGNMRYPZYOSW-QZTJIDSGSA-N 2 1 333.520 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001321098567 1333019751 /nfs/dbraw/zinc/01/97/51/1333019751.db2.gz WVGWHGXOTOKJSY-XFHJGTJQSA-N 2 1 345.512 2.225 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001321098567 1333019753 /nfs/dbraw/zinc/01/97/53/1333019753.db2.gz WVGWHGXOTOKJSY-XFHJGTJQSA-N 2 1 345.512 2.225 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001322088816 1333207064 /nfs/dbraw/zinc/20/70/64/1333207064.db2.gz OWLCIZNPENNEIG-HKUYNNGSSA-N 2 1 327.472 2.007 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001323695507 1333518127 /nfs/dbraw/zinc/51/81/27/1333518127.db2.gz HMYQNBIHWQJNKR-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001323695507 1333518131 /nfs/dbraw/zinc/51/81/31/1333518131.db2.gz HMYQNBIHWQJNKR-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001324232418 1333639606 /nfs/dbraw/zinc/63/96/06/1333639606.db2.gz BKWQZPUNOGUHNW-ZCNNSNEGSA-N 2 1 341.499 2.489 10 30 EEEEMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901865 1333991106 /nfs/dbraw/zinc/99/11/06/1333991106.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901865 1333991109 /nfs/dbraw/zinc/99/11/09/1333991109.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001325901865 1333991112 /nfs/dbraw/zinc/99/11/12/1333991112.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 2 1 331.504 2.340 10 30 EEEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001326350459 1334073884 /nfs/dbraw/zinc/07/38/84/1334073884.db2.gz SHXRDISYPUYVBR-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCC1 ZINC001326834924 1334166951 /nfs/dbraw/zinc/16/69/51/1334166951.db2.gz QAHRRVZHNNZKPX-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCC1 ZINC001326834924 1334166973 /nfs/dbraw/zinc/16/69/73/1334166973.db2.gz QAHRRVZHNNZKPX-MSOLQXFVSA-N 2 1 333.520 2.395 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001327148201 1334234708 /nfs/dbraw/zinc/23/47/08/1334234708.db2.gz QZUDQFNDIKECLM-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC001665803705 1355390837 /nfs/dbraw/zinc/39/08/37/1355390837.db2.gz BFXZHSQDKKFGOV-PMACEKPBSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC001665803705 1355390843 /nfs/dbraw/zinc/39/08/43/1355390843.db2.gz BFXZHSQDKKFGOV-PMACEKPBSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001501424890 1342189339 /nfs/dbraw/zinc/18/93/39/1342189339.db2.gz MQVZHKLLIICLAS-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C(C)C ZINC001563454017 1342545394 /nfs/dbraw/zinc/54/53/94/1342545394.db2.gz WXFXMPIUICKAGN-FGTMMUONSA-N 2 1 336.524 2.419 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567807534 1342843323 /nfs/dbraw/zinc/84/33/23/1342843323.db2.gz NMBSDUODEHSTAV-KSSFIOAISA-N 2 1 325.472 2.354 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567807534 1342843328 /nfs/dbraw/zinc/84/33/28/1342843328.db2.gz NMBSDUODEHSTAV-KSSFIOAISA-N 2 1 325.472 2.354 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC001677018976 1357263015 /nfs/dbraw/zinc/26/30/15/1357263015.db2.gz NRKIQRVIRJERLM-DOTOQJQBSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001660309794 1354437160 /nfs/dbraw/zinc/43/71/60/1354437160.db2.gz WIMFJCMFGYGKBP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001660309794 1354437162 /nfs/dbraw/zinc/43/71/62/1354437162.db2.gz WIMFJCMFGYGKBP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001660309794 1354437168 /nfs/dbraw/zinc/43/71/68/1354437168.db2.gz WIMFJCMFGYGKBP-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001660464779 1354468595 /nfs/dbraw/zinc/46/85/95/1354468595.db2.gz LVHXHDSDRDOZFC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663120291 1354921267 /nfs/dbraw/zinc/92/12/67/1354921267.db2.gz SJPHEPKTSFITCK-IBGZPJMESA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001666021623 1355427088 /nfs/dbraw/zinc/42/70/88/1355427088.db2.gz IPZORFBAHTWKAB-HNAYVOBHSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CC[NH2+]C[C@]1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC[C@H]1C ZINC001666054617 1355433779 /nfs/dbraw/zinc/43/37/79/1355433779.db2.gz CINSBGSIKFVMKU-RDTXWAMCSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420792 1355738744 /nfs/dbraw/zinc/73/87/44/1355738744.db2.gz DFZIQCNERKJVHY-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001667420792 1355738749 /nfs/dbraw/zinc/73/87/49/1355738749.db2.gz DFZIQCNERKJVHY-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001667420792 1355738752 /nfs/dbraw/zinc/73/87/52/1355738752.db2.gz DFZIQCNERKJVHY-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001668066169 1355861385 /nfs/dbraw/zinc/86/13/85/1355861385.db2.gz VLCTUNQFSYMGSZ-HZSPNIEDSA-N 2 1 346.313 2.110 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001668623038 1355974175 /nfs/dbraw/zinc/97/41/75/1355974175.db2.gz HVQMPFYCBAJVAW-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001670041836 1356266109 /nfs/dbraw/zinc/26/61/09/1356266109.db2.gz JZUVQLUAKAFUAN-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC(=C)C)CC1 ZINC001671477026 1356346032 /nfs/dbraw/zinc/34/60/32/1356346032.db2.gz FXZQRPZZEHHLQF-RBUKOAKNSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671497586 1356350626 /nfs/dbraw/zinc/35/06/26/1356350626.db2.gz URWQPTSCKZRZBN-UHFFFAOYSA-N 2 1 330.476 2.343 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001672916208 1356613955 /nfs/dbraw/zinc/61/39/55/1356613955.db2.gz OJFYSDBUQLFHDW-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001675360065 1356970436 /nfs/dbraw/zinc/97/04/36/1356970436.db2.gz RLIVWHLHSMIDCJ-FXAWDEMLSA-N 2 1 341.499 2.061 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001675564645 1357006561 /nfs/dbraw/zinc/00/65/61/1357006561.db2.gz RIHOHGOGVZRRDJ-AKHDSKFASA-N 2 1 327.472 2.159 10 30 EEEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001675564645 1357006567 /nfs/dbraw/zinc/00/65/67/1357006567.db2.gz RIHOHGOGVZRRDJ-AKHDSKFASA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444034 /nfs/dbraw/zinc/44/40/34/1405444034.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444040 /nfs/dbraw/zinc/44/40/40/1405444040.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444044 /nfs/dbraw/zinc/44/40/44/1405444044.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067338 779819076 /nfs/dbraw/zinc/81/90/76/779819076.db2.gz BJHJAWSLHOMYFO-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067338 779819084 /nfs/dbraw/zinc/81/90/84/779819084.db2.gz BJHJAWSLHOMYFO-INIZCTEOSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093660 779857353 /nfs/dbraw/zinc/85/73/53/779857353.db2.gz SJNOTQRPOLLMRH-GOSISDBHSA-N 2 1 327.472 2.212 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139107 779950265 /nfs/dbraw/zinc/95/02/65/779950265.db2.gz QAHXOOXDJKVSHK-GOSISDBHSA-N 2 1 333.520 2.347 10 30 EEEEMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445573114 1091352101 /nfs/dbraw/zinc/35/21/01/1091352101.db2.gz PYLJBVIUQZJGHP-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876499 1095997980 /nfs/dbraw/zinc/99/79/80/1095997980.db2.gz NVFVYZJGILPNRX-QFBILLFUSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480382946 1100177266 /nfs/dbraw/zinc/17/72/66/1100177266.db2.gz MEOYSFMNGFEGSF-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382946 1100177269 /nfs/dbraw/zinc/17/72/69/1100177269.db2.gz MEOYSFMNGFEGSF-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382946 1100177275 /nfs/dbraw/zinc/17/72/75/1100177275.db2.gz MEOYSFMNGFEGSF-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480527934 1100357806 /nfs/dbraw/zinc/35/78/06/1100357806.db2.gz YFBJAFMKFMIYLW-YCPHGPKFSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001497766098 1103065940 /nfs/dbraw/zinc/06/59/40/1103065940.db2.gz UCXIJAPODMWZPF-SMJNTDKHSA-N 2 1 339.483 2.173 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494864809 1104471651 /nfs/dbraw/zinc/47/16/51/1104471651.db2.gz YYZWYJMSXSSEJJ-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001494864809 1104471655 /nfs/dbraw/zinc/47/16/55/1104471655.db2.gz YYZWYJMSXSSEJJ-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001498054666 1106849567 /nfs/dbraw/zinc/84/95/67/1106849567.db2.gz CVUYIORDICKLQU-LNLFQRSKSA-N 2 1 327.472 2.248 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001498054666 1106849576 /nfs/dbraw/zinc/84/95/76/1106849576.db2.gz CVUYIORDICKLQU-LNLFQRSKSA-N 2 1 327.472 2.248 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001498568040 1107735108 /nfs/dbraw/zinc/73/51/08/1107735108.db2.gz NXTLAVDJVVHLIR-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001499747015 1112467698 /nfs/dbraw/zinc/46/76/98/1112467698.db2.gz FIWMQBZKKLRIQV-SFHVURJKSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001499747015 1112467699 /nfs/dbraw/zinc/46/76/99/1112467699.db2.gz FIWMQBZKKLRIQV-SFHVURJKSA-N 2 1 325.472 2.308 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145873 1113214551 /nfs/dbraw/zinc/21/45/51/1113214551.db2.gz GWDRSZZSZDFJRQ-LPHOPBHVSA-N 2 1 342.487 2.084 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCCC1 ZINC001501671404 1113426507 /nfs/dbraw/zinc/42/65/07/1113426507.db2.gz XLDMQHMWTVHTLN-UHFFFAOYSA-N 2 1 327.472 2.244 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001568056592 1124262164 /nfs/dbraw/zinc/26/21/64/1124262164.db2.gz GVBPPRLGJSMIFX-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001568056592 1124262169 /nfs/dbraw/zinc/26/21/69/1124262169.db2.gz GVBPPRLGJSMIFX-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCc1ccc(C)cc1 ZINC001568642552 1124654866 /nfs/dbraw/zinc/65/48/66/1124654866.db2.gz QSFNFSOFAOHRHH-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCc1ccc(C)cc1 ZINC001568642552 1124654871 /nfs/dbraw/zinc/65/48/71/1124654871.db2.gz QSFNFSOFAOHRHH-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330243115 465583772 /nfs/dbraw/zinc/58/37/72/465583772.db2.gz CKRPTJIUUOYQQA-HZPDHXFCSA-N 2 1 331.464 2.062 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684019 472205173 /nfs/dbraw/zinc/20/51/73/472205173.db2.gz ABBHKUDFSRQCGO-UYAOXDASSA-N 2 1 327.472 2.466 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662683996 472205262 /nfs/dbraw/zinc/20/52/62/472205262.db2.gz ABBHKUDFSRQCGO-AZUAARDMSA-N 2 1 327.472 2.466 10 30 EEEEMP C[NH+]=C(NCCc1ccc2ccccc2n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262783526 688456537 /nfs/dbraw/zinc/45/65/37/688456537.db2.gz LUECYRCFFBLJKP-KRWDZBQOSA-N 2 1 337.471 2.179 10 30 EEEEMP C[NH+]=C(NCCc1ccc2ccccc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262783526 688456540 /nfs/dbraw/zinc/45/65/40/688456540.db2.gz LUECYRCFFBLJKP-KRWDZBQOSA-N 2 1 337.471 2.179 10 30 EEEEMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261978916 691217057 /nfs/dbraw/zinc/21/70/57/691217057.db2.gz OKKZONBBSKKTLM-GOEBONIOSA-N 2 1 326.554 2.413 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001485568936 1191838293 /nfs/dbraw/zinc/83/82/93/1191838293.db2.gz BZHRHABHRVOPRL-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001485568936 1191838294 /nfs/dbraw/zinc/83/82/94/1191838294.db2.gz BZHRHABHRVOPRL-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001485568936 1191838295 /nfs/dbraw/zinc/83/82/95/1191838295.db2.gz BZHRHABHRVOPRL-QGZVFWFLSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001485638999 1191866020 /nfs/dbraw/zinc/86/60/20/1191866020.db2.gz ANZRRWLRLPDRON-NVXWUHKLSA-N 2 1 337.508 2.031 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001485727559 1191919357 /nfs/dbraw/zinc/91/93/57/1191919357.db2.gz MLSRUZVEJUEDEH-RHSMWYFYSA-N 2 1 348.516 2.479 10 30 EEEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266431150 1176526000 /nfs/dbraw/zinc/52/60/00/1176526000.db2.gz LCBFILWQPXUQMB-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001670588092 1176931611 /nfs/dbraw/zinc/93/16/11/1176931611.db2.gz MMBWNRSDSRNAMU-MSOLQXFVSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001267733119 1180327540 /nfs/dbraw/zinc/32/75/40/1180327540.db2.gz CPLCRFREKLRLDM-MPNRVQBSSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001267733119 1180327548 /nfs/dbraw/zinc/32/75/48/1180327548.db2.gz CPLCRFREKLRLDM-MPNRVQBSSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C/C=C/Cl)CC1 ZINC001267733119 1180327556 /nfs/dbraw/zinc/32/75/56/1180327556.db2.gz CPLCRFREKLRLDM-MPNRVQBSSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C/C=C/Cl)CC1 ZINC001267733119 1180327566 /nfs/dbraw/zinc/32/75/66/1180327566.db2.gz CPLCRFREKLRLDM-MPNRVQBSSA-N 2 1 337.895 2.007 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001481334894 1181059877 /nfs/dbraw/zinc/05/98/77/1181059877.db2.gz BECLEYQNZYVSKU-HKUYNNGSSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268111174 1181755259 /nfs/dbraw/zinc/75/52/59/1181755259.db2.gz NFOFDBVAQATFSL-INIZCTEOSA-N 2 1 346.475 2.028 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760714 1183681166 /nfs/dbraw/zinc/68/11/66/1183681166.db2.gz XBWJNRPEDVTLTJ-IBGZPJMESA-N 2 1 341.499 2.351 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760714 1183681173 /nfs/dbraw/zinc/68/11/73/1183681173.db2.gz XBWJNRPEDVTLTJ-IBGZPJMESA-N 2 1 341.499 2.351 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001270262974 1184967969 /nfs/dbraw/zinc/96/79/69/1184967969.db2.gz AIATZSBFAMVKLM-QRVBRYPASA-N 2 1 327.472 2.098 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001482430911 1185694008 /nfs/dbraw/zinc/69/40/08/1185694008.db2.gz AALXMJQPNABTNA-RDJZCZTQSA-N 2 1 346.475 2.287 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001271777372 1186476782 /nfs/dbraw/zinc/47/67/82/1186476782.db2.gz PNPFMQHVRPXOAM-KZNAEPCWSA-N 2 1 344.503 2.452 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001271878277 1186572512 /nfs/dbraw/zinc/57/25/12/1186572512.db2.gz RAAZOWNPXITIJF-RBUKOAKNSA-N 2 1 345.462 2.002 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001425645866 1189641460 /nfs/dbraw/zinc/64/14/60/1189641460.db2.gz CKLPKEAJTYONBD-CZUORRHYSA-N 2 1 333.879 2.388 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693749 1190203064 /nfs/dbraw/zinc/20/30/64/1190203064.db2.gz RQPQBJBRACTZOX-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001409693749 1190203067 /nfs/dbraw/zinc/20/30/67/1190203067.db2.gz RQPQBJBRACTZOX-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001409693749 1190203072 /nfs/dbraw/zinc/20/30/72/1190203072.db2.gz RQPQBJBRACTZOX-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001409693749 1190203080 /nfs/dbraw/zinc/20/30/80/1190203080.db2.gz RQPQBJBRACTZOX-YOEHRIQHSA-N 2 1 348.516 2.431 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483849607 1191086153 /nfs/dbraw/zinc/08/61/53/1191086153.db2.gz YNYAJRFBKIFDIX-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483849607 1191086155 /nfs/dbraw/zinc/08/61/55/1191086155.db2.gz YNYAJRFBKIFDIX-LJQANCHMSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCC=C)CC1 ZINC001483987217 1191143442 /nfs/dbraw/zinc/14/34/42/1191143442.db2.gz ICBMVFHRSAZHCK-UHFFFAOYSA-N 2 1 333.520 2.467 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322603 1191304346 /nfs/dbraw/zinc/30/43/46/1191304346.db2.gz APKVOVKUSUWOEL-POAQFYNOSA-N 2 1 341.499 2.359 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001484987568 1191603719 /nfs/dbraw/zinc/60/37/19/1191603719.db2.gz CGYPSJAXICKCDD-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001484987568 1191603720 /nfs/dbraw/zinc/60/37/20/1191603720.db2.gz CGYPSJAXICKCDD-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484987568 1191603722 /nfs/dbraw/zinc/60/37/22/1191603722.db2.gz CGYPSJAXICKCDD-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484987568 1191603723 /nfs/dbraw/zinc/60/37/23/1191603723.db2.gz CGYPSJAXICKCDD-MJGOQNOKSA-N 2 1 327.472 2.111 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000876837790 1199791142 /nfs/dbraw/zinc/79/11/42/1199791142.db2.gz FUSZTIYTUBIKNL-KBPBESRZSA-N 2 1 328.243 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCCCF ZINC001275114421 1205260664 /nfs/dbraw/zinc/26/06/64/1205260664.db2.gz IYWGKZRWACGSST-ROUUACIJSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCCCF ZINC001275114421 1205260665 /nfs/dbraw/zinc/26/06/65/1205260665.db2.gz IYWGKZRWACGSST-ROUUACIJSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCCCF ZINC001275114421 1205260667 /nfs/dbraw/zinc/26/06/67/1205260667.db2.gz IYWGKZRWACGSST-ROUUACIJSA-N 2 1 337.483 2.147 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCCCF ZINC001275114421 1205260670 /nfs/dbraw/zinc/26/06/70/1205260670.db2.gz IYWGKZRWACGSST-ROUUACIJSA-N 2 1 337.483 2.147 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001276227481 1205843807 /nfs/dbraw/zinc/84/38/07/1205843807.db2.gz UMHIRFHLCKLZGB-QGZVFWFLSA-N 2 1 342.487 2.186 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001490761355 1291690475 /nfs/dbraw/zinc/69/04/75/1291690475.db2.gz BABVQGYXVSQNAW-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761355 1291690485 /nfs/dbraw/zinc/69/04/85/1291690485.db2.gz BABVQGYXVSQNAW-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761355 1291690496 /nfs/dbraw/zinc/69/04/96/1291690496.db2.gz BABVQGYXVSQNAW-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000931316163 1297134089 /nfs/dbraw/zinc/13/40/89/1297134089.db2.gz GWWZDXFOZIXKEU-WOJBJXKFSA-N 2 1 325.456 2.270 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001278200343 1306283904 /nfs/dbraw/zinc/28/39/04/1306283904.db2.gz DOYACVWMXZBRCD-GOSISDBHSA-N 2 1 345.531 2.301 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001278615517 1317371722 /nfs/dbraw/zinc/37/17/22/1317371722.db2.gz JCXIRSPJFUMNEQ-SFHVURJKSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264194520 1322661351 /nfs/dbraw/zinc/66/13/51/1322661351.db2.gz AJOIFTRYFHXSQK-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001264586540 1322741065 /nfs/dbraw/zinc/74/10/65/1322741065.db2.gz RAHIXCUYNJPNSQ-YZGWKJHDSA-N 2 1 345.531 2.491 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001264728074 1322793249 /nfs/dbraw/zinc/79/32/49/1322793249.db2.gz AXMHVSNZESSKDH-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001265336295 1323084550 /nfs/dbraw/zinc/08/45/50/1323084550.db2.gz VPBRYXGLLZUBKY-RBUKOAKNSA-N 2 1 339.483 2.283 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265685892 1323320298 /nfs/dbraw/zinc/32/02/98/1323320298.db2.gz FZYLZTXSFVIVQC-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001266180044 1323747383 /nfs/dbraw/zinc/74/73/83/1323747383.db2.gz XHLGMJVCAIMOBB-GOSISDBHSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001266180044 1323747391 /nfs/dbraw/zinc/74/73/91/1323747391.db2.gz XHLGMJVCAIMOBB-GOSISDBHSA-N 2 1 339.524 2.210 10 30 EEEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001279308615 1323870180 /nfs/dbraw/zinc/87/01/80/1323870180.db2.gz YWYSSUISAOWYAC-UHFFFAOYSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CCC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001280427146 1324219275 /nfs/dbraw/zinc/21/92/75/1324219275.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C#CCC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001280427146 1324219277 /nfs/dbraw/zinc/21/92/77/1324219277.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001280427146 1324219285 /nfs/dbraw/zinc/21/92/85/1324219285.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281979512 1325553879 /nfs/dbraw/zinc/55/38/79/1325553879.db2.gz AWRWQRLWACOLKF-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)c2cc(C[NH+]3CCCC3)on2)CCCCC1 ZINC001282624659 1325753980 /nfs/dbraw/zinc/75/39/80/1325753980.db2.gz MPDRAJPBKMXQIP-UHFFFAOYSA-N 2 1 346.475 2.479 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001491834643 1330268482 /nfs/dbraw/zinc/26/84/82/1330268482.db2.gz KUFGEQGULBNJJF-MAUKXSAKSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491929256 1330319050 /nfs/dbraw/zinc/31/90/50/1330319050.db2.gz NENSNJFSIDWGPF-MRXNPFEDSA-N 2 1 333.501 2.369 10 30 EEEEMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001492256380 1331117406 /nfs/dbraw/zinc/11/74/06/1331117406.db2.gz BSRNSKACUZQYIT-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001492256380 1331117410 /nfs/dbraw/zinc/11/74/10/1331117410.db2.gz BSRNSKACUZQYIT-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC001492256380 1331117415 /nfs/dbraw/zinc/11/74/15/1331117415.db2.gz BSRNSKACUZQYIT-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC001492256380 1331117417 /nfs/dbraw/zinc/11/74/17/1331117417.db2.gz BSRNSKACUZQYIT-NVXWUHKLSA-N 2 1 347.890 2.080 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317157495 1332104221 /nfs/dbraw/zinc/10/42/21/1332104221.db2.gz JBXHWSGPKIFJDH-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317282757 1332164278 /nfs/dbraw/zinc/16/42/78/1332164278.db2.gz KFAHRMYGOWNUDA-NVXWUHKLSA-N 2 1 347.890 2.128 10 30 EEEEMP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001317598172 1332318187 /nfs/dbraw/zinc/31/81/87/1332318187.db2.gz OMQUWXFYKPYOKB-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001319824894 1332777818 /nfs/dbraw/zinc/77/78/18/1332777818.db2.gz JCNZPULNRKXHST-JKSUJKDBSA-N 2 1 339.443 2.284 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001321990061 1333191209 /nfs/dbraw/zinc/19/12/09/1333191209.db2.gz FLJWRYIFISYEQG-INIZCTEOSA-N 2 1 347.478 2.249 10 30 EEEEMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001325708904 1333945172 /nfs/dbraw/zinc/94/51/72/1333945172.db2.gz XWZVRQXHXAERTC-FQEVSTJZSA-N 2 1 327.472 2.277 10 30 EEEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330056536 1334770711 /nfs/dbraw/zinc/77/07/11/1334770711.db2.gz ZFWYOYVCDAZXLM-HOCLYGCPSA-N 2 1 330.476 2.157 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001330243511 1334811411 /nfs/dbraw/zinc/81/14/11/1334811411.db2.gz GURYYQUNIPNPDG-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001330243511 1334811412 /nfs/dbraw/zinc/81/14/12/1334811412.db2.gz GURYYQUNIPNPDG-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001330243511 1334811414 /nfs/dbraw/zinc/81/14/14/1334811414.db2.gz GURYYQUNIPNPDG-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001330243511 1334811415 /nfs/dbraw/zinc/81/14/15/1334811415.db2.gz GURYYQUNIPNPDG-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001331177438 1334976463 /nfs/dbraw/zinc/97/64/63/1334976463.db2.gz UQQGCELGCFQMMH-RBUKOAKNSA-N 2 1 327.472 2.189 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001331644595 1335050788 /nfs/dbraw/zinc/05/07/88/1335050788.db2.gz PFKHHBSHTJTCJL-QQFZQELXSA-N 2 1 346.302 2.087 10 30 EEEEMP C#CC[N@@H+](CC[C@@H](O)C(C)C)C1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC001336832066 1336601929 /nfs/dbraw/zinc/60/19/29/1336601929.db2.gz BKEAMWFAJBKGPJ-VQTJNVASSA-N 2 1 338.536 2.200 10 30 EEEEMP C#CC[N@H+](CC[C@@H](O)C(C)C)C1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC001336832066 1336601931 /nfs/dbraw/zinc/60/19/31/1336601931.db2.gz BKEAMWFAJBKGPJ-VQTJNVASSA-N 2 1 338.536 2.200 10 30 EEEEMP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001506664248 1342306699 /nfs/dbraw/zinc/30/66/99/1342306699.db2.gz JWGIVZZDZXCMSS-GOSISDBHSA-N 2 1 341.499 2.207 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566740207 1342619853 /nfs/dbraw/zinc/61/98/53/1342619853.db2.gz SENMZSDOOIYPAW-HKUYNNGSSA-N 2 1 333.520 2.465 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001566909561 1342650506 /nfs/dbraw/zinc/65/05/06/1342650506.db2.gz ZXRTZNDCSPQUFX-HXUWFJFHSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001569597477 1342905939 /nfs/dbraw/zinc/90/59/39/1342905939.db2.gz GAJMXUWLMJWAIO-PMACEKPBSA-N 2 1 335.451 2.314 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176902 1343024415 /nfs/dbraw/zinc/02/44/15/1343024415.db2.gz ARINHFLNOSHXAR-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001570176902 1343024422 /nfs/dbraw/zinc/02/44/22/1343024422.db2.gz ARINHFLNOSHXAR-IAGOWNOFSA-N 2 1 330.476 2.391 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001649458981 1353516714 /nfs/dbraw/zinc/51/67/14/1353516714.db2.gz RBINJRNGDFFSRH-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001664721806 1355222459 /nfs/dbraw/zinc/22/24/59/1355222459.db2.gz LBFUYTIRERDFFX-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001664721806 1355222465 /nfs/dbraw/zinc/22/24/65/1355222465.db2.gz LBFUYTIRERDFFX-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001664721806 1355222470 /nfs/dbraw/zinc/22/24/70/1355222470.db2.gz LBFUYTIRERDFFX-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001664721806 1355222474 /nfs/dbraw/zinc/22/24/74/1355222474.db2.gz LBFUYTIRERDFFX-ROUUACIJSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835763 1355239367 /nfs/dbraw/zinc/23/93/67/1355239367.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001664835763 1355239372 /nfs/dbraw/zinc/23/93/72/1355239372.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001664835763 1355239375 /nfs/dbraw/zinc/23/93/75/1355239375.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835766 1355239628 /nfs/dbraw/zinc/23/96/28/1355239628.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001664835766 1355239634 /nfs/dbraw/zinc/23/96/34/1355239634.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001664835766 1355239638 /nfs/dbraw/zinc/23/96/38/1355239638.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 2 1 337.483 2.003 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726226 1355576984 /nfs/dbraw/zinc/57/69/84/1355576984.db2.gz ZUBVSBGLOXZUSC-DLBZAZTESA-N 2 1 348.491 2.178 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001666726226 1355576990 /nfs/dbraw/zinc/57/69/90/1355576990.db2.gz ZUBVSBGLOXZUSC-DLBZAZTESA-N 2 1 348.491 2.178 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669572068 1356176617 /nfs/dbraw/zinc/17/66/17/1356176617.db2.gz MBRWNGTVHNPXNF-PKOBYXMFSA-N 2 1 327.472 2.007 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1CC ZINC001672175804 1356473698 /nfs/dbraw/zinc/47/36/98/1356473698.db2.gz ANHPRLGTFXBKHR-SFHVURJKSA-N 2 1 326.444 2.387 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001672177148 1356474293 /nfs/dbraw/zinc/47/42/93/1356474293.db2.gz SBOLFHMLLQGZLR-RTBURBONSA-N 2 1 327.472 2.113 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001672233488 1356485623 /nfs/dbraw/zinc/48/56/23/1356485623.db2.gz BSWWPFYKMVTPBR-JKSUJKDBSA-N 2 1 339.443 2.284 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001673650093 1356727038 /nfs/dbraw/zinc/72/70/38/1356727038.db2.gz DRXFCPFGGNFBLD-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001675185109 1356943080 /nfs/dbraw/zinc/94/30/80/1356943080.db2.gz IUNZDEAYWVDADV-MSOLQXFVSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675689193 1357036881 /nfs/dbraw/zinc/03/68/81/1357036881.db2.gz YAVUMUNAMJUGMO-YTQUADARSA-N 2 1 339.499 2.413 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772113 1405052877 /nfs/dbraw/zinc/05/28/77/1405052877.db2.gz LQCPESJCTIBXHY-MRXNPFEDSA-N 2 1 349.906 2.375 10 30 EEEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699943373 1405592806 /nfs/dbraw/zinc/59/28/06/1405592806.db2.gz HNCUFOQBIOMGNY-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857715 779445685 /nfs/dbraw/zinc/44/56/85/779445685.db2.gz BNJYRWOJYXTXNW-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857715 779445689 /nfs/dbraw/zinc/44/56/89/779445689.db2.gz BNJYRWOJYXTXNW-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857715 779445695 /nfs/dbraw/zinc/44/56/95/779445695.db2.gz BNJYRWOJYXTXNW-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000907958819 784986941 /nfs/dbraw/zinc/98/69/41/784986941.db2.gz XZOMCACPWKZNFC-UHFFFAOYSA-N 2 1 339.867 2.211 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000907958819 784986949 /nfs/dbraw/zinc/98/69/49/784986949.db2.gz XZOMCACPWKZNFC-UHFFFAOYSA-N 2 1 339.867 2.211 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001566074523 1125547105 /nfs/dbraw/zinc/54/71/05/1125547105.db2.gz KFWNCXQUKJOVHV-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001436464662 1087921747 /nfs/dbraw/zinc/92/17/47/1087921747.db2.gz ZLTZAAKVXUQINH-OWCLPIDISA-N 2 1 345.890 2.199 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001436464662 1087921757 /nfs/dbraw/zinc/92/17/57/1087921757.db2.gz ZLTZAAKVXUQINH-OWCLPIDISA-N 2 1 345.890 2.199 10 30 EEEEMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543523 1090001448 /nfs/dbraw/zinc/00/14/48/1090001448.db2.gz XYNUTWREADKEAF-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001437543523 1090001460 /nfs/dbraw/zinc/00/14/60/1090001460.db2.gz XYNUTWREADKEAF-GJZGRUSLSA-N 2 1 348.516 2.288 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445558561 1091332487 /nfs/dbraw/zinc/33/24/87/1091332487.db2.gz GHHPNQZKVXGWMC-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615004 1091409485 /nfs/dbraw/zinc/40/94/85/1091409485.db2.gz VVIKWMKILSYNJZ-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439256096 1091905635 /nfs/dbraw/zinc/90/56/35/1091905635.db2.gz GARZDSUJCMORJS-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439622577 1092535835 /nfs/dbraw/zinc/53/58/35/1092535835.db2.gz ROWSOADBGRAGJM-AWEZNQCLSA-N 2 1 346.500 2.233 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849675 1095935360 /nfs/dbraw/zinc/93/53/60/1095935360.db2.gz MYJHQASNUFWBCQ-CZUORRHYSA-N 2 1 334.489 2.087 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480382943 1100177697 /nfs/dbraw/zinc/17/76/97/1100177697.db2.gz MEOYSFMNGFEGSF-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382943 1100177702 /nfs/dbraw/zinc/17/77/02/1100177702.db2.gz MEOYSFMNGFEGSF-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382943 1100177706 /nfs/dbraw/zinc/17/77/06/1100177706.db2.gz MEOYSFMNGFEGSF-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP C=CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496404903 1100998746 /nfs/dbraw/zinc/99/87/46/1100998746.db2.gz VGELDUHOTJRCJT-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001495480575 1101189065 /nfs/dbraw/zinc/18/90/65/1101189065.db2.gz YROBXSXRPWPRHA-TVFCKZIOSA-N 2 1 337.508 2.079 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001495480575 1101189068 /nfs/dbraw/zinc/18/90/68/1101189068.db2.gz YROBXSXRPWPRHA-TVFCKZIOSA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC001497403327 1102436287 /nfs/dbraw/zinc/43/62/87/1102436287.db2.gz JCSYVSMBEHSZSO-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC001497403327 1102436294 /nfs/dbraw/zinc/43/62/94/1102436294.db2.gz JCSYVSMBEHSZSO-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001494180796 1103658854 /nfs/dbraw/zinc/65/88/54/1103658854.db2.gz BMBSTNRTIZUZOE-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001494180796 1103658857 /nfs/dbraw/zinc/65/88/57/1103658857.db2.gz BMBSTNRTIZUZOE-FQEVSTJZSA-N 2 1 341.499 2.455 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001498499016 1107639114 /nfs/dbraw/zinc/63/91/14/1107639114.db2.gz WMEDWNFXNQDDRY-MSOLQXFVSA-N 2 1 330.476 2.260 10 30 EEEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493240733 1107753301 /nfs/dbraw/zinc/75/33/01/1107753301.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240733 1107753311 /nfs/dbraw/zinc/75/33/11/1107753311.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240733 1107753324 /nfs/dbraw/zinc/75/33/24/1107753324.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1CC)C(C)C ZINC001467659898 1110461140 /nfs/dbraw/zinc/46/11/40/1110461140.db2.gz BPGVFWBAXQVRHX-ZWKOTPCHSA-N 2 1 336.524 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001500511786 1112904645 /nfs/dbraw/zinc/90/46/45/1112904645.db2.gz KHFMCNLMZJVYDJ-FQEVSTJZSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500511786 1112904649 /nfs/dbraw/zinc/90/46/49/1112904649.db2.gz KHFMCNLMZJVYDJ-FQEVSTJZSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500511786 1112904653 /nfs/dbraw/zinc/90/46/53/1112904653.db2.gz KHFMCNLMZJVYDJ-FQEVSTJZSA-N 2 1 333.520 2.493 10 30 EEEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001501669045 1113425434 /nfs/dbraw/zinc/42/54/34/1113425434.db2.gz YLRRQLOSBSIBIZ-UHFFFAOYSA-N 2 1 327.472 2.407 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001507389862 1115247012 /nfs/dbraw/zinc/24/70/12/1115247012.db2.gz PPORDAJPJZODNA-UXHICEINSA-N 2 1 341.499 2.200 10 30 EEEEMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001568155223 1124330440 /nfs/dbraw/zinc/33/04/40/1124330440.db2.gz HKPCQUNXNUWZIJ-UHFFFAOYSA-N 2 1 342.487 2.310 10 30 EEEEMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001568155223 1124330445 /nfs/dbraw/zinc/33/04/45/1124330445.db2.gz HKPCQUNXNUWZIJ-UHFFFAOYSA-N 2 1 342.487 2.310 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568645595 1124658389 /nfs/dbraw/zinc/65/83/89/1124658389.db2.gz IVEYABCEDLZOPA-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000105139804 463439548 /nfs/dbraw/zinc/43/95/48/463439548.db2.gz HMNCJRAJHOOALB-SFHVURJKSA-N 2 1 334.508 2.175 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246564399 464600815 /nfs/dbraw/zinc/60/08/15/464600815.db2.gz YFFYZKGRPRTADA-FUHWJXTLSA-N 2 1 336.524 2.399 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594440267 468589165 /nfs/dbraw/zinc/58/91/65/468589165.db2.gz BFTHMMOPJGLPLX-RBUKOAKNSA-N 2 1 342.487 2.351 10 30 EEEEMP C=CC[C@]1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744995 472231250 /nfs/dbraw/zinc/23/12/50/472231250.db2.gz CJECCBZAZSCHTD-UYAOXDASSA-N 2 1 327.472 2.418 10 30 EEEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C1 ZINC001279409787 1176581016 /nfs/dbraw/zinc/58/10/16/1176581016.db2.gz MGCGGKYWHCDNAW-CALCHBBNSA-N 2 1 332.492 2.323 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001266487015 1176621981 /nfs/dbraw/zinc/62/19/81/1176621981.db2.gz YMNNMXNEAZUNCN-BBWFWOEESA-N 2 1 325.472 2.308 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001266813087 1177472266 /nfs/dbraw/zinc/47/22/66/1177472266.db2.gz DFUBZAQAFCAYLS-OAHLLOKOSA-N 2 1 348.516 2.290 10 30 EEEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855996 1177582016 /nfs/dbraw/zinc/58/20/16/1177582016.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855996 1177582019 /nfs/dbraw/zinc/58/20/19/1177582019.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855996 1177582024 /nfs/dbraw/zinc/58/20/24/1177582024.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 2 1 337.483 2.193 10 30 EEEEMP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001266882182 1177695961 /nfs/dbraw/zinc/69/59/61/1177695961.db2.gz DFMVQEAGNKNQQA-MOPGFXCFSA-N 2 1 340.471 2.123 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267102246 1178245211 /nfs/dbraw/zinc/24/52/11/1178245211.db2.gz YXQSVFUMXZZMSK-PMACEKPBSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267102246 1178245217 /nfs/dbraw/zinc/24/52/17/1178245217.db2.gz YXQSVFUMXZZMSK-PMACEKPBSA-N 2 1 339.483 2.055 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267102246 1178245222 /nfs/dbraw/zinc/24/52/22/1178245222.db2.gz YXQSVFUMXZZMSK-PMACEKPBSA-N 2 1 339.483 2.055 10 30 EEEEMP CC[N@H+](C)CCC(=O)NCC[NH+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001481193434 1180055722 /nfs/dbraw/zinc/05/57/22/1180055722.db2.gz UZDUCCLYPXDEHW-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCC[NH+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001481193434 1180055731 /nfs/dbraw/zinc/05/57/31/1180055731.db2.gz UZDUCCLYPXDEHW-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001481193434 1180055735 /nfs/dbraw/zinc/05/57/35/1180055735.db2.gz UZDUCCLYPXDEHW-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](C)CCC(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC001481193434 1180055744 /nfs/dbraw/zinc/05/57/44/1180055744.db2.gz UZDUCCLYPXDEHW-UHFFFAOYSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268191015 1181979546 /nfs/dbraw/zinc/97/95/46/1181979546.db2.gz GMIMOSUTFRFBPH-ICSRJNTNSA-N 2 1 341.499 2.011 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001482015834 1183133986 /nfs/dbraw/zinc/13/39/86/1183133986.db2.gz JUSUILBYGFYOTC-KZNAEPCWSA-N 2 1 337.508 2.079 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268686483 1183608883 /nfs/dbraw/zinc/60/88/83/1183608883.db2.gz CZKVYLGUFXXGLA-HDMKZQKVSA-N 2 1 347.890 2.126 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268958238 1183850488 /nfs/dbraw/zinc/85/04/88/1183850488.db2.gz JCGSABRYQDLCNJ-KDURUIRLSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001269838663 1184657699 /nfs/dbraw/zinc/65/76/99/1184657699.db2.gz HXZUHBMUSSNXNM-APWZRJJASA-N 2 1 349.519 2.127 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346083 1185035216 /nfs/dbraw/zinc/03/52/16/1185035216.db2.gz YMQPGDRGXCEIPT-VIQWUECVSA-N 2 1 345.531 2.301 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270429736 1185095549 /nfs/dbraw/zinc/09/55/49/1185095549.db2.gz GKSKXDKDBDYMIF-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001482509372 1186426821 /nfs/dbraw/zinc/42/68/21/1186426821.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001482509372 1186426825 /nfs/dbraw/zinc/42/68/25/1186426825.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001482509372 1186426826 /nfs/dbraw/zinc/42/68/26/1186426826.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001272053552 1187287048 /nfs/dbraw/zinc/28/70/48/1187287048.db2.gz NOYLSOOBCUIZKV-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001272053552 1187287052 /nfs/dbraw/zinc/28/70/52/1187287052.db2.gz NOYLSOOBCUIZKV-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001272053552 1187287055 /nfs/dbraw/zinc/28/70/55/1187287055.db2.gz NOYLSOOBCUIZKV-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482842004 1187761105 /nfs/dbraw/zinc/76/11/05/1187761105.db2.gz RVDDLBSEYPOPAX-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482842004 1187761106 /nfs/dbraw/zinc/76/11/06/1187761106.db2.gz RVDDLBSEYPOPAX-KDOFPFPSSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001272178620 1187987213 /nfs/dbraw/zinc/98/72/13/1187987213.db2.gz NCYLWSAMPNOQRX-UHFFFAOYSA-N 2 1 341.499 2.230 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279156795 1193551820 /nfs/dbraw/zinc/55/18/20/1193551820.db2.gz YJWBPWPORJYYRA-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP N#Cc1ccccc1C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001483096500 1188471085 /nfs/dbraw/zinc/47/10/85/1188471085.db2.gz BZMRREAXIYHEEW-SNAWJCMRSA-N 2 1 340.471 2.196 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001483810751 1191055733 /nfs/dbraw/zinc/05/57/33/1191055733.db2.gz LQVSENGNWMSSRV-MSOLQXFVSA-N 2 1 328.460 2.060 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001483810751 1191055734 /nfs/dbraw/zinc/05/57/34/1191055734.db2.gz LQVSENGNWMSSRV-MSOLQXFVSA-N 2 1 328.460 2.060 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2nccn2C)CC1 ZINC001483816823 1191061164 /nfs/dbraw/zinc/06/11/64/1191061164.db2.gz PEDAFVWAFLVFRL-UHFFFAOYSA-N 2 1 330.476 2.242 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001484138932 1191229714 /nfs/dbraw/zinc/22/97/14/1191229714.db2.gz SHLWHFOOJRFDTL-ROUUACIJSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001484147013 1191235374 /nfs/dbraw/zinc/23/53/74/1191235374.db2.gz NPRNRWVWBBOBGB-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001484147013 1191235377 /nfs/dbraw/zinc/23/53/77/1191235377.db2.gz NPRNRWVWBBOBGB-UHFFFAOYSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC#C)CC1 ZINC001484820977 1191540193 /nfs/dbraw/zinc/54/01/93/1191540193.db2.gz IYFPEZOPZXYYGU-FQEVSTJZSA-N 2 1 343.515 2.106 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC#C)CC1 ZINC001484820977 1191540195 /nfs/dbraw/zinc/54/01/95/1191540195.db2.gz IYFPEZOPZXYYGU-FQEVSTJZSA-N 2 1 343.515 2.106 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001410844393 1198494720 /nfs/dbraw/zinc/49/47/20/1198494720.db2.gz JDWSPXYKQICAOI-KDOFPFPSSA-N 2 1 346.450 2.117 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000876718188 1199736723 /nfs/dbraw/zinc/73/67/23/1199736723.db2.gz NBIZNEHNEADEGX-QGZVFWFLSA-N 2 1 335.879 2.499 10 30 EEEEMP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(=O)NCC[NH+](C)C ZINC000866324686 1201492365 /nfs/dbraw/zinc/49/23/65/1201492365.db2.gz BGPLZXIZNOWXGH-PBHICJAKSA-N 2 1 346.475 2.007 10 30 EEEEMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001274950740 1205216906 /nfs/dbraw/zinc/21/69/06/1205216906.db2.gz VFRNHOFGFGQFHJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001274950740 1205216908 /nfs/dbraw/zinc/21/69/08/1205216908.db2.gz VFRNHOFGFGQFHJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001274950740 1205216912 /nfs/dbraw/zinc/21/69/12/1205216912.db2.gz VFRNHOFGFGQFHJ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001275574066 1205423291 /nfs/dbraw/zinc/42/32/91/1205423291.db2.gz NEPHEGYVSRCOJS-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001275574066 1205423293 /nfs/dbraw/zinc/42/32/93/1205423293.db2.gz NEPHEGYVSRCOJS-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001275574066 1205423295 /nfs/dbraw/zinc/42/32/95/1205423295.db2.gz NEPHEGYVSRCOJS-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cccc(Cl)c1 ZINC001275574066 1205423298 /nfs/dbraw/zinc/42/32/98/1205423298.db2.gz NEPHEGYVSRCOJS-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1 ZINC001275977483 1205614621 /nfs/dbraw/zinc/61/46/21/1205614621.db2.gz SNFFGBXANZNJLR-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC001275977483 1205614622 /nfs/dbraw/zinc/61/46/22/1205614622.db2.gz SNFFGBXANZNJLR-SFHVURJKSA-N 2 1 329.488 2.207 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782474 1214694376 /nfs/dbraw/zinc/69/43/76/1214694376.db2.gz OMXXYUXUIMHTDI-IPMKNSEASA-N 2 1 327.472 2.187 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000900566071 1234492907 /nfs/dbraw/zinc/49/29/07/1234492907.db2.gz LGRIDXYSFAGJTE-LJQANCHMSA-N 2 1 329.488 2.175 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001491263109 1258862013 /nfs/dbraw/zinc/86/20/13/1258862013.db2.gz DKQVOSRSLQDFPO-APWZRJJASA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC001491486786 1259136566 /nfs/dbraw/zinc/13/65/66/1259136566.db2.gz PBAJGPPHXSQNRQ-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC001491486786 1259136571 /nfs/dbraw/zinc/13/65/71/1259136571.db2.gz PBAJGPPHXSQNRQ-PXNSSMCTSA-N 2 1 341.499 2.331 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001489202707 1290444909 /nfs/dbraw/zinc/44/49/09/1290444909.db2.gz LKOUEMMFVKAPBF-MOPGFXCFSA-N 2 1 333.520 2.465 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931316162 1297133279 /nfs/dbraw/zinc/13/32/79/1297133279.db2.gz GWWZDXFOZIXKEU-PMACEKPBSA-N 2 1 325.456 2.270 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001278194957 1306246240 /nfs/dbraw/zinc/24/62/40/1306246240.db2.gz YGBKFHCEMKXEIX-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434719 1310254823 /nfs/dbraw/zinc/25/48/23/1310254823.db2.gz UXVVLJPQNBUZIY-LPHOPBHVSA-N 2 1 337.508 2.033 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001279002890 1318969730 /nfs/dbraw/zinc/96/97/30/1318969730.db2.gz QVIMCUMMBSXGOV-DNVCBOLYSA-N 2 1 339.499 2.343 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264032031 1322592361 /nfs/dbraw/zinc/59/23/61/1322592361.db2.gz GHJLJXVFJNGRIK-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001264432287 1322700572 /nfs/dbraw/zinc/70/05/72/1322700572.db2.gz QFGUKMFHVDHBDF-WKILWMFISA-N 2 1 346.475 2.335 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001264993441 1322842011 /nfs/dbraw/zinc/84/20/11/1322842011.db2.gz MGBOQZYVKFSEJD-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001264993441 1322842015 /nfs/dbraw/zinc/84/20/15/1322842015.db2.gz MGBOQZYVKFSEJD-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001264993441 1322842017 /nfs/dbraw/zinc/84/20/17/1322842017.db2.gz MGBOQZYVKFSEJD-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142500 1322945172 /nfs/dbraw/zinc/94/51/72/1322945172.db2.gz JYRBYXAYFHQXCY-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142500 1322945178 /nfs/dbraw/zinc/94/51/78/1322945178.db2.gz JYRBYXAYFHQXCY-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142500 1322945183 /nfs/dbraw/zinc/94/51/83/1322945183.db2.gz JYRBYXAYFHQXCY-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001265230477 1322998282 /nfs/dbraw/zinc/99/82/82/1322998282.db2.gz GGJDYXRXBKWNSQ-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001266120095 1323689976 /nfs/dbraw/zinc/68/99/76/1323689976.db2.gz SVNDSNAADDUOBD-LJQANCHMSA-N 2 1 331.504 2.221 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266241901 1323831355 /nfs/dbraw/zinc/83/13/55/1323831355.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266241901 1323831362 /nfs/dbraw/zinc/83/13/62/1323831362.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266241901 1323831370 /nfs/dbraw/zinc/83/13/70/1323831370.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001281840108 1325483996 /nfs/dbraw/zinc/48/39/96/1325483996.db2.gz JUPXAOPGIHDHCF-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001281840108 1325483997 /nfs/dbraw/zinc/48/39/97/1325483997.db2.gz JUPXAOPGIHDHCF-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001281840108 1325484002 /nfs/dbraw/zinc/48/40/02/1325484002.db2.gz JUPXAOPGIHDHCF-IBGZPJMESA-N 2 1 333.520 2.302 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001281965405 1325539971 /nfs/dbraw/zinc/53/99/71/1325539971.db2.gz SICOVTSZZGTZSH-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001281965405 1325539973 /nfs/dbraw/zinc/53/99/73/1325539973.db2.gz SICOVTSZZGTZSH-GOSISDBHSA-N 2 1 339.443 2.380 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001282614667 1325752170 /nfs/dbraw/zinc/75/21/70/1325752170.db2.gz FFJWAFKQXKAEGT-MSOLQXFVSA-N 2 1 331.504 2.435 10 30 EEEEMP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001283350203 1326023984 /nfs/dbraw/zinc/02/39/84/1326023984.db2.gz GRPYEJACIBSJRB-IBGZPJMESA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284147975 1326434807 /nfs/dbraw/zinc/43/48/07/1326434807.db2.gz CCPYBDOZPGOBJP-PMACEKPBSA-N 2 1 341.499 2.201 10 30 EEEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001316769133 1331882615 /nfs/dbraw/zinc/88/26/15/1331882615.db2.gz FUONZTICZCRXLH-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001316769133 1331882622 /nfs/dbraw/zinc/88/26/22/1331882622.db2.gz FUONZTICZCRXLH-LJQANCHMSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001317718422 1332386807 /nfs/dbraw/zinc/38/68/07/1332386807.db2.gz NZYBQKBAHVDJST-GOSISDBHSA-N 2 1 327.472 2.331 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686296 1332577418 /nfs/dbraw/zinc/57/74/18/1332577418.db2.gz JRHSCRZPNNEYDF-CTNGQTDRSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319470937 1332707546 /nfs/dbraw/zinc/70/75/46/1332707546.db2.gz ACJBRGCROFUGKF-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319470937 1332707551 /nfs/dbraw/zinc/70/75/51/1332707551.db2.gz ACJBRGCROFUGKF-KPHVFVAGSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322548501 1333281084 /nfs/dbraw/zinc/28/10/84/1333281084.db2.gz CMTQSEKLACAUGG-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322548501 1333281086 /nfs/dbraw/zinc/28/10/86/1333281086.db2.gz CMTQSEKLACAUGG-APWZRJJASA-N 2 1 345.462 2.422 10 30 EEEEMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001323657800 1333510311 /nfs/dbraw/zinc/51/03/11/1333510311.db2.gz DQVFUPYWBFPXLZ-IPQPSQTFSA-N 2 1 331.504 2.384 10 30 EEEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001324645198 1333730200 /nfs/dbraw/zinc/73/02/00/1333730200.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645198 1333730201 /nfs/dbraw/zinc/73/02/01/1333730201.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645198 1333730203 /nfs/dbraw/zinc/73/02/03/1333730203.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974983 1333800559 /nfs/dbraw/zinc/80/05/59/1333800559.db2.gz DPOMTEPVMIFYFH-HXUWFJFHSA-N 2 1 327.472 2.213 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001325560462 1333911720 /nfs/dbraw/zinc/91/17/20/1333911720.db2.gz BUPJLOZZBKFPPF-PKOBYXMFSA-N 2 1 329.488 2.031 10 30 EEEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001327478563 1334299386 /nfs/dbraw/zinc/29/93/86/1334299386.db2.gz JIKSPLLMUUTEHK-UHFFFAOYSA-N 2 1 330.476 2.391 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001330896619 1334923174 /nfs/dbraw/zinc/92/31/74/1334923174.db2.gz XSUPIAQTOPTLFE-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330916770 1334926442 /nfs/dbraw/zinc/92/64/42/1334926442.db2.gz OHPDSXBNOWROJW-MAUKXSAKSA-N 2 1 325.472 2.097 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001333482117 1336057332 /nfs/dbraw/zinc/05/73/32/1336057332.db2.gz KLDPQSMIRBHBJV-IBGZPJMESA-N 2 1 345.462 2.429 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346207 1342554506 /nfs/dbraw/zinc/55/45/06/1342554506.db2.gz JWHNKRVWUPEENN-LJQANCHMSA-N 2 1 348.535 2.382 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346207 1342554509 /nfs/dbraw/zinc/55/45/09/1342554509.db2.gz JWHNKRVWUPEENN-LJQANCHMSA-N 2 1 348.535 2.382 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967922 1342668356 /nfs/dbraw/zinc/66/83/56/1342668356.db2.gz YUMBSTWVTZORIH-RBUKOAKNSA-N 2 1 333.520 2.493 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021582 1342680748 /nfs/dbraw/zinc/68/07/48/1342680748.db2.gz MDDYUZSDKHWIOX-MJGOQNOKSA-N 2 1 327.472 2.007 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001567698908 1342815151 /nfs/dbraw/zinc/81/51/51/1342815151.db2.gz ANKVDBJIBOCFSI-IRXDYDNUSA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001567698908 1342815155 /nfs/dbraw/zinc/81/51/55/1342815155.db2.gz ANKVDBJIBOCFSI-IRXDYDNUSA-N 2 1 330.476 2.248 10 30 EEEEMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001676018625 1357090126 /nfs/dbraw/zinc/09/01/26/1357090126.db2.gz QDWOMCARDXQVIC-HNNXBMFYSA-N 2 1 339.443 2.138 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001570553210 1343084005 /nfs/dbraw/zinc/08/40/05/1343084005.db2.gz HXCMBJUISLNQRJ-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001570553210 1343084010 /nfs/dbraw/zinc/08/40/10/1343084010.db2.gz HXCMBJUISLNQRJ-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001570553210 1343084014 /nfs/dbraw/zinc/08/40/14/1343084014.db2.gz HXCMBJUISLNQRJ-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001676267974 1357128455 /nfs/dbraw/zinc/12/84/55/1357128455.db2.gz KJNZJXNNOQNBMS-FQEVSTJZSA-N 2 1 341.499 2.207 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001676488554 1357157093 /nfs/dbraw/zinc/15/70/93/1357157093.db2.gz QKKBEBVGVOOFSW-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554669 1352631148 /nfs/dbraw/zinc/63/11/48/1352631148.db2.gz GBWZTMSZFGKYHZ-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554669 1352631152 /nfs/dbraw/zinc/63/11/52/1352631152.db2.gz GBWZTMSZFGKYHZ-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C/CC)CC1 ZINC001656109128 1354202847 /nfs/dbraw/zinc/20/28/47/1354202847.db2.gz FRGXEPQRCZVMLX-OVKVCFKUSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001661096728 1354590775 /nfs/dbraw/zinc/59/07/75/1354590775.db2.gz BETAAFBMLUEPKU-FQEVSTJZSA-N 2 1 331.504 2.199 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001664836729 1355239527 /nfs/dbraw/zinc/23/95/27/1355239527.db2.gz YJTJFDMIGYUKOX-INIZCTEOSA-N 2 1 346.475 2.240 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001664836729 1355239530 /nfs/dbraw/zinc/23/95/30/1355239530.db2.gz YJTJFDMIGYUKOX-INIZCTEOSA-N 2 1 346.475 2.240 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001666647030 1355558836 /nfs/dbraw/zinc/55/88/36/1355558836.db2.gz VRSZTDMBMMXQPW-MRXNPFEDSA-N 2 1 349.906 2.375 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001666927209 1355616056 /nfs/dbraw/zinc/61/60/56/1355616056.db2.gz HNSQGUJYXQTKSN-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001666927209 1355616061 /nfs/dbraw/zinc/61/60/61/1355616061.db2.gz HNSQGUJYXQTKSN-MJGOQNOKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420790 1355738071 /nfs/dbraw/zinc/73/80/71/1355738071.db2.gz DFZIQCNERKJVHY-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001667420790 1355738078 /nfs/dbraw/zinc/73/80/78/1355738078.db2.gz DFZIQCNERKJVHY-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001667420790 1355738082 /nfs/dbraw/zinc/73/80/82/1355738082.db2.gz DFZIQCNERKJVHY-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001672177146 1356474496 /nfs/dbraw/zinc/47/44/96/1356474496.db2.gz SBOLFHMLLQGZLR-OALUTQOASA-N 2 1 327.472 2.113 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)CCC=C)CC2 ZINC001673008888 1356631237 /nfs/dbraw/zinc/63/12/37/1356631237.db2.gz NQOHOBTVWXODJL-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)CCC=C)CC2 ZINC001673008888 1356631241 /nfs/dbraw/zinc/63/12/41/1356631241.db2.gz NQOHOBTVWXODJL-OALUTQOASA-N 2 1 343.515 2.363 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001673376758 1356679948 /nfs/dbraw/zinc/67/99/48/1356679948.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001673376758 1356679950 /nfs/dbraw/zinc/67/99/50/1356679950.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001673376758 1356679953 /nfs/dbraw/zinc/67/99/53/1356679953.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001673625286 1356719594 /nfs/dbraw/zinc/71/95/94/1356719594.db2.gz PCZOXCUCEBHWSS-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001673625286 1356719597 /nfs/dbraw/zinc/71/95/97/1356719597.db2.gz PCZOXCUCEBHWSS-UHFFFAOYSA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001673633804 1356721338 /nfs/dbraw/zinc/72/13/38/1356721338.db2.gz LAIASTIQJAJURY-FQEVSTJZSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001673633804 1356721340 /nfs/dbraw/zinc/72/13/40/1356721340.db2.gz LAIASTIQJAJURY-FQEVSTJZSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001673633804 1356721346 /nfs/dbraw/zinc/72/13/46/1356721346.db2.gz LAIASTIQJAJURY-FQEVSTJZSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001673633804 1356721350 /nfs/dbraw/zinc/72/13/50/1356721350.db2.gz LAIASTIQJAJURY-FQEVSTJZSA-N 2 1 339.483 2.037 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646600 1356725552 /nfs/dbraw/zinc/72/55/52/1356725552.db2.gz YQDQWWNZDABAET-FQEVSTJZSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001699104284 1405258185 /nfs/dbraw/zinc/25/81/85/1405258185.db2.gz GXUNAEWRAXJDDO-CQSZACIVSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001566126852 1125576244 /nfs/dbraw/zinc/57/62/44/1125576244.db2.gz DPPPLPNKGSPEBG-UHFFFAOYSA-N 2 1 348.516 2.035 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001449004012 1094001676 /nfs/dbraw/zinc/00/16/76/1094001676.db2.gz DDVMEUCXHSKJQO-AZUAARDMSA-N 2 1 340.471 2.123 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001441542656 1095263286 /nfs/dbraw/zinc/26/32/86/1095263286.db2.gz CUYBDSKVAAREAY-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249565 1096551704 /nfs/dbraw/zinc/55/17/04/1096551704.db2.gz FMURNGABKLBDEI-LPHOPBHVSA-N 2 1 342.487 2.415 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402922 1096724767 /nfs/dbraw/zinc/72/47/67/1096724767.db2.gz DEVOEFBTGMOSOI-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402922 1096724771 /nfs/dbraw/zinc/72/47/71/1096724771.db2.gz DEVOEFBTGMOSOI-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402922 1096724776 /nfs/dbraw/zinc/72/47/76/1096724776.db2.gz DEVOEFBTGMOSOI-SFHVURJKSA-N 2 1 346.450 2.118 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479737495 1098849612 /nfs/dbraw/zinc/84/96/12/1098849612.db2.gz PNMJVLZNURQBKS-SFHVURJKSA-N 2 1 330.476 2.308 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001479737495 1098849614 /nfs/dbraw/zinc/84/96/14/1098849614.db2.gz PNMJVLZNURQBKS-SFHVURJKSA-N 2 1 330.476 2.308 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001479847847 1099142014 /nfs/dbraw/zinc/14/20/14/1099142014.db2.gz UMZABOHVAWYPII-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001479847847 1099142017 /nfs/dbraw/zinc/14/20/17/1099142017.db2.gz UMZABOHVAWYPII-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001479847847 1099142024 /nfs/dbraw/zinc/14/20/24/1099142024.db2.gz UMZABOHVAWYPII-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001496535841 1101135658 /nfs/dbraw/zinc/13/56/58/1101135658.db2.gz XAZCYWONJQEARA-ROUUACIJSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001496076001 1102017437 /nfs/dbraw/zinc/01/74/37/1102017437.db2.gz BODQVKAFDXANRB-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC001496076001 1102017450 /nfs/dbraw/zinc/01/74/50/1102017450.db2.gz BODQVKAFDXANRB-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001447438614 1102656197 /nfs/dbraw/zinc/65/61/97/1102656197.db2.gz KMRIVTCFILDFRJ-KRWDZBQOSA-N 2 1 327.900 2.395 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001497766079 1103064027 /nfs/dbraw/zinc/06/40/27/1103064027.db2.gz UCXIJAPODMWZPF-ARHOITHKSA-N 2 1 339.483 2.173 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001495058075 1104695013 /nfs/dbraw/zinc/69/50/13/1104695013.db2.gz MQJHIHPSEOCDMP-CJNGLKHVSA-N 2 1 333.879 2.436 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480730114 1106990793 /nfs/dbraw/zinc/99/07/93/1106990793.db2.gz KWYVOVYGMRMHMK-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001501187162 1113233979 /nfs/dbraw/zinc/23/39/79/1113233979.db2.gz YTRWMIICYFZZHS-BZSNNMDCSA-N 2 1 344.503 2.452 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC(C)C ZINC001501662682 1113421093 /nfs/dbraw/zinc/42/10/93/1113421093.db2.gz DXSMWFWCCUESNR-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC(C)C ZINC001501662682 1113421095 /nfs/dbraw/zinc/42/10/95/1113421095.db2.gz DXSMWFWCCUESNR-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC(C)C ZINC001501662682 1113421097 /nfs/dbraw/zinc/42/10/97/1113421097.db2.gz DXSMWFWCCUESNR-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC(C)C ZINC001501662682 1113421098 /nfs/dbraw/zinc/42/10/98/1113421098.db2.gz DXSMWFWCCUESNR-FQEVSTJZSA-N 2 1 341.499 2.488 10 30 EEEEMP C=CC[NH2+]C1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001502802336 1113804412 /nfs/dbraw/zinc/80/44/12/1113804412.db2.gz KGCHIHOCUAROCS-UHFFFAOYSA-N 2 1 325.416 2.038 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001505691436 1114133400 /nfs/dbraw/zinc/13/34/00/1114133400.db2.gz WPCFXSIAFSFIDP-STQMWFEESA-N 2 1 340.855 2.119 10 30 EEEEMP C#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001507389861 1115246891 /nfs/dbraw/zinc/24/68/91/1115246891.db2.gz PPORDAJPJZODNA-PMACEKPBSA-N 2 1 341.499 2.200 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001568410132 1124478938 /nfs/dbraw/zinc/47/89/38/1124478938.db2.gz RLQXNEOBFCZEJA-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001568504160 1124560053 /nfs/dbraw/zinc/56/00/53/1124560053.db2.gz SDCQDTOBQXPCDN-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001568504160 1124560060 /nfs/dbraw/zinc/56/00/60/1124560060.db2.gz SDCQDTOBQXPCDN-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568504160 1124560068 /nfs/dbraw/zinc/56/00/68/1124560068.db2.gz SDCQDTOBQXPCDN-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568504160 1124560070 /nfs/dbraw/zinc/56/00/70/1124560070.db2.gz SDCQDTOBQXPCDN-QGZVFWFLSA-N 2 1 347.890 2.033 10 30 EEEEMP C#CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121127944 463084736 /nfs/dbraw/zinc/08/47/36/463084736.db2.gz XDHBETBAYUPRAN-QGZVFWFLSA-N 2 1 330.472 2.223 10 30 EEEEMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594445176 468591337 /nfs/dbraw/zinc/59/13/37/468591337.db2.gz BCFCDAAWRMKWPH-HOTGVXAUSA-N 2 1 336.867 2.470 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602583716 469372197 /nfs/dbraw/zinc/37/21/97/469372197.db2.gz RVFRMFXVNNFQMM-NEWSRXKRSA-N 2 1 342.487 2.282 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497185 1176843098 /nfs/dbraw/zinc/84/30/98/1176843098.db2.gz NPYUAKMFTIXERY-IEBWSBKVSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001267371160 1178869919 /nfs/dbraw/zinc/86/99/19/1178869919.db2.gz WMIKLHGTPOZUQI-XLIONFOSSA-N 2 1 345.462 2.279 10 30 EEEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134422 1181789000 /nfs/dbraw/zinc/78/90/00/1181789000.db2.gz JDAORAQXKWQHKT-PKOBYXMFSA-N 2 1 329.488 2.174 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268184376 1181973159 /nfs/dbraw/zinc/97/31/59/1181973159.db2.gz ANLNVAWSKOVGKY-YOEHRIQHSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268187211 1181976660 /nfs/dbraw/zinc/97/66/60/1181976660.db2.gz OLJPMXZKMHIYDU-RHSMWYFYSA-N 2 1 334.464 2.143 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268364707 1182336905 /nfs/dbraw/zinc/33/69/05/1182336905.db2.gz ACJBVJNNSWUZAY-FRQCXROJSA-N 2 1 345.462 2.002 10 30 EEEEMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001481820253 1182748131 /nfs/dbraw/zinc/74/81/31/1182748131.db2.gz LFSRYODEKHJJPF-QGZVFWFLSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034151 1183181718 /nfs/dbraw/zinc/18/17/18/1183181718.db2.gz VTOFXRHIJRXQGT-LJQANCHMSA-N 2 1 327.472 2.289 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268795402 1183712420 /nfs/dbraw/zinc/71/24/20/1183712420.db2.gz JBRLTPNTJNPHBZ-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001269552407 1184378195 /nfs/dbraw/zinc/37/81/95/1184378195.db2.gz CGARBXQATXIUBY-RTBURBONSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552407 1184378200 /nfs/dbraw/zinc/37/82/00/1184378200.db2.gz CGARBXQATXIUBY-RTBURBONSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001269552407 1184378205 /nfs/dbraw/zinc/37/82/05/1184378205.db2.gz CGARBXQATXIUBY-RTBURBONSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001269870900 1184683092 /nfs/dbraw/zinc/68/30/92/1184683092.db2.gz FRWRLXIAXVSYAR-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001269870900 1184683096 /nfs/dbraw/zinc/68/30/96/1184683096.db2.gz FRWRLXIAXVSYAR-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346007 1185035059 /nfs/dbraw/zinc/03/50/59/1185035059.db2.gz WGHGAYVBCIWUFH-ZWKOTPCHSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(Br)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001482537423 1186588612 /nfs/dbraw/zinc/58/86/12/1186588612.db2.gz CHLQGHOKDPOXIA-ZIAGYGMSSA-N 2 1 346.313 2.110 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483346836 1190381404 /nfs/dbraw/zinc/38/14/04/1190381404.db2.gz FSZZXMUKBKRWGJ-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483346836 1190381407 /nfs/dbraw/zinc/38/14/07/1190381407.db2.gz FSZZXMUKBKRWGJ-INIZCTEOSA-N 2 1 345.462 2.098 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483469814 1190492060 /nfs/dbraw/zinc/49/20/60/1190492060.db2.gz ZOIZIGDMEYXFGR-KRWDZBQOSA-N 2 1 348.516 2.432 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799020 1191036676 /nfs/dbraw/zinc/03/66/76/1191036676.db2.gz LVSPRDLSFXCKRP-INIZCTEOSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001483809571 1191054659 /nfs/dbraw/zinc/05/46/59/1191054659.db2.gz PCKZBCJCRSHZEY-IXDOHACOSA-N 2 1 325.472 2.308 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185527 /nfs/dbraw/zinc/18/55/27/1191185527.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 1 346.450 2.120 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001484992634 1191609526 /nfs/dbraw/zinc/60/95/26/1191609526.db2.gz KGLAQWPTUZNYCR-QFBILLFUSA-N 2 1 342.487 2.415 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001486250339 1193777109 /nfs/dbraw/zinc/77/71/09/1193777109.db2.gz PRGLPKGJENFXIU-QZTJIDSGSA-N 2 1 327.472 2.139 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520767 1194042110 /nfs/dbraw/zinc/04/21/10/1194042110.db2.gz IRRSHBQKNNRPGM-QZTJIDSGSA-N 2 1 349.519 2.058 10 30 EEEEMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273301264 1197994640 /nfs/dbraw/zinc/99/46/40/1197994640.db2.gz ROBNACBVURLZCE-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001411232994 1198943610 /nfs/dbraw/zinc/94/36/10/1198943610.db2.gz JMYDLMGOHDKXEN-ZDUSSCGKSA-N 2 1 346.313 2.063 10 30 EEEEMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810633761 1199635608 /nfs/dbraw/zinc/63/56/08/1199635608.db2.gz LZKJBZFFUVJCFK-CRAIPNDOSA-N 2 1 326.456 2.476 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274840539 1205181996 /nfs/dbraw/zinc/18/19/96/1205181996.db2.gz ICZNPFXCZWTFFB-ICSRJNTNSA-N 2 1 341.499 2.397 10 30 EEEEMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280593259 1205213204 /nfs/dbraw/zinc/21/32/04/1205213204.db2.gz AECXPRWGUQIOGS-QZTJIDSGSA-N 2 1 339.524 2.258 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001275189801 1205277917 /nfs/dbraw/zinc/27/79/17/1205277917.db2.gz AHJWNKVZWHGYDL-HXUWFJFHSA-N 2 1 345.531 2.446 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146149 1290568503 /nfs/dbraw/zinc/56/85/03/1290568503.db2.gz CZEQYPMXSHWVLG-IAGOWNOFSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001490770628 1291710599 /nfs/dbraw/zinc/71/05/99/1291710599.db2.gz DCQDWHGUVUSKQE-IBGZPJMESA-N 2 1 341.499 2.208 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001491111436 1299600538 /nfs/dbraw/zinc/60/05/38/1299600538.db2.gz OQDDKEPRIGTTDH-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001278519985 1317126937 /nfs/dbraw/zinc/12/69/37/1317126937.db2.gz BCLFHVZXUREFEU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC#Cc1ccccc1 ZINC001278519985 1317126949 /nfs/dbraw/zinc/12/69/49/1317126949.db2.gz BCLFHVZXUREFEU-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001264191849 1322659318 /nfs/dbraw/zinc/65/93/18/1322659318.db2.gz ZURUPCWOVGOWAH-OKILXGFUSA-N 2 1 348.516 2.176 10 30 EEEEMP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001264191849 1322659323 /nfs/dbraw/zinc/65/93/23/1322659323.db2.gz ZURUPCWOVGOWAH-OKILXGFUSA-N 2 1 348.516 2.176 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1Cl ZINC001264996442 1322844281 /nfs/dbraw/zinc/84/42/81/1322844281.db2.gz IKXSGRCPUCNJPH-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1Cl ZINC001264996442 1322844285 /nfs/dbraw/zinc/84/42/85/1322844285.db2.gz IKXSGRCPUCNJPH-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1Cl ZINC001264996442 1322844290 /nfs/dbraw/zinc/84/42/90/1322844290.db2.gz IKXSGRCPUCNJPH-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1Cl ZINC001264996442 1322844296 /nfs/dbraw/zinc/84/42/96/1322844296.db2.gz IKXSGRCPUCNJPH-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824037 1323402811 /nfs/dbraw/zinc/40/28/11/1323402811.db2.gz OTLWTQKKRTXPFU-CVEARBPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001266082061 1323638568 /nfs/dbraw/zinc/63/85/68/1323638568.db2.gz BETCYNRKZMYJFS-OAHLLOKOSA-N 2 1 338.883 2.335 10 30 EEEEMP C=C(Cl)CN(CC)CCCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001266082061 1323638574 /nfs/dbraw/zinc/63/85/74/1323638574.db2.gz BETCYNRKZMYJFS-OAHLLOKOSA-N 2 1 338.883 2.335 10 30 EEEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266083135 1323639924 /nfs/dbraw/zinc/63/99/24/1323639924.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266083135 1323639930 /nfs/dbraw/zinc/63/99/30/1323639930.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266083135 1323639941 /nfs/dbraw/zinc/63/99/41/1323639941.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 2 1 325.472 2.050 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280252450 1324129852 /nfs/dbraw/zinc/12/98/52/1324129852.db2.gz SQEPVOHRVANCTH-AWEZNQCLSA-N 2 1 346.313 2.065 10 30 EEEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001281957021 1325534746 /nfs/dbraw/zinc/53/47/46/1325534746.db2.gz OLXYRERBOZLIBQ-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001281957021 1325534749 /nfs/dbraw/zinc/53/47/49/1325534749.db2.gz OLXYRERBOZLIBQ-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001281957021 1325534761 /nfs/dbraw/zinc/53/47/61/1325534761.db2.gz OLXYRERBOZLIBQ-LJQANCHMSA-N 2 1 329.488 2.270 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC001282991990 1325870701 /nfs/dbraw/zinc/87/07/01/1325870701.db2.gz DJFBZVORJIJDNP-LZQZEXGQSA-N 2 1 330.476 2.477 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001283145346 1325933954 /nfs/dbraw/zinc/93/39/54/1325933954.db2.gz DZFAKEIRYXYDRG-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630379 1326170775 /nfs/dbraw/zinc/17/07/75/1326170775.db2.gz CTNFIMCKYPTPSZ-LPHOPBHVSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630382 1326170975 /nfs/dbraw/zinc/17/09/75/1326170975.db2.gz CTNFIMCKYPTPSZ-VQIMIIECSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC001284323316 1326504312 /nfs/dbraw/zinc/50/43/12/1326504312.db2.gz MBLABOAREBCBOK-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316641371 1327163568 /nfs/dbraw/zinc/16/35/68/1327163568.db2.gz CWNQLZYEOPJOGJ-IPMKNSEASA-N 2 1 347.478 2.437 10 30 EEEEMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001316786721 1331893333 /nfs/dbraw/zinc/89/33/33/1331893333.db2.gz NOWZDTXTGMJHDG-AYOQOUSVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001316786721 1331893336 /nfs/dbraw/zinc/89/33/36/1331893336.db2.gz NOWZDTXTGMJHDG-AYOQOUSVSA-N 2 1 345.462 2.096 10 30 EEEEMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810145 1332416850 /nfs/dbraw/zinc/41/68/50/1332416850.db2.gz YKBZICGTCPZMHV-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317857205 1332433346 /nfs/dbraw/zinc/43/33/46/1332433346.db2.gz PGVZYQXFODFSBK-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857205 1332433350 /nfs/dbraw/zinc/43/33/50/1332433350.db2.gz PGVZYQXFODFSBK-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317857205 1332433353 /nfs/dbraw/zinc/43/33/53/1332433353.db2.gz PGVZYQXFODFSBK-ICSRJNTNSA-N 2 1 341.499 2.483 10 30 EEEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001322756843 1333320765 /nfs/dbraw/zinc/32/07/65/1333320765.db2.gz OKMMEMFWCQNQKT-UHFFFAOYSA-N 2 1 333.823 2.072 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797470 1334523275 /nfs/dbraw/zinc/52/32/75/1334523275.db2.gz NTZBUWMEMNSXBB-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001331920233 1335675873 /nfs/dbraw/zinc/67/58/73/1335675873.db2.gz WMDXZUXFNMKCDC-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023138 1335949593 /nfs/dbraw/zinc/94/95/93/1335949593.db2.gz YFJYKZKHSBVCBR-KGLIPLIRSA-N 2 1 335.414 2.273 10 30 EEEEMP C#CCC[NH+]1CCc2c(CNC(=O)C[N@H+](C)CCC)cccc2C1 ZINC001570079055 1343009731 /nfs/dbraw/zinc/00/97/31/1343009731.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C#CCC[N@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001570079055 1343009735 /nfs/dbraw/zinc/00/97/35/1343009735.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001570079055 1343009738 /nfs/dbraw/zinc/00/97/38/1343009738.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001571284133 1343174244 /nfs/dbraw/zinc/17/42/44/1343174244.db2.gz LRPGTWSRBAVDJH-CYBMUJFWSA-N 2 1 345.472 2.199 10 30 EEEEMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894622 1357236322 /nfs/dbraw/zinc/23/63/22/1357236322.db2.gz QKNLQPJLNXDMNB-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894622 1357236327 /nfs/dbraw/zinc/23/63/27/1357236327.db2.gz QKNLQPJLNXDMNB-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894622 1357236330 /nfs/dbraw/zinc/23/63/30/1357236330.db2.gz QKNLQPJLNXDMNB-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001676894622 1357236333 /nfs/dbraw/zinc/23/63/33/1357236333.db2.gz QKNLQPJLNXDMNB-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCCCC)CC1 ZINC001677574978 1357360923 /nfs/dbraw/zinc/36/09/23/1357360923.db2.gz OUWCOSGDPMYADI-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCCCC)CC1 ZINC001677574978 1357360924 /nfs/dbraw/zinc/36/09/24/1357360924.db2.gz OUWCOSGDPMYADI-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCCCC)CC1 ZINC001677574978 1357360930 /nfs/dbraw/zinc/36/09/30/1357360930.db2.gz OUWCOSGDPMYADI-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCCCC)CC1 ZINC001677574978 1357360936 /nfs/dbraw/zinc/36/09/36/1357360936.db2.gz OUWCOSGDPMYADI-IBGZPJMESA-N 2 1 331.504 2.413 10 30 EEEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001656231751 1354217347 /nfs/dbraw/zinc/21/73/47/1354217347.db2.gz PGUKWVCVSWCADU-WDSOQIARSA-N 2 1 327.472 2.187 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1OCC ZINC001656495215 1354242450 /nfs/dbraw/zinc/24/24/50/1354242450.db2.gz GCNHQKSMNQWLGW-IAGOWNOFSA-N 2 1 348.491 2.036 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001666287172 1355503641 /nfs/dbraw/zinc/50/36/41/1355503641.db2.gz QEZAUGPIRDGZEG-BRWVUGGUSA-N 2 1 330.476 2.437 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001672796414 1356585738 /nfs/dbraw/zinc/58/57/38/1356585738.db2.gz OHKMJUAQBLDMGU-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001672796414 1356585741 /nfs/dbraw/zinc/58/57/41/1356585741.db2.gz OHKMJUAQBLDMGU-YJBOKZPZSA-N 2 1 345.491 2.194 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001690846528 1404940674 /nfs/dbraw/zinc/94/06/74/1404940674.db2.gz JSEMQVNDLXAWQF-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001690846528 1404940681 /nfs/dbraw/zinc/94/06/81/1404940681.db2.gz JSEMQVNDLXAWQF-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001698915107 1405156723 /nfs/dbraw/zinc/15/67/23/1405156723.db2.gz UXMJSSPKIDNRMJ-OAHLLOKOSA-N 2 1 334.464 2.287 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001698993757 1405209088 /nfs/dbraw/zinc/20/90/88/1405209088.db2.gz CAJNHUJJXMCVBR-UHFFFAOYSA-N 2 1 335.879 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001698993757 1405209105 /nfs/dbraw/zinc/20/91/05/1405209105.db2.gz CAJNHUJJXMCVBR-UHFFFAOYSA-N 2 1 335.879 2.033 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747985 779205421 /nfs/dbraw/zinc/20/54/21/779205421.db2.gz TTWARDSZMDRXQY-KRWDZBQOSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144722 789402034 /nfs/dbraw/zinc/40/20/34/789402034.db2.gz CIKSDQAXINZMDC-KRWDZBQOSA-N 2 1 341.503 2.418 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCc2ccccc2)CC1 ZINC001566520316 1125692274 /nfs/dbraw/zinc/69/22/74/1125692274.db2.gz XATOXTLCVAMTNM-UHFFFAOYSA-N 2 1 341.499 2.012 10 30 EEEEMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001436933723 1088606389 /nfs/dbraw/zinc/60/63/89/1088606389.db2.gz YEHLJMJUVLMLHO-YQQQUEKLSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439619495 1092526810 /nfs/dbraw/zinc/52/68/10/1092526810.db2.gz FFVCALGYDKHNTQ-SFHVURJKSA-N 2 1 340.471 2.171 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001440620159 1093888448 /nfs/dbraw/zinc/88/84/48/1093888448.db2.gz KYKYTIPJOUGVGV-GOSISDBHSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796690 1094039378 /nfs/dbraw/zinc/03/93/78/1094039378.db2.gz KZCPZVOOYMYEPA-QWHCGFSZSA-N 2 1 334.489 2.087 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001442263242 1096567439 /nfs/dbraw/zinc/56/74/39/1096567439.db2.gz YJNPDDUHHIICMK-AYOQOUSVSA-N 2 1 342.487 2.273 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328724 1098894279 /nfs/dbraw/zinc/89/42/79/1098894279.db2.gz PIYKCQIJKQIJPM-LPHOPBHVSA-N 2 1 342.487 2.275 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480086748 1099643746 /nfs/dbraw/zinc/64/37/46/1099643746.db2.gz XCLNATMAPWJLHY-GOSISDBHSA-N 2 1 333.520 2.301 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797766 1099712575 /nfs/dbraw/zinc/71/25/75/1099712575.db2.gz WQXPRVXQZBLNMU-QFBILLFUSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001444984738 1100112057 /nfs/dbraw/zinc/11/20/57/1100112057.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 1 342.487 2.179 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001493888158 1103046852 /nfs/dbraw/zinc/04/68/52/1103046852.db2.gz DDPCPZIHPVTCEC-MOPGFXCFSA-N 2 1 327.472 2.330 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001493888158 1103046872 /nfs/dbraw/zinc/04/68/72/1103046872.db2.gz DDPCPZIHPVTCEC-MOPGFXCFSA-N 2 1 327.472 2.330 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180163 1103656351 /nfs/dbraw/zinc/65/63/51/1103656351.db2.gz XXZGXTLJXYMLMT-MJGOQNOKSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494180163 1103656358 /nfs/dbraw/zinc/65/63/58/1103656358.db2.gz XXZGXTLJXYMLMT-MJGOQNOKSA-N 2 1 327.472 2.093 10 30 EEEEMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001501193602 1113236412 /nfs/dbraw/zinc/23/64/12/1113236412.db2.gz JQSQXZGEYWXWGM-VQTJNVASSA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001502471010 1113696856 /nfs/dbraw/zinc/69/68/56/1113696856.db2.gz VTDZMJDNFUTEDG-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001502471010 1113696859 /nfs/dbraw/zinc/69/68/59/1113696859.db2.gz VTDZMJDNFUTEDG-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001507456155 1115280252 /nfs/dbraw/zinc/28/02/52/1115280252.db2.gz GXMAODMZEPXLLG-UONOGXRCSA-N 2 1 335.414 2.131 10 30 EEEEMP C=CCC[NH2+]CC1(NC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1 ZINC001568005448 1124226563 /nfs/dbraw/zinc/22/65/63/1124226563.db2.gz JAUQGPXAERPCSJ-UHFFFAOYSA-N 2 1 346.475 2.479 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001568224669 1124368273 /nfs/dbraw/zinc/36/82/73/1124368273.db2.gz ICKZPMCLPMCPDQ-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568643140 1124655076 /nfs/dbraw/zinc/65/50/76/1124655076.db2.gz XLYCPOQDKMJCEW-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568741889 1124754842 /nfs/dbraw/zinc/75/48/42/1124754842.db2.gz IEROAXXMGFSPKW-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147225 1125128514 /nfs/dbraw/zinc/12/85/14/1125128514.db2.gz UBVJEOXZFKTTPH-VQIMIIECSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147225 1125128521 /nfs/dbraw/zinc/12/85/21/1125128521.db2.gz UBVJEOXZFKTTPH-VQIMIIECSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147223 1125129013 /nfs/dbraw/zinc/12/90/13/1125129013.db2.gz UBVJEOXZFKTTPH-LPHOPBHVSA-N 2 1 347.478 2.200 10 30 EEEEMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569147223 1125129016 /nfs/dbraw/zinc/12/90/16/1125129016.db2.gz UBVJEOXZFKTTPH-LPHOPBHVSA-N 2 1 347.478 2.200 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001569152517 1125131556 /nfs/dbraw/zinc/13/15/56/1125131556.db2.gz CLKXUIGKLGEJOH-KRWDZBQOSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C1CC1 ZINC001569306634 1125221640 /nfs/dbraw/zinc/22/16/40/1125221640.db2.gz RMMVNIMVCUCVEG-ROUUACIJSA-N 2 1 345.512 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C1CC1 ZINC001569306634 1125221644 /nfs/dbraw/zinc/22/16/44/1125221644.db2.gz RMMVNIMVCUCVEG-ROUUACIJSA-N 2 1 345.512 2.139 10 30 EEEEMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000171527355 463876589 /nfs/dbraw/zinc/87/65/89/463876589.db2.gz FMFGOJOXQKJPLY-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516319 464064036 /nfs/dbraw/zinc/06/40/36/464064036.db2.gz CRUNDBZGZJNNSF-NVXWUHKLSA-N 2 1 343.475 2.132 10 30 EEEEMP COc1c[nH+]ccc1N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000361517805 466064376 /nfs/dbraw/zinc/06/43/76/466064376.db2.gz FUHQPCKSCFDWTD-UHFFFAOYSA-N 2 1 338.411 2.163 10 30 EEEEMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001485568935 1191838415 /nfs/dbraw/zinc/83/84/15/1191838415.db2.gz BZHRHABHRVOPRL-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001485568935 1191838417 /nfs/dbraw/zinc/83/84/17/1191838417.db2.gz BZHRHABHRVOPRL-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001485568935 1191838419 /nfs/dbraw/zinc/83/84/19/1191838419.db2.gz BZHRHABHRVOPRL-KRWDZBQOSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001485638998 1191865846 /nfs/dbraw/zinc/86/58/46/1191865846.db2.gz ANZRRWLRLPDRON-DOTOQJQBSA-N 2 1 337.508 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001485813165 1191977211 /nfs/dbraw/zinc/97/72/11/1191977211.db2.gz ICLZCXBHNPWIKL-RBUKOAKNSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001485813165 1191977214 /nfs/dbraw/zinc/97/72/14/1191977214.db2.gz ICLZCXBHNPWIKL-RBUKOAKNSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001691112513 1177602233 /nfs/dbraw/zinc/60/22/33/1177602233.db2.gz HJAJIXXDNTVNFY-SFHVURJKSA-N 2 1 337.483 2.052 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939297 1177853276 /nfs/dbraw/zinc/85/32/76/1177853276.db2.gz FBMJXBLIUBKXPD-IEBWSBKVSA-N 2 1 327.472 2.005 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098827 1179736581 /nfs/dbraw/zinc/73/65/81/1179736581.db2.gz ICMNESBWKDKDES-CABCVRRESA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481098827 1179736586 /nfs/dbraw/zinc/73/65/86/1179736586.db2.gz ICMNESBWKDKDES-CABCVRRESA-N 2 1 334.464 2.143 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791713 1180540738 /nfs/dbraw/zinc/54/07/38/1180540738.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791713 1180540740 /nfs/dbraw/zinc/54/07/40/1180540740.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791713 1180540742 /nfs/dbraw/zinc/54/07/42/1180540742.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001267806540 1180557512 /nfs/dbraw/zinc/55/75/12/1180557512.db2.gz NTKXGDIZBVNQDM-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001267806540 1180557518 /nfs/dbraw/zinc/55/75/18/1180557518.db2.gz NTKXGDIZBVNQDM-PMACEKPBSA-N 2 1 341.499 2.385 10 30 EEEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001267936972 1180789495 /nfs/dbraw/zinc/78/94/95/1180789495.db2.gz WAASLBNZXQSRBC-LPHOPBHVSA-N 2 1 345.487 2.078 10 30 EEEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001267936972 1180789501 /nfs/dbraw/zinc/78/95/01/1180789501.db2.gz WAASLBNZXQSRBC-LPHOPBHVSA-N 2 1 345.487 2.078 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481490801 1181551264 /nfs/dbraw/zinc/55/12/64/1181551264.db2.gz JQFAGKHSOMQACM-QGZVFWFLSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481490801 1181551268 /nfs/dbraw/zinc/55/12/68/1181551268.db2.gz JQFAGKHSOMQACM-QGZVFWFLSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481490801 1181551271 /nfs/dbraw/zinc/55/12/71/1181551271.db2.gz JQFAGKHSOMQACM-QGZVFWFLSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481493345 1181559388 /nfs/dbraw/zinc/55/93/88/1181559388.db2.gz WZDLAIJIZXVRQG-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481493345 1181559397 /nfs/dbraw/zinc/55/93/97/1181559397.db2.gz WZDLAIJIZXVRQG-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481493345 1181559400 /nfs/dbraw/zinc/55/94/00/1181559400.db2.gz WZDLAIJIZXVRQG-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001268068630 1181665667 /nfs/dbraw/zinc/66/56/67/1181665667.db2.gz NDBBMFXWGHXTBB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001268068630 1181665670 /nfs/dbraw/zinc/66/56/70/1181665670.db2.gz NDBBMFXWGHXTBB-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085311 1183314125 /nfs/dbraw/zinc/31/41/25/1183314125.db2.gz OFNRHLNKYMAIMM-YJBOKZPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738818 1183656144 /nfs/dbraw/zinc/65/61/44/1183656144.db2.gz VGCKBDFVPUPNDC-GOSISDBHSA-N 2 1 339.483 2.103 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738818 1183656147 /nfs/dbraw/zinc/65/61/47/1183656147.db2.gz VGCKBDFVPUPNDC-GOSISDBHSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001482296322 1185165420 /nfs/dbraw/zinc/16/54/20/1185165420.db2.gz IRDIHFCRWKDMCU-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001482296322 1185165425 /nfs/dbraw/zinc/16/54/25/1185165425.db2.gz IRDIHFCRWKDMCU-APWZRJJASA-N 2 1 345.462 2.190 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC(=C)C)CC1 ZINC001270886209 1185658339 /nfs/dbraw/zinc/65/83/39/1185658339.db2.gz SZYNOWXSUREDAD-SFHVURJKSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC(=C)C)CC1 ZINC001270886209 1185658343 /nfs/dbraw/zinc/65/83/43/1185658343.db2.gz SZYNOWXSUREDAD-SFHVURJKSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001271593234 1186329529 /nfs/dbraw/zinc/32/95/29/1186329529.db2.gz YCDUEPSXBPEBJG-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001271645052 1186356035 /nfs/dbraw/zinc/35/60/35/1186356035.db2.gz LQDWZYACWBGSHY-SJORKVTESA-N 2 1 333.520 2.489 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001483050393 1188293381 /nfs/dbraw/zinc/29/33/81/1188293381.db2.gz HHJNOTVLRFTZGM-GGVAOPBYSA-N 2 1 339.483 2.030 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483241456 1190271617 /nfs/dbraw/zinc/27/16/17/1190271617.db2.gz YUAQLQXVNGUUTH-MAUKXSAKSA-N 2 1 347.890 2.270 10 30 EEEEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420321 1190465875 /nfs/dbraw/zinc/46/58/75/1190465875.db2.gz HWJHRANXJICPFT-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001483420321 1190465877 /nfs/dbraw/zinc/46/58/77/1190465877.db2.gz HWJHRANXJICPFT-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001483420321 1190465881 /nfs/dbraw/zinc/46/58/81/1190465881.db2.gz HWJHRANXJICPFT-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001483420321 1190465882 /nfs/dbraw/zinc/46/58/82/1190465882.db2.gz HWJHRANXJICPFT-WMLDXEAASA-N 2 1 348.516 2.431 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678440 1190738084 /nfs/dbraw/zinc/73/80/84/1190738084.db2.gz AIJOJNSUEYNFJS-OALUTQOASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678440 1190738086 /nfs/dbraw/zinc/73/80/86/1190738086.db2.gz AIJOJNSUEYNFJS-OALUTQOASA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754842 /nfs/dbraw/zinc/75/48/42/1190754842.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001272676297 1191019191 /nfs/dbraw/zinc/01/91/91/1191019191.db2.gz ZQXFLQCXJPHTHP-LJQANCHMSA-N 2 1 329.488 2.344 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486453406 1193974976 /nfs/dbraw/zinc/97/49/76/1193974976.db2.gz ZKUHWHAMVKBJLF-GJZGRUSLSA-N 2 1 347.425 2.111 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000876728785 1199742890 /nfs/dbraw/zinc/74/28/90/1199742890.db2.gz VMZLSHWGIJUQED-DGCLKSJQSA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000876728785 1199742892 /nfs/dbraw/zinc/74/28/92/1199742892.db2.gz VMZLSHWGIJUQED-DGCLKSJQSA-N 2 1 327.881 2.081 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001275574065 1205423465 /nfs/dbraw/zinc/42/34/65/1205423465.db2.gz NEPHEGYVSRCOJS-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001275574065 1205423466 /nfs/dbraw/zinc/42/34/66/1205423466.db2.gz NEPHEGYVSRCOJS-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001275574065 1205423468 /nfs/dbraw/zinc/42/34/68/1205423468.db2.gz NEPHEGYVSRCOJS-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cccc(Cl)c1 ZINC001275574065 1205423471 /nfs/dbraw/zinc/42/34/71/1205423471.db2.gz NEPHEGYVSRCOJS-QAPCUYQASA-N 2 1 347.890 2.374 10 30 EEEEMP C#CCC1([NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933297051 1207754828 /nfs/dbraw/zinc/75/48/28/1207754828.db2.gz ADLNVTZXZVDGBH-MJGOQNOKSA-N 2 1 339.483 2.301 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985415 1258542558 /nfs/dbraw/zinc/54/25/58/1258542558.db2.gz YTVSDDJZDAFFRP-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080494 1258646074 /nfs/dbraw/zinc/64/60/74/1258646074.db2.gz OMHSIHCZCZLWOL-HSALFYBXSA-N 2 1 339.483 2.149 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001273446544 1278418600 /nfs/dbraw/zinc/41/86/00/1278418600.db2.gz RYYBGERWAGTUCC-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001273446544 1278418604 /nfs/dbraw/zinc/41/86/04/1278418604.db2.gz RYYBGERWAGTUCC-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001273446544 1278418608 /nfs/dbraw/zinc/41/86/08/1278418608.db2.gz RYYBGERWAGTUCC-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP COCC#CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604039 1293580121 /nfs/dbraw/zinc/58/01/21/1293580121.db2.gz RXGSQYQQBGXLMI-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP COCC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604039 1293580126 /nfs/dbraw/zinc/58/01/26/1293580126.db2.gz RXGSQYQQBGXLMI-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP COCC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604039 1293580128 /nfs/dbraw/zinc/58/01/28/1293580128.db2.gz RXGSQYQQBGXLMI-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001276747500 1297286295 /nfs/dbraw/zinc/28/62/95/1297286295.db2.gz GLIXMDDBCWJFBG-OWZKRDHZSA-N 2 1 341.499 2.379 10 30 EEEEMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001276747500 1297286301 /nfs/dbraw/zinc/28/63/01/1297286301.db2.gz GLIXMDDBCWJFBG-OWZKRDHZSA-N 2 1 341.499 2.379 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001276747500 1297286312 /nfs/dbraw/zinc/28/63/12/1297286312.db2.gz GLIXMDDBCWJFBG-OWZKRDHZSA-N 2 1 341.499 2.379 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001276747500 1297286321 /nfs/dbraw/zinc/28/63/21/1297286321.db2.gz GLIXMDDBCWJFBG-OWZKRDHZSA-N 2 1 341.499 2.379 10 30 EEEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001276862572 1299973491 /nfs/dbraw/zinc/97/34/91/1299973491.db2.gz NWAMJRVZVNWVJZ-INIZCTEOSA-N 2 1 325.472 2.167 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001276921841 1300273456 /nfs/dbraw/zinc/27/34/56/1300273456.db2.gz PFBIDKMYLKZBOQ-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163089 1306145355 /nfs/dbraw/zinc/14/53/55/1306145355.db2.gz AXOLDOCWNGBOIV-IEBWSBKVSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001265786558 1323380495 /nfs/dbraw/zinc/38/04/95/1323380495.db2.gz POGNSPCPRLVXOQ-QAPCUYQASA-N 2 1 339.439 2.125 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001265786558 1323380500 /nfs/dbraw/zinc/38/05/00/1323380500.db2.gz POGNSPCPRLVXOQ-QAPCUYQASA-N 2 1 339.439 2.125 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001266152669 1323722655 /nfs/dbraw/zinc/72/26/55/1323722655.db2.gz QHCDZNSTUJTUMG-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001266152669 1323722658 /nfs/dbraw/zinc/72/26/58/1323722658.db2.gz QHCDZNSTUJTUMG-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001280499525 1324259007 /nfs/dbraw/zinc/25/90/07/1324259007.db2.gz HIYPHBBHTUXLFC-IBGZPJMESA-N 2 1 339.483 2.151 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957201 1325535140 /nfs/dbraw/zinc/53/51/40/1325535140.db2.gz PMTNMNIJKJCFNX-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957201 1325535148 /nfs/dbraw/zinc/53/51/48/1325535148.db2.gz PMTNMNIJKJCFNX-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191167 1325646876 /nfs/dbraw/zinc/64/68/76/1325646876.db2.gz GNUFXLIHRKYLLQ-ZWKOTPCHSA-N 2 1 343.515 2.499 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001284731144 1326686732 /nfs/dbraw/zinc/68/67/32/1326686732.db2.gz CVCWPVAHECVHFY-LPHOPBHVSA-N 2 1 327.472 2.139 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966021 1330361691 /nfs/dbraw/zinc/36/16/91/1330361691.db2.gz WZZJEMWBUCWOOI-RTBURBONSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492159979 1331024325 /nfs/dbraw/zinc/02/43/25/1331024325.db2.gz MXOPYACBBQRCDE-INIZCTEOSA-N 2 1 339.443 2.428 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316901061 1331966899 /nfs/dbraw/zinc/96/68/99/1331966899.db2.gz XGYOGMQIVQGVHZ-HXUWFJFHSA-N 2 1 343.515 2.453 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139555 1332096006 /nfs/dbraw/zinc/09/60/06/1332096006.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139555 1332096008 /nfs/dbraw/zinc/09/60/08/1332096008.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139555 1332096010 /nfs/dbraw/zinc/09/60/10/1332096010.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001317218295 1332140892 /nfs/dbraw/zinc/14/08/92/1332140892.db2.gz XAOFXPQAXBALOO-UHFFFAOYSA-N 2 1 334.464 2.333 10 30 EEEEMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810144 1332416373 /nfs/dbraw/zinc/41/63/73/1332416373.db2.gz YKBZICGTCPZMHV-UXHICEINSA-N 2 1 341.499 2.207 10 30 EEEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048374 1332816151 /nfs/dbraw/zinc/81/61/51/1332816151.db2.gz QMIQIOKPAHROIM-DOTOQJQBSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048374 1332816153 /nfs/dbraw/zinc/81/61/53/1332816153.db2.gz QMIQIOKPAHROIM-DOTOQJQBSA-N 2 1 332.492 2.499 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320464928 1332890597 /nfs/dbraw/zinc/89/05/97/1332890597.db2.gz VVOZUUFNBVGJQE-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321712670 1333147505 /nfs/dbraw/zinc/14/75/05/1333147505.db2.gz IXPCXWAMQHJMQV-MRXNPFEDSA-N 2 1 333.451 2.003 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001324742029 1333750901 /nfs/dbraw/zinc/75/09/01/1333750901.db2.gz PPZCLLXNZXYVJS-GGVAOPBYSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001324742029 1333750904 /nfs/dbraw/zinc/75/09/04/1333750904.db2.gz PPZCLLXNZXYVJS-GGVAOPBYSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCC)cc1 ZINC001326466705 1334098861 /nfs/dbraw/zinc/09/88/61/1334098861.db2.gz BYJWMHPAHSHHHZ-LPHOPBHVSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCC)cc1 ZINC001326466705 1334098864 /nfs/dbraw/zinc/09/88/64/1334098864.db2.gz BYJWMHPAHSHHHZ-LPHOPBHVSA-N 2 1 327.472 2.461 10 30 EEEEMP C=CCCC[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338583211 1336879697 /nfs/dbraw/zinc/87/96/97/1336879697.db2.gz RYBXIFHATFGHBR-NXHRZFHOSA-N 2 1 334.508 2.341 10 30 EEEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001569442723 1342870945 /nfs/dbraw/zinc/87/09/45/1342870945.db2.gz GLBJEPCYJZOPIH-XVLXNVKGSA-N 2 1 331.504 2.386 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001571021767 1343153673 /nfs/dbraw/zinc/15/36/73/1343153673.db2.gz JQCLXUDBEJAOOS-GBESFXJTSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001571307479 1343177265 /nfs/dbraw/zinc/17/72/65/1343177265.db2.gz DBCUOWWCRBXSBL-GJZGRUSLSA-N 2 1 348.516 2.336 10 30 EEEEMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001647018592 1353108247 /nfs/dbraw/zinc/10/82/47/1353108247.db2.gz IWFOGQOHKNFYEI-LJQANCHMSA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001647018592 1353108249 /nfs/dbraw/zinc/10/82/49/1353108249.db2.gz IWFOGQOHKNFYEI-LJQANCHMSA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001647018592 1353108253 /nfs/dbraw/zinc/10/82/53/1353108253.db2.gz IWFOGQOHKNFYEI-LJQANCHMSA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001647018592 1353108255 /nfs/dbraw/zinc/10/82/55/1353108255.db2.gz IWFOGQOHKNFYEI-LJQANCHMSA-N 2 1 345.462 2.252 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001656140412 1354207439 /nfs/dbraw/zinc/20/74/39/1354207439.db2.gz SVEQIYZVYBIJSX-HSALFYBXSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001663461118 1354964737 /nfs/dbraw/zinc/96/47/37/1354964737.db2.gz HRZAOOKRDRCUML-YZGWKJHDSA-N 2 1 345.531 2.206 10 30 EEEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001666291019 1355503899 /nfs/dbraw/zinc/50/38/99/1355503899.db2.gz MASQTNXDDREYLM-LNLFQRSKSA-N 2 1 331.504 2.434 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001667144783 1355657615 /nfs/dbraw/zinc/65/76/15/1355657615.db2.gz SMRQFOYVHNPEGT-KRWDZBQOSA-N 2 1 330.476 2.294 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001671684263 1356393069 /nfs/dbraw/zinc/39/30/69/1356393069.db2.gz MJUNZIBOEHKSIV-FQEVSTJZSA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001671684263 1356393074 /nfs/dbraw/zinc/39/30/74/1356393074.db2.gz MJUNZIBOEHKSIV-FQEVSTJZSA-N 2 1 342.487 2.371 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001672368807 1356510537 /nfs/dbraw/zinc/51/05/37/1356510537.db2.gz IWFCTYCKGVTJTG-FHWLQOOXSA-N 2 1 333.520 2.396 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543403 1356551923 /nfs/dbraw/zinc/55/19/23/1356551923.db2.gz IPGXBRQAHSGQJY-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCCC)CC1(C)C ZINC001674022819 1356776549 /nfs/dbraw/zinc/77/65/49/1356776549.db2.gz GVRJACBAHKIFHG-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCCC)CC1(C)C ZINC001674022819 1356776553 /nfs/dbraw/zinc/77/65/53/1356776553.db2.gz GVRJACBAHKIFHG-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCC)CC1(C)C ZINC001674022819 1356776556 /nfs/dbraw/zinc/77/65/56/1356776556.db2.gz GVRJACBAHKIFHG-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCC)CC1(C)C ZINC001674022819 1356776559 /nfs/dbraw/zinc/77/65/59/1356776559.db2.gz GVRJACBAHKIFHG-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001674271598 1356810309 /nfs/dbraw/zinc/81/03/09/1356810309.db2.gz LGMZTKDFRVHNLN-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001674271598 1356810310 /nfs/dbraw/zinc/81/03/10/1356810310.db2.gz LGMZTKDFRVHNLN-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001674271598 1356810311 /nfs/dbraw/zinc/81/03/11/1356810311.db2.gz LGMZTKDFRVHNLN-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001674271598 1356810313 /nfs/dbraw/zinc/81/03/13/1356810313.db2.gz LGMZTKDFRVHNLN-HXUWFJFHSA-N 2 1 341.499 2.457 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1C ZINC001675915746 1357068556 /nfs/dbraw/zinc/06/85/56/1357068556.db2.gz PHZJZBKUARGIEW-ICSRJNTNSA-N 2 1 341.499 2.467 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1C ZINC001675915746 1357068559 /nfs/dbraw/zinc/06/85/59/1357068559.db2.gz PHZJZBKUARGIEW-ICSRJNTNSA-N 2 1 341.499 2.467 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033096 779746744 /nfs/dbraw/zinc/74/67/44/779746744.db2.gz MDWBEQPVYDPSPP-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033096 779746749 /nfs/dbraw/zinc/74/67/49/779746749.db2.gz MDWBEQPVYDPSPP-WBVHZDCISA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157414 779998683 /nfs/dbraw/zinc/99/86/83/779998683.db2.gz BZFWIJZOZWVPEZ-LJQANCHMSA-N 2 1 345.531 2.348 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)CC2(C)C)CC1 ZINC000941239627 780230406 /nfs/dbraw/zinc/23/04/06/780230406.db2.gz QUUYTNRCQSTIBI-GOSISDBHSA-N 2 1 333.520 2.348 10 30 EEEEMP COCC[N@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508182 788215024 /nfs/dbraw/zinc/21/50/24/788215024.db2.gz IXMYJWXHIWXWKD-OAHLLOKOSA-N 2 1 344.569 2.184 10 30 EEEEMP C#CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000914099312 794871758 /nfs/dbraw/zinc/87/17/58/794871758.db2.gz YYABTRZNAFNDOI-KRWDZBQOSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001566116103 1125565606 /nfs/dbraw/zinc/56/56/06/1125565606.db2.gz XQPBZEWJTIULPR-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001436846769 1088486330 /nfs/dbraw/zinc/48/63/30/1088486330.db2.gz VSSFUTRQLDLHJX-HNNXBMFYSA-N 2 1 348.516 2.242 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753870 1091314613 /nfs/dbraw/zinc/31/46/13/1091314613.db2.gz NNWVOMQUHWXGBK-CVEARBPZSA-N 2 1 327.900 2.488 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001440825019 1094077352 /nfs/dbraw/zinc/07/73/52/1094077352.db2.gz BOXZLXMSUGUNCY-STQMWFEESA-N 2 1 333.823 2.116 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001479494689 1098564071 /nfs/dbraw/zinc/56/40/71/1098564071.db2.gz KTHRJMZSCQREEB-RBUKOAKNSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640415 /nfs/dbraw/zinc/64/04/15/1098640415.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640422 /nfs/dbraw/zinc/64/04/22/1098640422.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640425 /nfs/dbraw/zinc/64/04/25/1098640425.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 2 1 331.504 2.099 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001495389103 1101108667 /nfs/dbraw/zinc/10/86/67/1101108667.db2.gz BVBXYWDWJZNXLZ-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497831833 1103164204 /nfs/dbraw/zinc/16/42/04/1103164204.db2.gz VXFBWDZCPQRUOR-IEBWSBKVSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001494018343 1103356665 /nfs/dbraw/zinc/35/66/65/1103356665.db2.gz LPCHAFVEKHRGAP-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494018343 1103356683 /nfs/dbraw/zinc/35/66/83/1103356683.db2.gz LPCHAFVEKHRGAP-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494018343 1103356695 /nfs/dbraw/zinc/35/66/95/1103356695.db2.gz LPCHAFVEKHRGAP-JKSUJKDBSA-N 2 1 327.900 2.442 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494161442 1103624339 /nfs/dbraw/zinc/62/43/39/1103624339.db2.gz UXJHLGVYPXGOFD-GOSISDBHSA-N 2 1 329.488 2.371 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001494792131 1104373928 /nfs/dbraw/zinc/37/39/28/1104373928.db2.gz IIVQGDOTCDGSKS-PKOBYXMFSA-N 2 1 333.520 2.204 10 30 EEEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480730110 1106991385 /nfs/dbraw/zinc/99/13/85/1106991385.db2.gz KWYVOVYGMRMHMK-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001480735586 1107007324 /nfs/dbraw/zinc/00/73/24/1107007324.db2.gz VWANUSSCJAKENO-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001493576659 1108344555 /nfs/dbraw/zinc/34/45/55/1108344555.db2.gz DDWVLFAHMIIUDW-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001493576659 1108344565 /nfs/dbraw/zinc/34/45/65/1108344565.db2.gz DDWVLFAHMIIUDW-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001500042507 1112589972 /nfs/dbraw/zinc/58/99/72/1112589972.db2.gz ZWDLLNHKZZYTJV-UHFFFAOYSA-N 2 1 328.460 2.084 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052131 1112594520 /nfs/dbraw/zinc/59/45/20/1112594520.db2.gz SJRDTGORCSINMT-PKOBYXMFSA-N 2 1 349.494 2.289 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001502471012 1113697420 /nfs/dbraw/zinc/69/74/20/1113697420.db2.gz VTDZMJDNFUTEDG-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001502471012 1113697423 /nfs/dbraw/zinc/69/74/23/1113697423.db2.gz VTDZMJDNFUTEDG-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503001735 1113869594 /nfs/dbraw/zinc/86/95/94/1113869594.db2.gz IZWHDYQUGXYKRG-IRXDYDNUSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001568108065 1124306627 /nfs/dbraw/zinc/30/66/27/1124306627.db2.gz YKAFHKFMCXSNJE-SHTZXODSSA-N 2 1 334.464 2.333 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568176834 1124341090 /nfs/dbraw/zinc/34/10/90/1124341090.db2.gz LARRTKFESSHCJG-XLIONFOSSA-N 2 1 341.499 2.243 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568176834 1124341093 /nfs/dbraw/zinc/34/10/93/1124341093.db2.gz LARRTKFESSHCJG-XLIONFOSSA-N 2 1 341.499 2.243 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001569145001 1125125599 /nfs/dbraw/zinc/12/55/99/1125125599.db2.gz APANXKVGZQDGIZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001569145001 1125125603 /nfs/dbraw/zinc/12/56/03/1125125603.db2.gz APANXKVGZQDGIZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001569145001 1125125608 /nfs/dbraw/zinc/12/56/08/1125125608.db2.gz APANXKVGZQDGIZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001569145001 1125125609 /nfs/dbraw/zinc/12/56/09/1125125609.db2.gz APANXKVGZQDGIZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001565885036 1125448888 /nfs/dbraw/zinc/44/88/88/1125448888.db2.gz KLLGLLKPLHFKKB-ZCNNSNEGSA-N 2 1 341.499 2.180 10 30 EEEEMP COc1ccc(C#N)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000159936790 533267810 /nfs/dbraw/zinc/26/78/10/533267810.db2.gz DNRXGMLYOYUUHO-OAHLLOKOSA-N 2 1 331.460 2.091 10 30 EEEEMP N#CCc1cccc2c1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000600749627 468647567 /nfs/dbraw/zinc/64/75/67/468647567.db2.gz IGYSZUVJHCXROD-SFTDATJTSA-N 2 1 335.451 2.042 10 30 EEEEMP N#CCc1cccc2c1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000600749627 468647572 /nfs/dbraw/zinc/64/75/72/468647572.db2.gz IGYSZUVJHCXROD-SFTDATJTSA-N 2 1 335.451 2.042 10 30 EEEEMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972851 469073086 /nfs/dbraw/zinc/07/30/86/469073086.db2.gz PWCSLABWWOIFDR-ZWKOTPCHSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972851 469073094 /nfs/dbraw/zinc/07/30/94/469073094.db2.gz PWCSLABWWOIFDR-ZWKOTPCHSA-N 2 1 340.471 2.122 10 30 EEEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1 ZINC000562989824 469125402 /nfs/dbraw/zinc/12/54/02/469125402.db2.gz SYVGBKSTQVSJGK-HNAYVOBHSA-N 2 1 341.459 2.038 10 30 EEEEMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000086897845 526366735 /nfs/dbraw/zinc/36/67/35/526366735.db2.gz YLWIMFPBMYAZOT-OAHLLOKOSA-N 2 1 349.548 2.484 10 30 EEEEMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947564 682552547 /nfs/dbraw/zinc/55/25/47/682552547.db2.gz GJLYPBGEXTXLHX-KBXCAEBGSA-N 2 1 344.507 2.146 10 30 EEEEMP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871811 /nfs/dbraw/zinc/87/18/11/1191871811.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871813 /nfs/dbraw/zinc/87/18/13/1191871813.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871816 /nfs/dbraw/zinc/87/18/16/1191871816.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 2 1 339.911 2.440 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001772517164 1176585534 /nfs/dbraw/zinc/58/55/34/1176585534.db2.gz KIPIUNQEUPYMOT-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001772517164 1176585540 /nfs/dbraw/zinc/58/55/40/1176585540.db2.gz KIPIUNQEUPYMOT-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891385 1177725334 /nfs/dbraw/zinc/72/53/34/1177725334.db2.gz OWWUOUWPVYHQOV-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001267114146 1178274323 /nfs/dbraw/zinc/27/43/23/1178274323.db2.gz BUPVKOYIYHZBFE-SJLPKXTDSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001691786844 1178565045 /nfs/dbraw/zinc/56/50/45/1178565045.db2.gz AAKZMVBPSTYWNF-ROUUACIJSA-N 2 1 330.476 2.416 10 30 EEEEMP C#CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001691786844 1178565051 /nfs/dbraw/zinc/56/50/51/1178565051.db2.gz AAKZMVBPSTYWNF-ROUUACIJSA-N 2 1 330.476 2.416 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001267584848 1179544578 /nfs/dbraw/zinc/54/45/78/1179544578.db2.gz JSYBUNCQWGLSNW-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001267584848 1179544581 /nfs/dbraw/zinc/54/45/81/1179544581.db2.gz JSYBUNCQWGLSNW-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001267584848 1179544583 /nfs/dbraw/zinc/54/45/83/1179544583.db2.gz JSYBUNCQWGLSNW-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001267584848 1179544586 /nfs/dbraw/zinc/54/45/86/1179544586.db2.gz JSYBUNCQWGLSNW-UXHICEINSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374740 1181155169 /nfs/dbraw/zinc/15/51/69/1181155169.db2.gz XRKAIKBPFBJMCV-RBUKOAKNSA-N 2 1 327.472 2.187 10 30 EEEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134419 1181789123 /nfs/dbraw/zinc/78/91/23/1181789123.db2.gz JDAORAQXKWQHKT-HKUYNNGSSA-N 2 1 329.488 2.174 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268629946 1183554440 /nfs/dbraw/zinc/55/44/40/1183554440.db2.gz BDXOPANWKHXBFU-BDUNBXCCSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001269621709 1184446477 /nfs/dbraw/zinc/44/64/77/1184446477.db2.gz MLVXFZKNHIBBIB-SFHVURJKSA-N 2 1 337.483 2.003 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001269633201 1184457881 /nfs/dbraw/zinc/45/78/81/1184457881.db2.gz VACSDBJQVDDVCM-UHFFFAOYSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269632742 1184458153 /nfs/dbraw/zinc/45/81/53/1184458153.db2.gz LWQBINHMXRWBJR-UHFFFAOYSA-N 2 1 331.504 2.055 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001280096030 1184702642 /nfs/dbraw/zinc/70/26/42/1184702642.db2.gz SOMYUEQGSGWVJW-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001270434596 1185096825 /nfs/dbraw/zinc/09/68/25/1185096825.db2.gz ZEYNCKAUWUXSIO-IEBWSBKVSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@H]2C1 ZINC001271893022 1186587505 /nfs/dbraw/zinc/58/75/05/1186587505.db2.gz ZRCFKMKCJASHHE-HSALFYBXSA-N 2 1 339.483 2.093 10 30 EEEEMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001271893022 1186587511 /nfs/dbraw/zinc/58/75/11/1186587511.db2.gz ZRCFKMKCJASHHE-HSALFYBXSA-N 2 1 339.483 2.093 10 30 EEEEMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001271893022 1186587517 /nfs/dbraw/zinc/58/75/17/1186587517.db2.gz ZRCFKMKCJASHHE-HSALFYBXSA-N 2 1 339.483 2.093 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482842102 1187761831 /nfs/dbraw/zinc/76/18/31/1187761831.db2.gz UXWZTULEPSYDAH-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482888366 1187814754 /nfs/dbraw/zinc/81/47/54/1187814754.db2.gz JKZFCZCQAGNQDT-HOCLYGCPSA-N 2 1 346.450 2.024 10 30 EEEEMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855712 1193617634 /nfs/dbraw/zinc/61/76/34/1193617634.db2.gz MOFOKBOPTAYQLR-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC001486089240 1193678192 /nfs/dbraw/zinc/67/81/92/1193678192.db2.gz PGYAPRULYHARAG-ZBFHGGJFSA-N 2 1 332.448 2.039 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001272456500 1190831422 /nfs/dbraw/zinc/83/14/22/1190831422.db2.gz GILTZBBOOPFYFL-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484987614 1191603803 /nfs/dbraw/zinc/60/38/03/1191603803.db2.gz DEAPVXXWSJWLOI-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485003555 1191610541 /nfs/dbraw/zinc/61/05/41/1191610541.db2.gz CIACKGKGWZTTRN-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485003555 1191610542 /nfs/dbraw/zinc/61/05/42/1191610542.db2.gz CIACKGKGWZTTRN-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485003555 1191610543 /nfs/dbraw/zinc/61/05/43/1191610543.db2.gz CIACKGKGWZTTRN-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001485003555 1191610545 /nfs/dbraw/zinc/61/05/45/1191610545.db2.gz CIACKGKGWZTTRN-FQEVSTJZSA-N 2 1 339.483 2.210 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273018788 1194324967 /nfs/dbraw/zinc/32/49/67/1194324967.db2.gz OSBGXQBEWLUUAA-HUUCEWRRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180484 1198405141 /nfs/dbraw/zinc/40/51/41/1198405141.db2.gz DVILDYUTCMYQRP-UONOGXRCSA-N 2 1 335.414 2.273 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967732 1199832620 /nfs/dbraw/zinc/83/26/20/1199832620.db2.gz MCPFGLJSDLQSOX-IAGOWNOFSA-N 2 1 335.879 2.232 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274106046 1204373045 /nfs/dbraw/zinc/37/30/45/1204373045.db2.gz UWWDWELLIVNJBV-AXMVSILFSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001274960615 1205217685 /nfs/dbraw/zinc/21/76/85/1205217685.db2.gz RDUFPGWNSUTELX-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001274960615 1205217688 /nfs/dbraw/zinc/21/76/88/1205217688.db2.gz RDUFPGWNSUTELX-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001274960615 1205217690 /nfs/dbraw/zinc/21/76/90/1205217690.db2.gz RDUFPGWNSUTELX-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571895 1205422464 /nfs/dbraw/zinc/42/24/64/1205422464.db2.gz RYDJEMMMGMQERS-JKSUJKDBSA-N 2 1 333.451 2.000 10 30 EEEEMP C#CCC1([NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933297052 1207755202 /nfs/dbraw/zinc/75/52/02/1207755202.db2.gz ADLNVTZXZVDGBH-PKOBYXMFSA-N 2 1 339.483 2.301 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489339699 1290524290 /nfs/dbraw/zinc/52/42/90/1290524290.db2.gz URQSYGJMLCXNPR-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001489339699 1290524298 /nfs/dbraw/zinc/52/42/98/1290524298.db2.gz URQSYGJMLCXNPR-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001489339699 1290524307 /nfs/dbraw/zinc/52/43/07/1290524307.db2.gz URQSYGJMLCXNPR-LPHOPBHVSA-N 2 1 337.483 2.145 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001276791946 1297753634 /nfs/dbraw/zinc/75/36/34/1297753634.db2.gz YVAIQUNLASNWEM-SJLPKXTDSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001278607062 1317346880 /nfs/dbraw/zinc/34/68/80/1317346880.db2.gz BZGDQONNOMCVCG-INIZCTEOSA-N 2 1 330.476 2.248 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC001156672872 1318155691 /nfs/dbraw/zinc/15/56/91/1318155691.db2.gz ZZTCUALHGUTTRS-QGZVFWFLSA-N 2 1 329.488 2.400 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001156672872 1318155700 /nfs/dbraw/zinc/15/57/00/1318155700.db2.gz ZZTCUALHGUTTRS-QGZVFWFLSA-N 2 1 329.488 2.400 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001156672872 1318155706 /nfs/dbraw/zinc/15/57/06/1318155706.db2.gz ZZTCUALHGUTTRS-QGZVFWFLSA-N 2 1 329.488 2.400 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755595 1322811166 /nfs/dbraw/zinc/81/11/66/1322811166.db2.gz WAMAZHHAPAMSCD-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001282310805 1325685584 /nfs/dbraw/zinc/68/55/84/1325685584.db2.gz SZDRXJWVOOSBQQ-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001491834644 1330268431 /nfs/dbraw/zinc/26/84/31/1330268431.db2.gz KUFGEQGULBNJJF-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C\CC)CC1 ZINC001317514108 1332276107 /nfs/dbraw/zinc/27/61/07/1332276107.db2.gz UCMSHMFOBPZYBU-SFFCAUCYSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317789765 1332410168 /nfs/dbraw/zinc/41/01/68/1332410168.db2.gz QPNKCNRIKBVZNQ-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317789765 1332410169 /nfs/dbraw/zinc/41/01/69/1332410169.db2.gz QPNKCNRIKBVZNQ-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001317789765 1332410170 /nfs/dbraw/zinc/41/01/70/1332410170.db2.gz QPNKCNRIKBVZNQ-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001317789765 1332410171 /nfs/dbraw/zinc/41/01/71/1332410171.db2.gz QPNKCNRIKBVZNQ-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001320444980 1332884906 /nfs/dbraw/zinc/88/49/06/1332884906.db2.gz DJBCIWBERRMCJE-AWEZNQCLSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CC)cc1 ZINC001320451615 1332887002 /nfs/dbraw/zinc/88/70/02/1332887002.db2.gz YLCUKUZEJMNDAE-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CC)cc1 ZINC001320451615 1332887007 /nfs/dbraw/zinc/88/70/07/1332887007.db2.gz YLCUKUZEJMNDAE-XLIONFOSSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001321876227 1333172275 /nfs/dbraw/zinc/17/22/75/1333172275.db2.gz RHLICZSMLDJTGG-JYJNAYRXSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001321876227 1333172279 /nfs/dbraw/zinc/17/22/79/1333172279.db2.gz RHLICZSMLDJTGG-JYJNAYRXSA-N 2 1 341.446 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C/C=C\Cl)CC1 ZINC001324867262 1333777128 /nfs/dbraw/zinc/77/71/28/1333777128.db2.gz AFMWSKCCQGARFU-GEZBDVBVSA-N 2 1 337.895 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C/C=C\Cl)CC1 ZINC001324867262 1333777133 /nfs/dbraw/zinc/77/71/33/1333777133.db2.gz AFMWSKCCQGARFU-GEZBDVBVSA-N 2 1 337.895 2.055 10 30 EEEEMP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCOCC1 ZINC001325026112 1333814113 /nfs/dbraw/zinc/81/41/13/1333814113.db2.gz NCIHBKBXFJATER-SFHVURJKSA-N 2 1 345.487 2.120 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001325631986 1333928657 /nfs/dbraw/zinc/92/86/57/1333928657.db2.gz JDEHPEVDJUVPTG-AKHDSKFASA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001325631986 1333928659 /nfs/dbraw/zinc/92/86/59/1333928659.db2.gz JDEHPEVDJUVPTG-AKHDSKFASA-N 2 1 331.504 2.243 10 30 EEEEMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001325631986 1333928661 /nfs/dbraw/zinc/92/86/61/1333928661.db2.gz JDEHPEVDJUVPTG-AKHDSKFASA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001325707941 1333944690 /nfs/dbraw/zinc/94/46/90/1333944690.db2.gz HMZIAIQRVYOXKD-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001325895520 1333986490 /nfs/dbraw/zinc/98/64/90/1333986490.db2.gz APSLOFJDRLGUGJ-OTWHNJEPSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325895520 1333986494 /nfs/dbraw/zinc/98/64/94/1333986494.db2.gz APSLOFJDRLGUGJ-OTWHNJEPSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCCCF ZINC001325895520 1333986496 /nfs/dbraw/zinc/98/64/96/1333986496.db2.gz APSLOFJDRLGUGJ-OTWHNJEPSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCCCF ZINC001325895520 1333986498 /nfs/dbraw/zinc/98/64/98/1333986498.db2.gz APSLOFJDRLGUGJ-OTWHNJEPSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001330609422 1334876929 /nfs/dbraw/zinc/87/69/29/1334876929.db2.gz CPKLDLYGOFCVDH-BZSNNMDCSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001330609422 1334876933 /nfs/dbraw/zinc/87/69/33/1334876933.db2.gz CPKLDLYGOFCVDH-BZSNNMDCSA-N 2 1 333.520 2.395 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331282695 1334990659 /nfs/dbraw/zinc/99/06/59/1334990659.db2.gz OYMPBCXVKILMHP-AZUAARDMSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566905159 1342649715 /nfs/dbraw/zinc/64/97/15/1342649715.db2.gz NQGCXTIFFQKWKT-VQIMIIECSA-N 2 1 337.483 2.050 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254539 1354219519 /nfs/dbraw/zinc/21/95/19/1354219519.db2.gz WAKUNNIMTWXNIQ-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001659328944 1354378947 /nfs/dbraw/zinc/37/89/47/1354378947.db2.gz QUBZKOIDDBIHNH-INIZCTEOSA-N 2 1 335.492 2.463 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001659328944 1354378951 /nfs/dbraw/zinc/37/89/51/1354378951.db2.gz QUBZKOIDDBIHNH-INIZCTEOSA-N 2 1 335.492 2.463 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001660464058 1354468827 /nfs/dbraw/zinc/46/88/27/1354468827.db2.gz JFCYSQWUOSZSGC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663317176 1354947421 /nfs/dbraw/zinc/94/74/21/1354947421.db2.gz BLGBNWBHYGZFRJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663317176 1354947425 /nfs/dbraw/zinc/94/74/25/1354947425.db2.gz BLGBNWBHYGZFRJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663317176 1354947429 /nfs/dbraw/zinc/94/74/29/1354947429.db2.gz BLGBNWBHYGZFRJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663317176 1354947432 /nfs/dbraw/zinc/94/74/32/1354947432.db2.gz BLGBNWBHYGZFRJ-QGZVFWFLSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC001666333232 1355510742 /nfs/dbraw/zinc/51/07/42/1355510742.db2.gz KBLQLOWAYJSEMY-FQEVSTJZSA-N 2 1 339.483 2.456 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC001666333232 1355510747 /nfs/dbraw/zinc/51/07/47/1355510747.db2.gz KBLQLOWAYJSEMY-FQEVSTJZSA-N 2 1 339.483 2.456 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420791 1355738436 /nfs/dbraw/zinc/73/84/36/1355738436.db2.gz DFZIQCNERKJVHY-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001667420791 1355738437 /nfs/dbraw/zinc/73/84/37/1355738437.db2.gz DFZIQCNERKJVHY-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001667420791 1355738443 /nfs/dbraw/zinc/73/84/43/1355738443.db2.gz DFZIQCNERKJVHY-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916303 1356438352 /nfs/dbraw/zinc/43/83/52/1356438352.db2.gz IUDWPJAZMGNLIN-NRFANRHFSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001671916303 1356438353 /nfs/dbraw/zinc/43/83/53/1356438353.db2.gz IUDWPJAZMGNLIN-NRFANRHFSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001671916303 1356438358 /nfs/dbraw/zinc/43/83/58/1356438358.db2.gz IUDWPJAZMGNLIN-NRFANRHFSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001671916303 1356438363 /nfs/dbraw/zinc/43/83/63/1356438363.db2.gz IUDWPJAZMGNLIN-NRFANRHFSA-N 2 1 341.499 2.360 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968339 1356445919 /nfs/dbraw/zinc/44/59/19/1356445919.db2.gz KJGZAGIPCJXITJ-CABCVRRESA-N 2 1 331.451 2.366 10 30 EEEEMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001672562873 1356555718 /nfs/dbraw/zinc/55/57/18/1356555718.db2.gz LAUVLBSUJWKEFZ-VQTJNVASSA-N 2 1 341.499 2.270 10 30 EEEEMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001672562873 1356555722 /nfs/dbraw/zinc/55/57/22/1356555722.db2.gz LAUVLBSUJWKEFZ-VQTJNVASSA-N 2 1 341.499 2.270 10 30 EEEEMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001672562873 1356555725 /nfs/dbraw/zinc/55/57/25/1356555725.db2.gz LAUVLBSUJWKEFZ-VQTJNVASSA-N 2 1 341.499 2.270 10 30 EEEEMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001672562873 1356555729 /nfs/dbraw/zinc/55/57/29/1356555729.db2.gz LAUVLBSUJWKEFZ-VQTJNVASSA-N 2 1 341.499 2.270 10 30 EEEEMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001673655779 1356728921 /nfs/dbraw/zinc/72/89/21/1356728921.db2.gz VPDWDAHOMHDIKZ-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001673655779 1356728927 /nfs/dbraw/zinc/72/89/27/1356728927.db2.gz VPDWDAHOMHDIKZ-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001673655779 1356728931 /nfs/dbraw/zinc/72/89/31/1356728931.db2.gz VPDWDAHOMHDIKZ-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001673655779 1356728934 /nfs/dbraw/zinc/72/89/34/1356728934.db2.gz VPDWDAHOMHDIKZ-NRFANRHFSA-N 2 1 339.483 2.066 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001675615331 1357016231 /nfs/dbraw/zinc/01/62/31/1357016231.db2.gz ULHOFUCRVUEKDX-IRXDYDNUSA-N 2 1 348.491 2.178 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017456 1405232646 /nfs/dbraw/zinc/23/26/46/1405232646.db2.gz BNTUGMHFPVZOEU-ZBFHGGJFSA-N 2 1 334.464 2.191 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445759 /nfs/dbraw/zinc/44/57/59/779445759.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445762 /nfs/dbraw/zinc/44/57/62/779445762.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445766 /nfs/dbraw/zinc/44/57/66/779445766.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027201 779737633 /nfs/dbraw/zinc/73/76/33/779737633.db2.gz BOFFSZRZRYHSAI-LJQANCHMSA-N 2 1 341.499 2.254 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139108 779950087 /nfs/dbraw/zinc/95/00/87/779950087.db2.gz QAHXOOXDJKVSHK-SFHVURJKSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000923404178 789505596 /nfs/dbraw/zinc/50/55/96/789505596.db2.gz WQMUSHZHXCZOPF-IBGZPJMESA-N 2 1 346.519 2.132 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001565995449 1125492018 /nfs/dbraw/zinc/49/20/18/1125492018.db2.gz RRUXROKMLXNJDR-YZGWKJHDSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001566028845 1125505737 /nfs/dbraw/zinc/50/57/37/1125505737.db2.gz HSQBCYKEXNMEBT-OTWHNJEPSA-N 2 1 333.520 2.489 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001449023957 1094030376 /nfs/dbraw/zinc/03/03/76/1094030376.db2.gz AVXOIXMXWBOYKZ-HRCADAONSA-N 2 1 327.900 2.297 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249561 1096552038 /nfs/dbraw/zinc/55/20/38/1096552038.db2.gz FMURNGABKLBDEI-APWZRJJASA-N 2 1 342.487 2.415 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001479979825 1099433541 /nfs/dbraw/zinc/43/35/41/1099433541.db2.gz AXZBYIWMGNTYMR-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001495682328 1101430165 /nfs/dbraw/zinc/43/01/65/1101430165.db2.gz KCRQJNNFSGJMSA-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001495682328 1101430168 /nfs/dbraw/zinc/43/01/68/1101430168.db2.gz KCRQJNNFSGJMSA-BEFAXECRSA-N 2 1 345.462 2.074 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1c(C)cccc1C ZINC001497598646 1102726356 /nfs/dbraw/zinc/72/63/56/1102726356.db2.gz CKHHYTCBRAITDV-XJDXJNMNSA-N 2 1 339.483 2.163 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1c(C)cccc1C ZINC001497598646 1102726365 /nfs/dbraw/zinc/72/63/65/1102726365.db2.gz CKHHYTCBRAITDV-XJDXJNMNSA-N 2 1 339.483 2.163 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001493807190 1108687062 /nfs/dbraw/zinc/68/70/62/1108687062.db2.gz XFRSLVUNWFALAL-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001493857974 1108743929 /nfs/dbraw/zinc/74/39/29/1108743929.db2.gz LRKULWKQQKTXKF-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001493857974 1108743936 /nfs/dbraw/zinc/74/39/36/1108743936.db2.gz LRKULWKQQKTXKF-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001493857974 1108743942 /nfs/dbraw/zinc/74/39/42/1108743942.db2.gz LRKULWKQQKTXKF-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001499352154 1112246423 /nfs/dbraw/zinc/24/64/23/1112246423.db2.gz KZLGNWSBLVFIEU-INIZCTEOSA-N 2 1 331.863 2.190 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCC)CC2 ZINC001501737620 1113456449 /nfs/dbraw/zinc/45/64/49/1113456449.db2.gz VLAHGAVHVPIYDS-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCC)CC2 ZINC001501737620 1113456450 /nfs/dbraw/zinc/45/64/50/1113456450.db2.gz VLAHGAVHVPIYDS-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141038 1113613853 /nfs/dbraw/zinc/61/38/53/1113613853.db2.gz SRKXYDSAPABQAA-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001502141038 1113613854 /nfs/dbraw/zinc/61/38/54/1113613854.db2.gz SRKXYDSAPABQAA-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001505408669 1113943773 /nfs/dbraw/zinc/94/37/73/1113943773.db2.gz JBBRHDYDDKQHLR-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001506903555 1114962286 /nfs/dbraw/zinc/96/22/86/1114962286.db2.gz NWIIANYZXJNNIV-PPUGGXLSSA-N 2 1 346.450 2.024 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001568061014 1124266115 /nfs/dbraw/zinc/26/61/15/1124266115.db2.gz YIELKOHWYVIYTJ-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001568061014 1124266121 /nfs/dbraw/zinc/26/61/21/1124266121.db2.gz YIELKOHWYVIYTJ-OALUTQOASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001568437612 1124506588 /nfs/dbraw/zinc/50/65/88/1124506588.db2.gz BLOIVPHZLOMSNZ-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001565883553 1125448686 /nfs/dbraw/zinc/44/86/86/1125448686.db2.gz QCKCMYINKWRGMZ-RBUKOAKNSA-N 2 1 329.488 2.489 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000174876464 464463256 /nfs/dbraw/zinc/46/32/56/464463256.db2.gz WWPBXFMSCGBVQH-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000174876464 464463259 /nfs/dbraw/zinc/46/32/59/464463259.db2.gz WWPBXFMSCGBVQH-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330545415 465700689 /nfs/dbraw/zinc/70/06/89/465700689.db2.gz UTNQBFDKQKENDN-QFBILLFUSA-N 2 1 334.508 2.237 10 30 EEEEMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000569256655 468464403 /nfs/dbraw/zinc/46/44/03/468464403.db2.gz LHEJATVBLOETGT-QGZVFWFLSA-N 2 1 340.471 2.003 10 30 EEEEMP COC[C@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959276 466040998 /nfs/dbraw/zinc/04/09/98/466040998.db2.gz DGQLZFSVNOWGHS-PMACEKPBSA-N 2 1 336.520 2.487 10 30 EEEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123833 467496258 /nfs/dbraw/zinc/49/62/58/467496258.db2.gz JTFNTMUGPKWCAZ-KRWDZBQOSA-N 2 1 327.432 2.139 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738685 472229344 /nfs/dbraw/zinc/22/93/44/472229344.db2.gz YPVGALISAWRUDG-AZUAARDMSA-N 2 1 327.472 2.466 10 30 EEEEMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000262468543 686198583 /nfs/dbraw/zinc/19/85/83/686198583.db2.gz OEFIMUNCJAYLQJ-IIAWOOMASA-N 2 1 336.505 2.166 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001267184738 1178448912 /nfs/dbraw/zinc/44/89/12/1178448912.db2.gz FAAZKROBPPODPY-IEBWSBKVSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001267294880 1178702320 /nfs/dbraw/zinc/70/23/20/1178702320.db2.gz NRARVNOSTISPFA-UHFFFAOYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267522713 1179257335 /nfs/dbraw/zinc/25/73/35/1179257335.db2.gz KMPHZWFNYPDNCI-HKUYNNGSSA-N 2 1 327.472 2.331 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267576639 1179489956 /nfs/dbraw/zinc/48/99/56/1179489956.db2.gz UULCVLCVRZYOBH-LJQANCHMSA-N 2 1 341.499 2.256 10 30 EEEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001481334514 1181058301 /nfs/dbraw/zinc/05/83/01/1181058301.db2.gz YPCPACHCSDMMEJ-PKOBYXMFSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001481904184 1182917341 /nfs/dbraw/zinc/91/73/41/1182917341.db2.gz NOFGYGWNNJVHKR-LJQANCHMSA-N 2 1 337.483 2.241 10 30 EEEEMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481941599 1183000394 /nfs/dbraw/zinc/00/03/94/1183000394.db2.gz VBFPICLTNOXGJG-RBUKOAKNSA-N 2 1 337.483 2.097 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738123 1184752678 /nfs/dbraw/zinc/75/26/78/1184752678.db2.gz SPRYUTNQQQZFSJ-ZIAGYGMSSA-N 2 1 335.414 2.272 10 30 EEEEMP C=CC[NH2+]Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC001270081368 1184833228 /nfs/dbraw/zinc/83/32/28/1184833228.db2.gz BIVKPNLCIHAHII-UHFFFAOYSA-N 2 1 347.422 2.473 10 30 EEEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001270761019 1185372500 /nfs/dbraw/zinc/37/25/00/1185372500.db2.gz RUUSMCOULHUXPR-HXUWFJFHSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001270965772 1185779135 /nfs/dbraw/zinc/77/91/35/1185779135.db2.gz OTCMXLJCNALSMP-AZUAARDMSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001270965772 1185779140 /nfs/dbraw/zinc/77/91/40/1185779140.db2.gz OTCMXLJCNALSMP-AZUAARDMSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001270965772 1185779144 /nfs/dbraw/zinc/77/91/44/1185779144.db2.gz OTCMXLJCNALSMP-AZUAARDMSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001270965772 1185779148 /nfs/dbraw/zinc/77/91/48/1185779148.db2.gz OTCMXLJCNALSMP-AZUAARDMSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042892 1187235506 /nfs/dbraw/zinc/23/55/06/1187235506.db2.gz JIOWSKMRIYFCMW-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042892 1187235510 /nfs/dbraw/zinc/23/55/10/1187235510.db2.gz JIOWSKMRIYFCMW-RBUKOAKNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001272071326 1187384872 /nfs/dbraw/zinc/38/48/72/1187384872.db2.gz GFALZGUHVPLXRV-YESZJQIVSA-N 2 1 325.472 2.165 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001482649299 1187479859 /nfs/dbraw/zinc/47/98/59/1187479859.db2.gz CEECXKKQAWIXPT-SFHVURJKSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C\CC)CC2 ZINC001272804860 1193507724 /nfs/dbraw/zinc/50/77/24/1193507724.db2.gz JMZAPFNUAAPSHB-VOFKWLDRSA-N 2 1 343.515 2.365 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C\CC)CC2 ZINC001272804860 1193507726 /nfs/dbraw/zinc/50/77/26/1193507726.db2.gz JMZAPFNUAAPSHB-VOFKWLDRSA-N 2 1 343.515 2.365 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001484550104 1191409822 /nfs/dbraw/zinc/40/98/22/1191409822.db2.gz PPFKJLQOOPJZOR-CQSZACIVSA-N 2 1 346.313 2.065 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156294 1191668439 /nfs/dbraw/zinc/66/84/39/1191668439.db2.gz GITVHTGCXKKYQF-ZIAGYGMSSA-N 2 1 346.450 2.164 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001485435656 1191784113 /nfs/dbraw/zinc/78/41/13/1191784113.db2.gz YOYJNJDRQWLONJ-MOPGFXCFSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001485435656 1191784115 /nfs/dbraw/zinc/78/41/15/1191784115.db2.gz YOYJNJDRQWLONJ-MOPGFXCFSA-N 2 1 333.520 2.347 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272966505 1194275679 /nfs/dbraw/zinc/27/56/79/1194275679.db2.gz IVEYABCEDLZOPA-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000876443931 1199632043 /nfs/dbraw/zinc/63/20/43/1199632043.db2.gz VHLFVVQUEJFADE-GUDVDZBRSA-N 2 1 348.535 2.236 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491487342 1259137723 /nfs/dbraw/zinc/13/77/23/1259137723.db2.gz ZQQGKDOIEZFZQU-JXFKEZNVSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491487342 1259137726 /nfs/dbraw/zinc/13/77/26/1259137726.db2.gz ZQQGKDOIEZFZQU-JXFKEZNVSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[NH+]1CCC(CCCCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001273814788 1286327658 /nfs/dbraw/zinc/32/76/58/1286327658.db2.gz SDLRBYBFXYHQHU-UHFFFAOYSA-N 2 1 330.476 2.213 10 30 EEEEMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001273840029 1286695250 /nfs/dbraw/zinc/69/52/50/1286695250.db2.gz GAWRSLCFCMMWDI-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001273840029 1286695264 /nfs/dbraw/zinc/69/52/64/1286695264.db2.gz GAWRSLCFCMMWDI-HXUWFJFHSA-N 2 1 342.487 2.310 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001489300589 1290494437 /nfs/dbraw/zinc/49/44/37/1290494437.db2.gz LCLUEBLRYDFMFL-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001489300589 1290494442 /nfs/dbraw/zinc/49/44/42/1290494442.db2.gz LCLUEBLRYDFMFL-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001489300589 1290494445 /nfs/dbraw/zinc/49/44/45/1290494445.db2.gz LCLUEBLRYDFMFL-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001489300589 1290494460 /nfs/dbraw/zinc/49/44/60/1290494460.db2.gz LCLUEBLRYDFMFL-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001490343040 1291158299 /nfs/dbraw/zinc/15/82/99/1291158299.db2.gz MKLRVDXCZZFBPY-UHFFFAOYSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490594679 1291495832 /nfs/dbraw/zinc/49/58/32/1291495832.db2.gz HUBJBNVCDCAEFT-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCOCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605754 1293579534 /nfs/dbraw/zinc/57/95/34/1293579534.db2.gz DXRYYDPTAUPEAQ-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP C#CCOCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605754 1293579538 /nfs/dbraw/zinc/57/95/38/1293579538.db2.gz DXRYYDPTAUPEAQ-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP C#CCOCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605754 1293579541 /nfs/dbraw/zinc/57/95/41/1293579541.db2.gz DXRYYDPTAUPEAQ-LJQANCHMSA-N 2 1 331.460 2.025 10 30 EEEEMP C#CCC1(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCC1 ZINC000886797839 1296742602 /nfs/dbraw/zinc/74/26/02/1296742602.db2.gz CNTNCMJQKYZUKZ-UHFFFAOYSA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277149126 1301517164 /nfs/dbraw/zinc/51/71/64/1301517164.db2.gz ZMUUDSKLWMJOBL-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001277547455 1303884993 /nfs/dbraw/zinc/88/49/93/1303884993.db2.gz GASUSZWUTSKEAK-PKOBYXMFSA-N 2 1 327.472 2.189 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163090 1306145392 /nfs/dbraw/zinc/14/53/92/1306145392.db2.gz AXOLDOCWNGBOIV-MJGOQNOKSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001278194995 1306246312 /nfs/dbraw/zinc/24/63/12/1306246312.db2.gz ZNNNZMBZZRQHHK-GOSISDBHSA-N 2 1 331.504 2.055 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC001156672871 1318155451 /nfs/dbraw/zinc/15/54/51/1318155451.db2.gz ZZTCUALHGUTTRS-KRWDZBQOSA-N 2 1 329.488 2.400 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001156672871 1318155457 /nfs/dbraw/zinc/15/54/57/1318155457.db2.gz ZZTCUALHGUTTRS-KRWDZBQOSA-N 2 1 329.488 2.400 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001156672871 1318155464 /nfs/dbraw/zinc/15/54/64/1318155464.db2.gz ZZTCUALHGUTTRS-KRWDZBQOSA-N 2 1 329.488 2.400 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001265948038 1323510859 /nfs/dbraw/zinc/51/08/59/1323510859.db2.gz HIAWKXLVLYDXHO-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491897228 1330294466 /nfs/dbraw/zinc/29/44/66/1330294466.db2.gz UPROGRPXMNUXHE-MOPGFXCFSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491897228 1330294469 /nfs/dbraw/zinc/29/44/69/1330294469.db2.gz UPROGRPXMNUXHE-MOPGFXCFSA-N 2 1 327.472 2.159 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001492154902 1331018288 /nfs/dbraw/zinc/01/82/88/1331018288.db2.gz XGVGMBPZVJXGSR-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001492154902 1331018293 /nfs/dbraw/zinc/01/82/93/1331018293.db2.gz XGVGMBPZVJXGSR-DLBZAZTESA-N 2 1 330.476 2.391 10 30 EEEEMP C[NH+](CC(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC001492423058 1331236538 /nfs/dbraw/zinc/23/65/38/1331236538.db2.gz LRGCGDIOPVGMGV-UHFFFAOYSA-N 2 1 347.478 2.203 10 30 EEEEMP C[NH+](CC(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC001492423058 1331236549 /nfs/dbraw/zinc/23/65/49/1331236549.db2.gz LRGCGDIOPVGMGV-UHFFFAOYSA-N 2 1 347.478 2.203 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001492423058 1331236556 /nfs/dbraw/zinc/23/65/56/1331236556.db2.gz LRGCGDIOPVGMGV-UHFFFAOYSA-N 2 1 347.478 2.203 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001492423058 1331236562 /nfs/dbraw/zinc/23/65/62/1331236562.db2.gz LRGCGDIOPVGMGV-UHFFFAOYSA-N 2 1 347.478 2.203 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317467749 1331493033 /nfs/dbraw/zinc/49/30/33/1331493033.db2.gz XGJBQNCUYAUSRH-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317467749 1331493038 /nfs/dbraw/zinc/49/30/38/1331493038.db2.gz XGJBQNCUYAUSRH-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317467749 1331493040 /nfs/dbraw/zinc/49/30/40/1331493040.db2.gz XGJBQNCUYAUSRH-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317467749 1331493044 /nfs/dbraw/zinc/49/30/44/1331493044.db2.gz XGJBQNCUYAUSRH-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317041343 1332056387 /nfs/dbraw/zinc/05/63/87/1332056387.db2.gz VAFQOGKSQPZCBE-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041343 1332056389 /nfs/dbraw/zinc/05/63/89/1332056389.db2.gz VAFQOGKSQPZCBE-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001317041343 1332056392 /nfs/dbraw/zinc/05/63/92/1332056392.db2.gz VAFQOGKSQPZCBE-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195251 1332663525 /nfs/dbraw/zinc/66/35/25/1332663525.db2.gz GJODJRJWILGBFK-UYAOXDASSA-N 2 1 341.499 2.254 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001319594800 1332726219 /nfs/dbraw/zinc/72/62/19/1332726219.db2.gz WORUPHHNZKGQRS-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001320423146 1332879990 /nfs/dbraw/zinc/87/99/90/1332879990.db2.gz UIZQBDBMYZLUDT-RRQGHBQHSA-N 2 1 348.516 2.334 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320465569 1332890855 /nfs/dbraw/zinc/89/08/55/1332890855.db2.gz ZFAZAQAIDWFPRE-BBRMVZONSA-N 2 1 334.489 2.088 10 30 EEEEMP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001321095581 1333017597 /nfs/dbraw/zinc/01/75/97/1333017597.db2.gz DDDBRJZVRPZILX-VZSQWMKGSA-N 2 1 340.471 2.195 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001321095581 1333017601 /nfs/dbraw/zinc/01/76/01/1333017601.db2.gz DDDBRJZVRPZILX-VZSQWMKGSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001321543465 1333121625 /nfs/dbraw/zinc/12/16/25/1333121625.db2.gz RTJRAWPABOHLNS-VKJFTORMSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001321543465 1333121630 /nfs/dbraw/zinc/12/16/30/1333121630.db2.gz RTJRAWPABOHLNS-VKJFTORMSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324869163 1333777346 /nfs/dbraw/zinc/77/73/46/1333777346.db2.gz OFYSXXCEGZTHGP-GOSISDBHSA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CC#N ZINC001332021811 1335707390 /nfs/dbraw/zinc/70/73/90/1335707390.db2.gz PTUIKXIBZCOKOG-CALCHBBNSA-N 2 1 330.476 2.045 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001339721441 1337060525 /nfs/dbraw/zinc/06/05/25/1337060525.db2.gz YAOXBBDKJBTNRF-MRXNPFEDSA-N 2 1 346.523 2.194 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001351862216 1337857748 /nfs/dbraw/zinc/85/77/48/1337857748.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001351862216 1337857751 /nfs/dbraw/zinc/85/77/51/1337857751.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001351862216 1337857754 /nfs/dbraw/zinc/85/77/54/1337857754.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566724334 1342614903 /nfs/dbraw/zinc/61/49/03/1342614903.db2.gz HBQNGIXQRMGDCT-MAUKXSAKSA-N 2 1 325.472 2.259 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746538 1342622690 /nfs/dbraw/zinc/62/26/90/1342622690.db2.gz KJOZMACBZZJIKV-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566746538 1342622694 /nfs/dbraw/zinc/62/26/94/1342622694.db2.gz KJOZMACBZZJIKV-UYAOXDASSA-N 2 1 341.499 2.483 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725550 1342934330 /nfs/dbraw/zinc/93/43/30/1342934330.db2.gz AXSAGADVDQBSHQ-HXUWFJFHSA-N 2 1 333.520 2.494 10 30 EEEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001676052863 1357097551 /nfs/dbraw/zinc/09/75/51/1357097551.db2.gz YHQRJPFLGYPHNL-MRXNPFEDSA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001676052863 1357097553 /nfs/dbraw/zinc/09/75/53/1357097553.db2.gz YHQRJPFLGYPHNL-MRXNPFEDSA-N 2 1 330.476 2.343 10 30 EEEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001569822327 1342952552 /nfs/dbraw/zinc/95/25/52/1342952552.db2.gz YLTZBYZJHGEETG-JKSUJKDBSA-N 2 1 346.475 2.287 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001570905119 1343137970 /nfs/dbraw/zinc/13/79/70/1343137970.db2.gz NUJLLAFEBPWIBQ-OALUTQOASA-N 2 1 341.499 2.205 10 30 EEEEMP CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001570905119 1343137976 /nfs/dbraw/zinc/13/79/76/1343137976.db2.gz NUJLLAFEBPWIBQ-OALUTQOASA-N 2 1 341.499 2.205 10 30 EEEEMP C#CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001628355368 1352531580 /nfs/dbraw/zinc/53/15/80/1352531580.db2.gz XVBULOLXUBIYNP-UHFFFAOYSA-N 2 1 339.483 2.454 10 30 EEEEMP C#CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001628355368 1352531582 /nfs/dbraw/zinc/53/15/82/1352531582.db2.gz XVBULOLXUBIYNP-UHFFFAOYSA-N 2 1 339.483 2.454 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cc(F)ccc1C#N ZINC001664396008 1355154585 /nfs/dbraw/zinc/15/45/85/1355154585.db2.gz YKLICXRCKNUKBN-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001664396008 1355154591 /nfs/dbraw/zinc/15/45/91/1355154591.db2.gz YKLICXRCKNUKBN-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001668868880 1356029627 /nfs/dbraw/zinc/02/96/27/1356029627.db2.gz TXDJLPRIXAMNQA-LIHUFFQZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001668868880 1356029630 /nfs/dbraw/zinc/02/96/30/1356029630.db2.gz TXDJLPRIXAMNQA-LIHUFFQZSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC[NH+](CCCC)CC1 ZINC001671481277 1356346913 /nfs/dbraw/zinc/34/69/13/1356346913.db2.gz FBBONAZMKIGGJZ-IAGOWNOFSA-N 2 1 328.460 2.240 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001672970272 1356624439 /nfs/dbraw/zinc/62/44/39/1356624439.db2.gz SRUZRUCEKSUIGK-SHTZXODSSA-N 2 1 334.464 2.191 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001675204829 1356945102 /nfs/dbraw/zinc/94/51/02/1356945102.db2.gz UXDCKUWCRZKMIU-UHFFFAOYSA-N 2 1 337.508 2.084 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699761293 1405471020 /nfs/dbraw/zinc/47/10/20/1405471020.db2.gz GDOVUQPMWPKDCF-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699761421 1405471330 /nfs/dbraw/zinc/47/13/30/1405471330.db2.gz IDZMMKKEKQYIPR-SFHVURJKSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1 ZINC000940157984 778192014 /nfs/dbraw/zinc/19/20/14/778192014.db2.gz ITHODMZPLDOYLR-SFHVURJKSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1 ZINC000940157984 778192018 /nfs/dbraw/zinc/19/20/18/778192018.db2.gz ITHODMZPLDOYLR-SFHVURJKSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743890 779232008 /nfs/dbraw/zinc/23/20/08/779232008.db2.gz DUNLSOUDOIKLPH-HZPDHXFCSA-N 2 1 339.911 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743890 779232013 /nfs/dbraw/zinc/23/20/13/779232013.db2.gz DUNLSOUDOIKLPH-HZPDHXFCSA-N 2 1 339.911 2.297 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910388 786603761 /nfs/dbraw/zinc/60/37/61/786603761.db2.gz OSNLGWBJNJCPBV-BBWFWOEESA-N 2 1 335.492 2.319 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910388 786603768 /nfs/dbraw/zinc/60/37/68/786603768.db2.gz OSNLGWBJNJCPBV-BBWFWOEESA-N 2 1 335.492 2.319 10 30 EEEEMP [NH3+]CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923531464 789729765 /nfs/dbraw/zinc/72/97/65/789729765.db2.gz RCMXBXVYRPCZHQ-KNVOCYPGSA-N 2 1 326.231 2.438 10 30 EEEEMP [NH3+]CCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923531464 789729769 /nfs/dbraw/zinc/72/97/69/789729769.db2.gz RCMXBXVYRPCZHQ-KNVOCYPGSA-N 2 1 326.231 2.438 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cccc(C#N)c1 ZINC001566458763 1125618823 /nfs/dbraw/zinc/61/88/23/1125618823.db2.gz JUTWAMINTXZQQT-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001566458763 1125618835 /nfs/dbraw/zinc/61/88/35/1125618835.db2.gz JUTWAMINTXZQQT-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001566458763 1125618838 /nfs/dbraw/zinc/61/88/38/1125618838.db2.gz JUTWAMINTXZQQT-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438663349 1091152366 /nfs/dbraw/zinc/15/23/66/1091152366.db2.gz JLSYZABCNLBFCT-CABCVRRESA-N 2 1 348.516 2.431 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001441936436 1096129783 /nfs/dbraw/zinc/12/97/83/1096129783.db2.gz KRWMGEIZYYVPED-ZIAGYGMSSA-N 2 1 346.313 2.111 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001479915175 1099318460 /nfs/dbraw/zinc/31/84/60/1099318460.db2.gz LGAAXENEZILIFG-LJQANCHMSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001480481208 1100290797 /nfs/dbraw/zinc/29/07/97/1100290797.db2.gz WOZSXIJCPZLZAW-ICSRJNTNSA-N 2 1 341.499 2.304 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001480481208 1100290803 /nfs/dbraw/zinc/29/08/03/1100290803.db2.gz WOZSXIJCPZLZAW-ICSRJNTNSA-N 2 1 341.499 2.304 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001446580485 1101069783 /nfs/dbraw/zinc/06/97/83/1101069783.db2.gz UXHAYENZJJIJOI-ZMSDIMECSA-N 2 1 327.900 2.297 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603452 1101204044 /nfs/dbraw/zinc/20/40/44/1101204044.db2.gz ROVQIEJUELNTTR-VQIMIIECSA-N 2 1 342.487 2.130 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497253225 1102197246 /nfs/dbraw/zinc/19/72/46/1102197246.db2.gz QDSGFQSSMGUMDO-QAPCUYQASA-N 2 1 328.460 2.027 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001498499020 1107639310 /nfs/dbraw/zinc/63/93/10/1107639310.db2.gz WMEDWNFXNQDDRY-ROUUACIJSA-N 2 1 330.476 2.260 10 30 EEEEMP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498560384 1107723195 /nfs/dbraw/zinc/72/31/95/1107723195.db2.gz QLBLFMLXWVWJAE-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)CC[NH+](C)C ZINC001493313228 1107913974 /nfs/dbraw/zinc/91/39/74/1107913974.db2.gz CCPKQMIQJHXQQU-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001493857973 1108744018 /nfs/dbraw/zinc/74/40/18/1108744018.db2.gz LRKULWKQQKTXKF-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001493857973 1108744023 /nfs/dbraw/zinc/74/40/23/1108744023.db2.gz LRKULWKQQKTXKF-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001493857973 1108744032 /nfs/dbraw/zinc/74/40/32/1108744032.db2.gz LRKULWKQQKTXKF-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706311 1108822886 /nfs/dbraw/zinc/82/28/86/1108822886.db2.gz RLHSHMAUDGBVSI-WOJBJXKFSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001455706311 1108822891 /nfs/dbraw/zinc/82/28/91/1108822891.db2.gz RLHSHMAUDGBVSI-WOJBJXKFSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001455706311 1108822896 /nfs/dbraw/zinc/82/28/96/1108822896.db2.gz RLHSHMAUDGBVSI-WOJBJXKFSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001455706311 1108822902 /nfs/dbraw/zinc/82/29/02/1108822902.db2.gz RLHSHMAUDGBVSI-WOJBJXKFSA-N 2 1 339.483 2.112 10 30 EEEEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001499461286 1112297817 /nfs/dbraw/zinc/29/78/17/1112297817.db2.gz HCKUXZASANELFW-HOTGVXAUSA-N 2 1 340.471 2.169 10 30 EEEEMP C=CC[N@H+](CCNC(=O)[C@H]1CN(CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340060 /nfs/dbraw/zinc/34/00/60/1112340060.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340065 /nfs/dbraw/zinc/34/00/65/1112340065.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340070 /nfs/dbraw/zinc/34/00/70/1112340070.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340074 /nfs/dbraw/zinc/34/00/74/1112340074.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340079 /nfs/dbraw/zinc/34/00/79/1112340079.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001500037765 1112588291 /nfs/dbraw/zinc/58/82/91/1112588291.db2.gz LXKPSVCMQCMVLE-IEBWSBKVSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001500054603 1112595032 /nfs/dbraw/zinc/59/50/32/1112595032.db2.gz RPPBYJJOFQODIL-INIZCTEOSA-N 2 1 325.472 2.003 10 30 EEEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001501226593 1113251762 /nfs/dbraw/zinc/25/17/62/1113251762.db2.gz SUZFUEVWXQEYMZ-HDICACEKSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406771 1113671529 /nfs/dbraw/zinc/67/15/29/1113671529.db2.gz SDYRJVAGMCFMMW-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430689 1113964446 /nfs/dbraw/zinc/96/44/46/1113964446.db2.gz HUETVXOLUAZJHN-JKSUJKDBSA-N 2 1 325.884 2.004 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430689 1113964448 /nfs/dbraw/zinc/96/44/48/1113964448.db2.gz HUETVXOLUAZJHN-JKSUJKDBSA-N 2 1 325.884 2.004 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001506871621 1114942134 /nfs/dbraw/zinc/94/21/34/1114942134.db2.gz AHZVOMJBWNOROJ-ROUUACIJSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001506962466 1115011262 /nfs/dbraw/zinc/01/12/62/1115011262.db2.gz BNWJYRBKFDUOMP-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001506962466 1115011264 /nfs/dbraw/zinc/01/12/64/1115011264.db2.gz BNWJYRBKFDUOMP-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001506962466 1115011265 /nfs/dbraw/zinc/01/12/65/1115011265.db2.gz BNWJYRBKFDUOMP-UHFFFAOYSA-N 2 1 341.499 2.107 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001507089475 1115102298 /nfs/dbraw/zinc/10/22/98/1115102298.db2.gz BYWFSFGCGLZFRG-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001507089475 1115102299 /nfs/dbraw/zinc/10/22/99/1115102299.db2.gz BYWFSFGCGLZFRG-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507161790 1115141802 /nfs/dbraw/zinc/14/18/02/1115141802.db2.gz MPMAEZRLBXVTIT-UONOGXRCSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001568410130 1124479359 /nfs/dbraw/zinc/47/93/59/1124479359.db2.gz RLQXNEOBFCZEJA-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001569229866 1125181145 /nfs/dbraw/zinc/18/11/45/1125181145.db2.gz JZUVQLUAKAFUAN-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329297135 465290984 /nfs/dbraw/zinc/29/09/84/465290984.db2.gz TUVPUKPXDXOLBS-CQSZACIVSA-N 2 1 333.480 2.093 10 30 EEEEMP C[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329297135 465290986 /nfs/dbraw/zinc/29/09/86/465290986.db2.gz TUVPUKPXDXOLBS-CQSZACIVSA-N 2 1 333.480 2.093 10 30 EEEEMP C#CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000072284314 463497541 /nfs/dbraw/zinc/49/75/41/463497541.db2.gz YMLVHWUBHGPKHV-INIZCTEOSA-N 2 1 333.501 2.031 10 30 EEEEMP C#CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072284314 463497544 /nfs/dbraw/zinc/49/75/44/463497544.db2.gz YMLVHWUBHGPKHV-INIZCTEOSA-N 2 1 333.501 2.031 10 30 EEEEMP C#CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072284314 463497550 /nfs/dbraw/zinc/49/75/50/463497550.db2.gz YMLVHWUBHGPKHV-INIZCTEOSA-N 2 1 333.501 2.031 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366795209 465940030 /nfs/dbraw/zinc/94/00/30/465940030.db2.gz NBDZIBBFRFRBAE-RTBURBONSA-N 2 1 343.446 2.032 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366795209 465940036 /nfs/dbraw/zinc/94/00/36/465940036.db2.gz NBDZIBBFRFRBAE-RTBURBONSA-N 2 1 343.446 2.032 10 30 EEEEMP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000600715388 468630782 /nfs/dbraw/zinc/63/07/82/468630782.db2.gz CKXBMFZIIPQGFV-LJQANCHMSA-N 2 1 327.472 2.338 10 30 EEEEMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358552 469224672 /nfs/dbraw/zinc/22/46/72/469224672.db2.gz FBWWKGKVMRLZKM-JENIJYKNSA-N 2 1 349.519 2.300 10 30 EEEEMP Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596802921 469364162 /nfs/dbraw/zinc/36/41/62/469364162.db2.gz HXVJWUIFFZMVHB-AWEZNQCLSA-N 2 1 331.464 2.260 10 30 EEEEMP Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596802921 469364166 /nfs/dbraw/zinc/36/41/66/469364166.db2.gz HXVJWUIFFZMVHB-AWEZNQCLSA-N 2 1 331.464 2.260 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001670523519 1176865135 /nfs/dbraw/zinc/86/51/35/1176865135.db2.gz ZTSQXBNNFSBFBV-SJLPKXTDSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664137 1177086649 /nfs/dbraw/zinc/08/66/49/1177086649.db2.gz VQNVQSRWJZXTOW-MOPGFXCFSA-N 2 1 342.487 2.308 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664137 1177086654 /nfs/dbraw/zinc/08/66/54/1177086654.db2.gz VQNVQSRWJZXTOW-MOPGFXCFSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001266752690 1177353035 /nfs/dbraw/zinc/35/30/35/1177353035.db2.gz VAYJNEQWDGUTNY-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266752690 1177353043 /nfs/dbraw/zinc/35/30/43/1177353043.db2.gz VAYJNEQWDGUTNY-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001266752690 1177353047 /nfs/dbraw/zinc/35/30/47/1177353047.db2.gz VAYJNEQWDGUTNY-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001266752690 1177353053 /nfs/dbraw/zinc/35/30/53/1177353053.db2.gz VAYJNEQWDGUTNY-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccc(CC)cc2)CC1 ZINC001267233432 1178560664 /nfs/dbraw/zinc/56/06/64/1178560664.db2.gz UKWNGNMUKLMFQZ-UHFFFAOYSA-N 2 1 341.499 2.142 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001267714766 1180253953 /nfs/dbraw/zinc/25/39/53/1180253953.db2.gz PWWFZWGQVKIZMW-FQEVSTJZSA-N 2 1 339.483 2.209 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001267714766 1180253957 /nfs/dbraw/zinc/25/39/57/1180253957.db2.gz PWWFZWGQVKIZMW-FQEVSTJZSA-N 2 1 339.483 2.209 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001267938349 1180793817 /nfs/dbraw/zinc/79/38/17/1180793817.db2.gz TYOQBCWHEIOJPC-VQTJNVASSA-N 2 1 339.483 2.433 10 30 EEEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001481343831 1181078820 /nfs/dbraw/zinc/07/88/20/1181078820.db2.gz WCFPPLWUGBJNTL-RHSMWYFYSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(Br)CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357511 1181114964 /nfs/dbraw/zinc/11/49/64/1181114964.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001481357511 1181114967 /nfs/dbraw/zinc/11/49/67/1181114967.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001481357511 1181114969 /nfs/dbraw/zinc/11/49/69/1181114969.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001481357511 1181114970 /nfs/dbraw/zinc/11/49/70/1181114970.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357511 1181114973 /nfs/dbraw/zinc/11/49/73/1181114973.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 1 346.313 2.063 10 30 EEEEMP CN(CC#Cc1ccc(Cl)cc1)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268257414 1182090568 /nfs/dbraw/zinc/09/05/68/1182090568.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268257414 1182090575 /nfs/dbraw/zinc/09/05/75/1182090575.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268257414 1182090585 /nfs/dbraw/zinc/09/05/85/1182090585.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268257414 1182090592 /nfs/dbraw/zinc/09/05/92/1182090592.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268257414 1182090599 /nfs/dbraw/zinc/09/05/99/1182090599.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 1 347.890 2.033 10 30 EEEEMP C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268736162 1183657644 /nfs/dbraw/zinc/65/76/44/1183657644.db2.gz QNRBXWWNHIXGDO-LPHOPBHVSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001269553449 1184381773 /nfs/dbraw/zinc/38/17/73/1184381773.db2.gz TUPDUCAQIBBUPQ-IBGZPJMESA-N 2 1 342.487 2.165 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001269553449 1184381779 /nfs/dbraw/zinc/38/17/79/1184381779.db2.gz TUPDUCAQIBBUPQ-IBGZPJMESA-N 2 1 342.487 2.165 10 30 EEEEMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269908243 1184708877 /nfs/dbraw/zinc/70/88/77/1184708877.db2.gz LROHTSLDLPPHDL-AWEZNQCLSA-N 2 1 327.900 2.299 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001270478955 1185121392 /nfs/dbraw/zinc/12/13/92/1185121392.db2.gz WKPFQJSVTLYPSD-CRAIPNDOSA-N 2 1 347.890 2.128 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650829 1185266801 /nfs/dbraw/zinc/26/68/01/1185266801.db2.gz 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EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001482894826 1187822746 /nfs/dbraw/zinc/82/27/46/1187822746.db2.gz PFQGYKSXDSAFBH-KDOFPFPSSA-N 2 1 346.500 2.090 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001409265279 1188283328 /nfs/dbraw/zinc/28/33/28/1188283328.db2.gz CSFUMWGSUZFLQC-UYSNPLJNSA-N 2 1 327.900 2.486 10 30 EEEEMP C=CC[N@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@H](C)C3)cccc2C1 ZINC001272916545 1193602828 /nfs/dbraw/zinc/60/28/28/1193602828.db2.gz BBSGZOGUQBLVEI-INIZCTEOSA-N 2 1 327.472 2.189 10 30 EEEEMP C=CC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@H](C)C3)cccc2C1 ZINC001272916545 1193602830 /nfs/dbraw/zinc/60/28/30/1193602830.db2.gz BBSGZOGUQBLVEI-INIZCTEOSA-N 2 1 327.472 2.189 10 30 EEEEMP C#CCN(C(=O)CCc1cnc[nH]1)C1CC[NH+](CCC2CC2)CC1 ZINC001483985063 1191142561 /nfs/dbraw/zinc/14/25/61/1191142561.db2.gz JSAOCDJYWZJLDW-UHFFFAOYSA-N 2 1 328.460 2.069 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137306 1191228708 /nfs/dbraw/zinc/22/87/08/1191228708.db2.gz NDJVDAOCYGXYEN-ACBHZAAOSA-N 2 1 345.531 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137306 1191228709 /nfs/dbraw/zinc/22/87/09/1191228709.db2.gz NDJVDAOCYGXYEN-ACBHZAAOSA-N 2 1 345.531 2.348 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001484143714 1191233204 /nfs/dbraw/zinc/23/32/04/1191233204.db2.gz OUEQOWHRMAICOT-QZTJIDSGSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001484925739 1191572996 /nfs/dbraw/zinc/57/29/96/1191572996.db2.gz UWUVMLZHLLFBDW-UHFFFAOYSA-N 2 1 339.443 2.428 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001485084677 1191647547 /nfs/dbraw/zinc/64/75/47/1191647547.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001485084677 1191647548 /nfs/dbraw/zinc/64/75/48/1191647548.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001485084677 1191647549 /nfs/dbraw/zinc/64/75/49/1191647549.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2F)CC1 ZINC001485387040 1191774521 /nfs/dbraw/zinc/77/45/21/1191774521.db2.gz BVHSRCVYBVDTEV-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2F)CC1 ZINC001485387040 1191774522 /nfs/dbraw/zinc/77/45/22/1191774522.db2.gz BVHSRCVYBVDTEV-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC1CCC1)C(C)C ZINC001485435659 1191784204 /nfs/dbraw/zinc/78/42/04/1191784204.db2.gz YOYJNJDRQWLONJ-OALUTQOASA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC1CCC1)C(C)C ZINC001485435659 1191784206 /nfs/dbraw/zinc/78/42/06/1191784206.db2.gz YOYJNJDRQWLONJ-OALUTQOASA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1Cl ZINC001273428600 1198811591 /nfs/dbraw/zinc/81/15/91/1198811591.db2.gz VWYCMHIFYONOFX-SFHVURJKSA-N 2 1 347.890 2.376 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901065 1199813391 /nfs/dbraw/zinc/81/33/91/1199813391.db2.gz XWSFBLHALAMHIP-OIISXLGYSA-N 2 1 335.879 2.483 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720766 1205498724 /nfs/dbraw/zinc/49/87/24/1205498724.db2.gz MOCAAUNBIWPCAR-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720766 1205498725 /nfs/dbraw/zinc/49/87/25/1205498725.db2.gz MOCAAUNBIWPCAR-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720766 1205498726 /nfs/dbraw/zinc/49/87/26/1205498726.db2.gz MOCAAUNBIWPCAR-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275720766 1205498727 /nfs/dbraw/zinc/49/87/27/1205498727.db2.gz MOCAAUNBIWPCAR-WBVHZDCISA-N 2 1 347.890 2.080 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC001276013772 1205637057 /nfs/dbraw/zinc/63/70/57/1205637057.db2.gz ZPKXZABTODKGJN-QGZVFWFLSA-N 2 1 333.520 2.348 10 30 EEEEMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948620 1239164493 /nfs/dbraw/zinc/16/44/93/1239164493.db2.gz VAEILXQHFFKFHN-KXBFYZLASA-N 2 1 336.439 2.371 10 30 EEEEMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948620 1239164496 /nfs/dbraw/zinc/16/44/96/1239164496.db2.gz VAEILXQHFFKFHN-KXBFYZLASA-N 2 1 336.439 2.371 10 30 EEEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726695 1241733888 /nfs/dbraw/zinc/73/38/88/1241733888.db2.gz NEOXBPMHCOOYHC-MSOLQXFVSA-N 2 1 331.416 2.351 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N 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/nfs/dbraw/zinc/69/05/59/1291690559.db2.gz BABVQGYXVSQNAW-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001490761358 1291690568 /nfs/dbraw/zinc/69/05/68/1291690568.db2.gz BABVQGYXVSQNAW-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294273 1302230884 /nfs/dbraw/zinc/23/08/84/1302230884.db2.gz JNZXNRIZIUNGSY-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001331644592 1335050668 /nfs/dbraw/zinc/05/06/68/1335050668.db2.gz PFKHHBSHTJTCJL-LERPTODRSA-N 2 1 346.302 2.087 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200618 1306283163 /nfs/dbraw/zinc/28/31/63/1306283163.db2.gz PHWMKCFPVIDTMD-QZTJIDSGSA-N 2 1 331.504 2.219 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200617 1306284106 /nfs/dbraw/zinc/28/41/06/1306284106.db2.gz PHWMKCFPVIDTMD-MSOLQXFVSA-N 2 1 331.504 2.219 10 30 EEEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001264594117 1322745034 /nfs/dbraw/zinc/74/50/34/1322745034.db2.gz FFKYTFVYUTZCDU-UONOGXRCSA-N 2 1 335.414 2.131 10 30 EEEEMP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265145868 1322947831 /nfs/dbraw/zinc/94/78/31/1322947831.db2.gz CWAHDAOQJAYFRA-UHFFFAOYSA-N 2 1 338.455 2.071 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265145868 1322947834 /nfs/dbraw/zinc/94/78/34/1322947834.db2.gz CWAHDAOQJAYFRA-UHFFFAOYSA-N 2 1 338.455 2.071 10 30 EEEEMP C=CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968437 /nfs/dbraw/zinc/96/84/37/1322968437.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968439 /nfs/dbraw/zinc/96/84/39/1322968439.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968444 /nfs/dbraw/zinc/96/84/44/1322968444.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001265397141 1323128149 /nfs/dbraw/zinc/12/81/49/1323128149.db2.gz SLDCLAOZGBVRFY-SFHVURJKSA-N 2 1 333.520 2.465 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266235154 1323819838 /nfs/dbraw/zinc/81/98/38/1323819838.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266235154 1323819844 /nfs/dbraw/zinc/81/98/44/1323819844.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266235154 1323819849 /nfs/dbraw/zinc/81/98/49/1323819849.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001280073155 1324075181 /nfs/dbraw/zinc/07/51/81/1324075181.db2.gz LRFLTVRORHHLHS-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001280073155 1324075187 /nfs/dbraw/zinc/07/51/87/1324075187.db2.gz LRFLTVRORHHLHS-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491934142 1330324853 /nfs/dbraw/zinc/32/48/53/1330324853.db2.gz HSRSGRWUPIEHNV-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491934142 1330324855 /nfs/dbraw/zinc/32/48/55/1330324855.db2.gz HSRSGRWUPIEHNV-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001317158796 1332104540 /nfs/dbraw/zinc/10/45/40/1332104540.db2.gz YPFWWSUCNGTKJN-MRXNPFEDSA-N 2 1 346.475 2.288 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(Cl)s1 ZINC001317597068 1332316986 /nfs/dbraw/zinc/31/69/86/1332316986.db2.gz RDRRVAFVOZGVAZ-AWEZNQCLSA-N 2 1 339.892 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(Cl)s1 ZINC001317597068 1332316990 /nfs/dbraw/zinc/31/69/90/1332316990.db2.gz RDRRVAFVOZGVAZ-AWEZNQCLSA-N 2 1 339.892 2.047 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322354204 1333252327 /nfs/dbraw/zinc/25/23/27/1333252327.db2.gz MSXCFWUDJHSTMW-RDJZCZTQSA-N 2 1 346.475 2.335 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001323637408 1333503870 /nfs/dbraw/zinc/50/38/70/1333503870.db2.gz LPJSVRNJTXVFIP-KRWDZBQOSA-N 2 1 330.476 2.479 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001323706176 1333521358 /nfs/dbraw/zinc/52/13/58/1333521358.db2.gz YJZINKVWIMMJBT-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001323706176 1333521363 /nfs/dbraw/zinc/52/13/63/1333521363.db2.gz YJZINKVWIMMJBT-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001323706176 1333521366 /nfs/dbraw/zinc/52/13/66/1333521366.db2.gz YJZINKVWIMMJBT-CEXWTWQISA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001324377146 1333669907 /nfs/dbraw/zinc/66/99/07/1333669907.db2.gz NKLBYKLCIODHTK-SFHVURJKSA-N 2 1 345.512 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC001326466704 1334098751 /nfs/dbraw/zinc/09/87/51/1334098751.db2.gz BYJWMHPAHSHHHZ-APWZRJJASA-N 2 1 327.472 2.461 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC001326466704 1334098756 /nfs/dbraw/zinc/09/87/56/1334098756.db2.gz BYJWMHPAHSHHHZ-APWZRJJASA-N 2 1 327.472 2.461 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187662 1334242976 /nfs/dbraw/zinc/24/29/76/1334242976.db2.gz GGLUSZLLKRBNPS-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001327187662 1334242981 /nfs/dbraw/zinc/24/29/81/1334242981.db2.gz GGLUSZLLKRBNPS-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP CN(CCC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001327187662 1334242983 /nfs/dbraw/zinc/24/29/83/1334242983.db2.gz GGLUSZLLKRBNPS-IBGZPJMESA-N 2 1 345.462 2.052 10 30 EEEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001327474485 1334299053 /nfs/dbraw/zinc/29/90/53/1334299053.db2.gz LJJRGMGENDKKKE-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098613 1334396085 /nfs/dbraw/zinc/39/60/85/1334396085.db2.gz PDBJRPPIDPQCRW-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001328916193 1334547468 /nfs/dbraw/zinc/54/74/68/1334547468.db2.gz WCAVXGCSDMTWNF-JTTJXQCZSA-N 2 1 325.472 2.259 10 30 EEEEMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532433 1342204182 /nfs/dbraw/zinc/20/41/82/1342204182.db2.gz QKPZDAZQFRKRBF-LJQANCHMSA-N 2 1 329.488 2.447 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001566879547 1342647111 /nfs/dbraw/zinc/64/71/11/1342647111.db2.gz OQDDKEPRIGTTDH-UXHICEINSA-N 2 1 341.499 2.207 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001661235648 1354615029 /nfs/dbraw/zinc/61/50/29/1354615029.db2.gz MADOSUAGGAUXRR-IBGZPJMESA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001663461117 1354965117 /nfs/dbraw/zinc/96/51/17/1354965117.db2.gz HRZAOOKRDRCUML-RLLQIKCJSA-N 2 1 345.531 2.206 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001672538401 1356550404 /nfs/dbraw/zinc/55/04/04/1356550404.db2.gz QAROVMOWFPYVEK-WOJBJXKFSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001672538401 1356550407 /nfs/dbraw/zinc/55/04/07/1356550407.db2.gz QAROVMOWFPYVEK-WOJBJXKFSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538401 1356550412 /nfs/dbraw/zinc/55/04/12/1356550412.db2.gz QAROVMOWFPYVEK-WOJBJXKFSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001672538401 1356550414 /nfs/dbraw/zinc/55/04/14/1356550414.db2.gz QAROVMOWFPYVEK-WOJBJXKFSA-N 2 1 341.499 2.412 10 30 EEEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001673650235 1356726798 /nfs/dbraw/zinc/72/67/98/1356726798.db2.gz GKLFDEWSYIEGHS-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001673650235 1356726800 /nfs/dbraw/zinc/72/68/00/1356726800.db2.gz GKLFDEWSYIEGHS-IBGZPJMESA-N 2 1 330.476 2.472 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](CC)CCC)CC2)CC1 ZINC001674352452 1356823256 /nfs/dbraw/zinc/82/32/56/1356823256.db2.gz BSWCADJRJAEWEN-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027822 /nfs/dbraw/zinc/02/78/22/1357027822.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027825 /nfs/dbraw/zinc/02/78/25/1357027825.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027828 /nfs/dbraw/zinc/02/78/28/1357027828.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699134805 1405284789 /nfs/dbraw/zinc/28/47/89/1405284789.db2.gz HIZIXXPWTPEHAW-UHOSZYNNSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001699577393 1405402259 /nfs/dbraw/zinc/40/22/59/1405402259.db2.gz GBGABWXQBZTVOP-MSOLQXFVSA-N 2 1 331.504 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001699577393 1405402262 /nfs/dbraw/zinc/40/22/62/1405402262.db2.gz GBGABWXQBZTVOP-MSOLQXFVSA-N 2 1 331.504 2.005 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001699884034 1405549690 /nfs/dbraw/zinc/54/96/90/1405549690.db2.gz AJIMGILZPDDYNT-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699943375 1405593286 /nfs/dbraw/zinc/59/32/86/1405593286.db2.gz HNCUFOQBIOMGNY-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)CC1(C)C ZINC000940807156 779317299 /nfs/dbraw/zinc/31/72/99/779317299.db2.gz IHQCRQVGHZHVGS-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC000940807156 779317301 /nfs/dbraw/zinc/31/73/01/779317301.db2.gz IHQCRQVGHZHVGS-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(=C)C)CC1(C)C ZINC000940807156 779317302 /nfs/dbraw/zinc/31/73/02/779317302.db2.gz IHQCRQVGHZHVGS-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(=C)C)CC1(C)C ZINC000940807156 779317304 /nfs/dbraw/zinc/31/73/04/779317304.db2.gz IHQCRQVGHZHVGS-ZWKOTPCHSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157560 779998898 /nfs/dbraw/zinc/99/88/98/779998898.db2.gz FDBJJEGDYRONDT-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157560 779998904 /nfs/dbraw/zinc/99/89/04/779998904.db2.gz FDBJJEGDYRONDT-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157560 779998909 /nfs/dbraw/zinc/99/89/09/779998909.db2.gz FDBJJEGDYRONDT-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157560 779998912 /nfs/dbraw/zinc/99/89/12/779998912.db2.gz FDBJJEGDYRONDT-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144703 789400835 /nfs/dbraw/zinc/40/08/35/789400835.db2.gz CIKSDQAXINZMDC-QGZVFWFLSA-N 2 1 341.503 2.418 10 30 EEEEMP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CC)C2 ZINC001566127381 1125575643 /nfs/dbraw/zinc/57/56/43/1125575643.db2.gz YATYLSGBXGYOEW-UHFFFAOYSA-N 2 1 336.505 2.035 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439113776 1091759467 /nfs/dbraw/zinc/75/94/67/1091759467.db2.gz ACQYPQNKEUVWPZ-CZUORRHYSA-N 2 1 334.489 2.088 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875728 1091802740 /nfs/dbraw/zinc/80/27/40/1091802740.db2.gz FPSHQGOJFKPVMH-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001445875728 1091802746 /nfs/dbraw/zinc/80/27/46/1091802746.db2.gz FPSHQGOJFKPVMH-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001445875728 1091802753 /nfs/dbraw/zinc/80/27/53/1091802753.db2.gz FPSHQGOJFKPVMH-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001448513209 1093539519 /nfs/dbraw/zinc/53/95/19/1093539519.db2.gz WJWLAPKOJKRPSE-QAQDUYKDSA-N 2 1 335.879 2.355 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001448513209 1093539525 /nfs/dbraw/zinc/53/95/25/1093539525.db2.gz WJWLAPKOJKRPSE-QAQDUYKDSA-N 2 1 335.879 2.355 10 30 EEEEMP CC(C)N(CCN(C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449254291 1094201875 /nfs/dbraw/zinc/20/18/75/1094201875.db2.gz BQJQWAWUZXJRPA-KRWDZBQOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[NH+]1C ZINC001449254291 1094201881 /nfs/dbraw/zinc/20/18/81/1094201881.db2.gz BQJQWAWUZXJRPA-KRWDZBQOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001449254291 1094201884 /nfs/dbraw/zinc/20/18/84/1094201884.db2.gz BQJQWAWUZXJRPA-KRWDZBQOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449254291 1094201888 /nfs/dbraw/zinc/20/18/88/1094201888.db2.gz BQJQWAWUZXJRPA-KRWDZBQOSA-N 2 1 348.516 2.383 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876495 1095997181 /nfs/dbraw/zinc/99/71/81/1095997181.db2.gz NVFVYZJGILPNRX-LPHOPBHVSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001479615923 1098639541 /nfs/dbraw/zinc/63/95/41/1098639541.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001479615923 1098639544 /nfs/dbraw/zinc/63/95/44/1098639544.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001479615923 1098639549 /nfs/dbraw/zinc/63/95/49/1098639549.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 2 1 331.504 2.099 10 30 EEEEMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001479979827 1099433630 /nfs/dbraw/zinc/43/36/30/1099433630.db2.gz AXZBYIWMGNTYMR-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCCCCC)C1 ZINC001480187503 1099782128 /nfs/dbraw/zinc/78/21/28/1099782128.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187503 1099782134 /nfs/dbraw/zinc/78/21/34/1099782134.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCCCCC)C1 ZINC001480187503 1099782140 /nfs/dbraw/zinc/78/21/40/1099782140.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 2 1 333.520 2.445 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472057 1100279592 /nfs/dbraw/zinc/27/95/92/1100279592.db2.gz MRKQNJQTIJIIML-APWZRJJASA-N 2 1 345.462 2.146 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030449 1103388098 /nfs/dbraw/zinc/38/80/98/1103388098.db2.gz OTFZGERFMBDJTI-INIZCTEOSA-N 2 1 339.911 2.443 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031950 1103840988 /nfs/dbraw/zinc/84/09/88/1103840988.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448031950 1103841005 /nfs/dbraw/zinc/84/10/05/1103841005.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448031950 1103841023 /nfs/dbraw/zinc/84/10/23/1103841023.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498337020 1107325240 /nfs/dbraw/zinc/32/52/40/1107325240.db2.gz GKAKCBJROQMWRJ-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC001461218342 1110337868 /nfs/dbraw/zinc/33/78/68/1110337868.db2.gz HBHVSTMRQMICKQ-SFHVURJKSA-N 2 1 338.459 2.030 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C)c1ccccc1CC ZINC001501020364 1113169550 /nfs/dbraw/zinc/16/95/50/1113169550.db2.gz ZQLGAKZALKNYQC-UXHICEINSA-N 2 1 339.483 2.280 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C)c1ccccc1CC ZINC001501020364 1113169552 /nfs/dbraw/zinc/16/95/52/1113169552.db2.gz ZQLGAKZALKNYQC-UXHICEINSA-N 2 1 339.483 2.280 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001502371780 1113649631 /nfs/dbraw/zinc/64/96/31/1113649631.db2.gz YAYHJDUYSNXCLP-UHFFFAOYSA-N 2 1 349.906 2.424 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001502423483 1113676848 /nfs/dbraw/zinc/67/68/48/1113676848.db2.gz GTTBLCZQGCMYPH-GOSISDBHSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503690135 1113899424 /nfs/dbraw/zinc/89/94/24/1113899424.db2.gz FEMXWJBJOZHASF-LJQANCHMSA-N 2 1 327.472 2.066 10 30 EEEEMP C=C(Br)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001507451396 1115277429 /nfs/dbraw/zinc/27/74/29/1115277429.db2.gz QPAKQVQADXPPCD-ZDUSSCGKSA-N 2 1 346.313 2.063 10 30 EEEEMP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001568000945 1124224293 /nfs/dbraw/zinc/22/42/93/1124224293.db2.gz MCYFJLBCURYVDN-MSOLQXFVSA-N 2 1 349.519 2.225 10 30 EEEEMP CCOC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882807 465272156 /nfs/dbraw/zinc/27/21/56/465272156.db2.gz MWVSKJQFHBEIJQ-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP CCOC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](COCC)C2)C1 ZINC000341882807 465272163 /nfs/dbraw/zinc/27/21/63/465272163.db2.gz MWVSKJQFHBEIJQ-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP CCOC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](COCC)C2)C1 ZINC000341882807 465272170 /nfs/dbraw/zinc/27/21/70/465272170.db2.gz MWVSKJQFHBEIJQ-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP C[C@]1(CCCO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000341908478 465274118 /nfs/dbraw/zinc/27/41/18/465274118.db2.gz DOPLFDNFLZKFQY-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP C[C@]1(CCCO)CCC[N@H+]1CC#CC[NH+]1CCC[C@@]1(C)CCCO ZINC000341908478 465274120 /nfs/dbraw/zinc/27/41/20/465274120.db2.gz DOPLFDNFLZKFQY-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP C[C@]1(CCCO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@@]1(C)CCCO ZINC000341908478 465274124 /nfs/dbraw/zinc/27/41/24/465274124.db2.gz DOPLFDNFLZKFQY-BGYRXZFFSA-N 2 1 336.520 2.244 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000129110018 462689537 /nfs/dbraw/zinc/68/95/37/462689537.db2.gz YFFYZKGRPRTADA-AEFFLSMTSA-N 2 1 336.524 2.399 10 30 EEEEMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000171527361 463876881 /nfs/dbraw/zinc/87/68/81/463876881.db2.gz FMFGOJOXQKJPLY-IBGZPJMESA-N 2 1 342.487 2.039 10 30 EEEEMP CCC[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(CO)CCC ZINC000515470376 467993976 /nfs/dbraw/zinc/99/39/76/467993976.db2.gz SMNCNQWTMLCCMX-WOJBJXKFSA-N 2 1 336.520 2.244 10 30 EEEEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436342 468585343 /nfs/dbraw/zinc/58/53/43/468585343.db2.gz DFMZMPSYQAEVCQ-MOPGFXCFSA-N 2 1 342.487 2.378 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000601817069 469038773 /nfs/dbraw/zinc/03/87/73/469038773.db2.gz LPCQKKSUZRYGKZ-MJGOQNOKSA-N 2 1 346.519 2.333 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262331101 679138482 /nfs/dbraw/zinc/13/84/82/679138482.db2.gz AZDHYVMBYWQLIE-MIEORUQNSA-N 2 1 348.535 2.370 10 30 EEEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570982 1191840085 /nfs/dbraw/zinc/84/00/85/1191840085.db2.gz XSWFRKMOIUGVGY-HOTGVXAUSA-N 2 1 330.476 2.238 10 30 EEEEMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001272701587 1191961569 /nfs/dbraw/zinc/96/15/69/1191961569.db2.gz XCCJSWMCVHAHJB-SJLPKXTDSA-N 2 1 327.472 2.319 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092647 1178222737 /nfs/dbraw/zinc/22/27/37/1178222737.db2.gz DTIUOZJXCJMHAQ-WOJBJXKFSA-N 2 1 341.499 2.395 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267182014 1178441579 /nfs/dbraw/zinc/44/15/79/1178441579.db2.gz SGOKTHVRPUCDMJ-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)CC#Cc2ccccc2Cl)C1 ZINC001267218034 1178523047 /nfs/dbraw/zinc/52/30/47/1178523047.db2.gz WQIQEPCKQHNINC-MRXNPFEDSA-N 2 1 347.890 2.081 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001267233404 1178560080 /nfs/dbraw/zinc/56/00/80/1178560080.db2.gz SZFRFZCOWMWCNR-UHFFFAOYSA-N 2 1 341.499 2.197 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001481038900 1179590125 /nfs/dbraw/zinc/59/01/25/1179590125.db2.gz HYGILTCHWGOVHT-QGZVFWFLSA-N 2 1 342.443 2.040 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001267779983 1180518363 /nfs/dbraw/zinc/51/83/63/1180518363.db2.gz YEAKGMWQPRQNPP-GHOSXJJBSA-N 2 1 331.504 2.221 10 30 EEEEMP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)Cc2cncn2C)CC1 ZINC001268201448 1182002916 /nfs/dbraw/zinc/00/29/16/1182002916.db2.gz OAUCNZNSNNJLOA-UHFFFAOYSA-N 2 1 332.492 2.489 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001268214882 1182024133 /nfs/dbraw/zinc/02/41/33/1182024133.db2.gz XNAXMABNTCHUOX-MJGOQNOKSA-N 2 1 333.520 2.395 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268549592 1183232164 /nfs/dbraw/zinc/23/21/64/1183232164.db2.gz QSBFCKHUDSQNLP-CWIOURORSA-N 2 1 346.500 2.256 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510928 1184332760 /nfs/dbraw/zinc/33/27/60/1184332760.db2.gz SYYKWDMTQIOORF-DLBZAZTESA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001270512015 1185136982 /nfs/dbraw/zinc/13/69/82/1185136982.db2.gz FYNQVIWBJIKKOK-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001270512015 1185136987 /nfs/dbraw/zinc/13/69/87/1185136987.db2.gz FYNQVIWBJIKKOK-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001484000700 1191150585 /nfs/dbraw/zinc/15/05/85/1191150585.db2.gz IUZRFYNXSPVZCQ-RTBURBONSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461303 1191365734 /nfs/dbraw/zinc/36/57/34/1191365734.db2.gz AJJKURYFFDPCAK-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001484461303 1191365736 /nfs/dbraw/zinc/36/57/36/1191365736.db2.gz AJJKURYFFDPCAK-RTBURBONSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001484561303 1191416268 /nfs/dbraw/zinc/41/62/68/1191416268.db2.gz AFKZDFBKQVRSNG-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001484561303 1191416270 /nfs/dbraw/zinc/41/62/70/1191416270.db2.gz AFKZDFBKQVRSNG-APWZRJJASA-N 2 1 345.487 2.250 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005606 1191612101 /nfs/dbraw/zinc/61/21/01/1191612101.db2.gz CQBROJIAIUUBSE-RBUKOAKNSA-N 2 1 329.488 2.474 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005606 1191612103 /nfs/dbraw/zinc/61/21/03/1191612103.db2.gz CQBROJIAIUUBSE-RBUKOAKNSA-N 2 1 329.488 2.474 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001485206439 1191693298 /nfs/dbraw/zinc/69/32/98/1191693298.db2.gz AZJHQBPRZAGAAF-GJZGRUSLSA-N 2 1 327.432 2.330 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185997 1193727255 /nfs/dbraw/zinc/72/72/55/1193727255.db2.gz FUKSREMYAIWBSE-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185997 1193727258 /nfs/dbraw/zinc/72/72/58/1193727258.db2.gz FUKSREMYAIWBSE-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185997 1193727260 /nfs/dbraw/zinc/72/72/60/1193727260.db2.gz FUKSREMYAIWBSE-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC001486243199 1193769336 /nfs/dbraw/zinc/76/93/36/1193769336.db2.gz FIRUVNRTUJVSFR-QGZVFWFLSA-N 2 1 339.443 2.284 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000866615080 1201560444 /nfs/dbraw/zinc/56/04/44/1201560444.db2.gz BBGZATABXMIXMO-UXHICEINSA-N 2 1 325.456 2.258 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773249 1201629046 /nfs/dbraw/zinc/62/90/46/1201629046.db2.gz OBHRASORKNQGPJ-QGZVFWFLSA-N 2 1 340.475 2.069 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275039029 1205241862 /nfs/dbraw/zinc/24/18/62/1205241862.db2.gz OWLCIZNPENNEIG-MJGOQNOKSA-N 2 1 327.472 2.007 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971858 1213934015 /nfs/dbraw/zinc/93/40/15/1213934015.db2.gz FFINMEQGPKXEAD-MRXNPFEDSA-N 2 1 327.476 2.407 10 30 EEEEMP CN1CCC(CNC(=[NH2+])N2CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000305048275 1216136908 /nfs/dbraw/zinc/13/69/08/1216136908.db2.gz GHPLJYGICAAKPA-UHFFFAOYSA-N 3 1 335.540 2.127 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679939 1291561196 /nfs/dbraw/zinc/56/11/96/1291561196.db2.gz QCCIIHNRLFHGLN-IAGOWNOFSA-N 2 1 346.500 2.088 10 30 EEEEMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388530 1297158615 /nfs/dbraw/zinc/15/86/15/1297158615.db2.gz ISANWCWYPUNTQU-LPHOPBHVSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001276921839 1300274425 /nfs/dbraw/zinc/27/44/25/1300274425.db2.gz PFBIDKMYLKZBOQ-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277147752 1301511547 /nfs/dbraw/zinc/51/15/47/1301511547.db2.gz GZBZQSVWIAWXRI-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560802 /nfs/dbraw/zinc/56/08/02/1303560802.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560809 /nfs/dbraw/zinc/56/08/09/1303560809.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560812 /nfs/dbraw/zinc/56/08/12/1303560812.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001119366520 1309057400 /nfs/dbraw/zinc/05/74/00/1309057400.db2.gz GHKFNRDKJJNPPE-SFHVURJKSA-N 2 1 346.519 2.134 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001119366520 1309057412 /nfs/dbraw/zinc/05/74/12/1309057412.db2.gz GHKFNRDKJJNPPE-SFHVURJKSA-N 2 1 346.519 2.134 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001278419892 1310182310 /nfs/dbraw/zinc/18/23/10/1310182310.db2.gz IMNGMNKMMNMXMW-IBGZPJMESA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001278419892 1310182316 /nfs/dbraw/zinc/18/23/16/1310182316.db2.gz IMNGMNKMMNMXMW-IBGZPJMESA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001278498466 1310829266 /nfs/dbraw/zinc/82/92/66/1310829266.db2.gz LFGKUYVDUVWCOU-NQIIRXRSSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278702628 1317793566 /nfs/dbraw/zinc/79/35/66/1317793566.db2.gz AUESPYUASVJFAO-KGLIPLIRSA-N 2 1 335.414 2.131 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281070282 1322178236 /nfs/dbraw/zinc/17/82/36/1322178236.db2.gz FTBBQPKVQKGFOM-LPHOPBHVSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281070282 1322178241 /nfs/dbraw/zinc/17/82/41/1322178241.db2.gz FTBBQPKVQKGFOM-LPHOPBHVSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281070282 1322178244 /nfs/dbraw/zinc/17/82/44/1322178244.db2.gz FTBBQPKVQKGFOM-LPHOPBHVSA-N 2 1 327.472 2.057 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281070282 1322178248 /nfs/dbraw/zinc/17/82/48/1322178248.db2.gz FTBBQPKVQKGFOM-LPHOPBHVSA-N 2 1 327.472 2.057 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264036592 1322594557 /nfs/dbraw/zinc/59/45/57/1322594557.db2.gz BOPBOEHKBSBTFO-VAMGGRTRSA-N 2 1 341.499 2.180 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264036592 1322594559 /nfs/dbraw/zinc/59/45/59/1322594559.db2.gz BOPBOEHKBSBTFO-VAMGGRTRSA-N 2 1 341.499 2.180 10 30 EEEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001264120877 1322633082 /nfs/dbraw/zinc/63/30/82/1322633082.db2.gz SOTOPVWPGDEABI-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765709 /nfs/dbraw/zinc/76/57/09/1322765709.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765713 /nfs/dbraw/zinc/76/57/13/1322765713.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765717 /nfs/dbraw/zinc/76/57/17/1322765717.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 2 1 345.531 2.445 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001265073163 1322907768 /nfs/dbraw/zinc/90/77/68/1322907768.db2.gz SBLZPXUZMSARRD-UHFFFAOYSA-N 2 1 341.499 2.352 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265303790 1323055436 /nfs/dbraw/zinc/05/54/36/1323055436.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303790 1323055441 /nfs/dbraw/zinc/05/54/41/1323055441.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303790 1323055445 /nfs/dbraw/zinc/05/54/45/1323055445.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 2 1 325.472 2.356 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCCC)C1 ZINC001265613373 1323267086 /nfs/dbraw/zinc/26/70/86/1323267086.db2.gz NSIJKMWNEVIDBE-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCCC)C1 ZINC001265613373 1323267087 /nfs/dbraw/zinc/26/70/87/1323267087.db2.gz NSIJKMWNEVIDBE-OALUTQOASA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)c(F)c1 ZINC001279722675 1323985982 /nfs/dbraw/zinc/98/59/82/1323985982.db2.gz NFMBLDFRUPFVDX-UHFFFAOYSA-N 2 1 342.418 2.185 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001281776061 1325446498 /nfs/dbraw/zinc/44/64/98/1325446498.db2.gz HCNBRQZNJXDYTI-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001281776061 1325446506 /nfs/dbraw/zinc/44/65/06/1325446506.db2.gz HCNBRQZNJXDYTI-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316772444 1331885185 /nfs/dbraw/zinc/88/51/85/1331885185.db2.gz PQZWYQHVKKNVKG-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001316956507 1332015544 /nfs/dbraw/zinc/01/55/44/1332015544.db2.gz QHPVRHUQQKMNPL-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001316956507 1332015545 /nfs/dbraw/zinc/01/55/45/1332015545.db2.gz QHPVRHUQQKMNPL-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001316956507 1332015547 /nfs/dbraw/zinc/01/55/47/1332015547.db2.gz QHPVRHUQQKMNPL-QGZVFWFLSA-N 2 1 339.443 2.428 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001317369197 1332198794 /nfs/dbraw/zinc/19/87/94/1332198794.db2.gz WOXLRZLXSWIYTK-PMACEKPBSA-N 2 1 339.483 2.085 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317424586 1332228061 /nfs/dbraw/zinc/22/80/61/1332228061.db2.gz RJBCLADAEBFODN-GOSISDBHSA-N 2 1 331.504 2.247 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)CC(C)C)CC1 ZINC001318228821 1332493184 /nfs/dbraw/zinc/49/31/84/1332493184.db2.gz SNYZMPIGXXDMSO-HOJAQTOUSA-N 2 1 345.531 2.299 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001319241477 1332669792 /nfs/dbraw/zinc/66/97/92/1332669792.db2.gz CVGUBUXUZSCSML-QRQLOZEOSA-N 2 1 329.488 2.250 10 30 EEEEMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001321098464 1333019650 /nfs/dbraw/zinc/01/96/50/1333019650.db2.gz WQBZULVYIZIUIV-GWQWAINWSA-N 2 1 346.500 2.256 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001324378194 1333669479 /nfs/dbraw/zinc/66/94/79/1333669479.db2.gz VNCJERCHWWKWIS-IBGZPJMESA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470222 1334099653 /nfs/dbraw/zinc/09/96/53/1334099653.db2.gz ZAUUISKNUNEAED-LPHOPBHVSA-N 2 1 327.472 2.459 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765313 1334516797 /nfs/dbraw/zinc/51/67/97/1334516797.db2.gz PPUHOPZODBTWGH-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765313 1334516798 /nfs/dbraw/zinc/51/67/98/1334516798.db2.gz PPUHOPZODBTWGH-IAGOWNOFSA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001329935914 1334743619 /nfs/dbraw/zinc/74/36/19/1334743619.db2.gz IDPFXEJVVDGVSV-KRWDZBQOSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001338491943 1336868026 /nfs/dbraw/zinc/86/80/26/1336868026.db2.gz QCKWLOMGJJKBSK-GFCCVEGCSA-N 2 1 328.325 2.012 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849351 1337652597 /nfs/dbraw/zinc/65/25/97/1337652597.db2.gz LSQHDCIMMYDQSC-GOSISDBHSA-N 2 1 346.519 2.134 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849351 1337652602 /nfs/dbraw/zinc/65/26/02/1337652602.db2.gz LSQHDCIMMYDQSC-GOSISDBHSA-N 2 1 346.519 2.134 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001566939538 1342655295 /nfs/dbraw/zinc/65/52/95/1342655295.db2.gz FIQQYONEWNJHHQ-RTBURBONSA-N 2 1 331.504 2.387 10 30 EEEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198449 1342710045 /nfs/dbraw/zinc/71/00/45/1342710045.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001567198449 1342710049 /nfs/dbraw/zinc/71/00/49/1342710049.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001567198449 1342710054 /nfs/dbraw/zinc/71/00/54/1342710054.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001676018626 1357089996 /nfs/dbraw/zinc/08/99/96/1357089996.db2.gz QDWOMCARDXQVIC-OAHLLOKOSA-N 2 1 339.443 2.138 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001571392052 1343202528 /nfs/dbraw/zinc/20/25/28/1343202528.db2.gz OGDVTPYFXIDBFN-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001571392052 1343202530 /nfs/dbraw/zinc/20/25/30/1343202530.db2.gz OGDVTPYFXIDBFN-QUCCMNQESA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001676364475 1357141070 /nfs/dbraw/zinc/14/10/70/1357141070.db2.gz JUVYVAVLUIWZJD-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001676364475 1357141071 /nfs/dbraw/zinc/14/10/71/1357141071.db2.gz JUVYVAVLUIWZJD-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001677404072 1357328538 /nfs/dbraw/zinc/32/85/38/1357328538.db2.gz ZUUYIAJZJQDCOC-KVZIAJEVSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c(F)c1 ZINC001677642479 1357381258 /nfs/dbraw/zinc/38/12/58/1357381258.db2.gz CBNXMRHBEUTFQK-IEBWSBKVSA-N 2 1 343.446 2.182 10 30 EEEEMP C#C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001648563242 1353434229 /nfs/dbraw/zinc/43/42/29/1353434229.db2.gz FARHEXGSBRHYAC-FQEVSTJZSA-N 2 1 339.483 2.386 10 30 EEEEMP C#C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001648563242 1353434232 /nfs/dbraw/zinc/43/42/32/1353434232.db2.gz FARHEXGSBRHYAC-FQEVSTJZSA-N 2 1 339.483 2.386 10 30 EEEEMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001649439811 1353506012 /nfs/dbraw/zinc/50/60/12/1353506012.db2.gz HZWQZRABNIOSFJ-INIZCTEOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001660464776 1354468669 /nfs/dbraw/zinc/46/86/69/1354468669.db2.gz LVHXHDSDRDOZFC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001661034577 1354577135 /nfs/dbraw/zinc/57/71/35/1354577135.db2.gz IOHXHMHOSUAXLB-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001661034577 1354577137 /nfs/dbraw/zinc/57/71/37/1354577137.db2.gz IOHXHMHOSUAXLB-KRWDZBQOSA-N 2 1 346.450 2.120 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001664241850 1355120474 /nfs/dbraw/zinc/12/04/74/1355120474.db2.gz XCDPWRDIGAXHBV-PBHICJAKSA-N 2 1 346.500 2.185 10 30 EEEEMP C=CCC[N@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001673454272 1355265232 /nfs/dbraw/zinc/26/52/32/1355265232.db2.gz FSLIWCYGYQHCFY-UHFFFAOYSA-N 2 1 327.432 2.237 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001665829201 1355396395 /nfs/dbraw/zinc/39/63/95/1355396395.db2.gz URIVEUMFOKVQSS-ZWKOTPCHSA-N 2 1 347.890 2.270 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001667416642 1355738722 /nfs/dbraw/zinc/73/87/22/1355738722.db2.gz CNOSNOIQDQJLQM-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001667751236 1355806429 /nfs/dbraw/zinc/80/64/29/1355806429.db2.gz IMNOWBIRPJIVAK-WBVHZDCISA-N 2 1 346.475 2.335 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001672806600 1356589032 /nfs/dbraw/zinc/58/90/32/1356589032.db2.gz YRNBBDPCSPRMRY-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001672929751 1356616839 /nfs/dbraw/zinc/61/68/39/1356616839.db2.gz PUKNBEMJUIXPIB-WOJBJXKFSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001672929751 1356616843 /nfs/dbraw/zinc/61/68/43/1356616843.db2.gz PUKNBEMJUIXPIB-WOJBJXKFSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001672929751 1356616845 /nfs/dbraw/zinc/61/68/45/1356616845.db2.gz PUKNBEMJUIXPIB-WOJBJXKFSA-N 2 1 339.483 2.385 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001673288734 1356661897 /nfs/dbraw/zinc/66/18/97/1356661897.db2.gz OCNCAZWCOVZHBP-KRWDZBQOSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001698956331 1405187856 /nfs/dbraw/zinc/18/78/56/1405187856.db2.gz SUXDYWICEUWIOF-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001698956331 1405187865 /nfs/dbraw/zinc/18/78/65/1405187865.db2.gz SUXDYWICEUWIOF-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001698956331 1405187872 /nfs/dbraw/zinc/18/78/72/1405187872.db2.gz SUXDYWICEUWIOF-FQEVSTJZSA-N 2 1 331.504 2.056 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001565970673 1125478682 /nfs/dbraw/zinc/47/86/82/1125478682.db2.gz HGEAHVDXISZNKZ-QRVBRYPASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001566461910 1125621888 /nfs/dbraw/zinc/62/18/88/1125621888.db2.gz MHLWDKRCBOMBTN-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001566461910 1125621891 /nfs/dbraw/zinc/62/18/91/1125621891.db2.gz MHLWDKRCBOMBTN-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001566461910 1125621896 /nfs/dbraw/zinc/62/18/96/1125621896.db2.gz MHLWDKRCBOMBTN-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001566461910 1125621900 /nfs/dbraw/zinc/62/19/00/1125621900.db2.gz MHLWDKRCBOMBTN-LPHOPBHVSA-N 2 1 345.462 2.422 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001438809413 1091422765 /nfs/dbraw/zinc/42/27/65/1091422765.db2.gz KPDBNAQVHQVYPE-ZBFHGGJFSA-N 2 1 338.883 2.237 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001439110301 1091753739 /nfs/dbraw/zinc/75/37/39/1091753739.db2.gz MAPVQRUWCQTKAB-RDTXWAMCSA-N 2 1 346.450 2.164 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001439110301 1091753746 /nfs/dbraw/zinc/75/37/46/1091753746.db2.gz MAPVQRUWCQTKAB-RDTXWAMCSA-N 2 1 346.450 2.164 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001444857579 1099846750 /nfs/dbraw/zinc/84/67/50/1099846750.db2.gz GGFLWDAYMIMPEL-MSOLQXFVSA-N 2 1 346.450 2.022 10 30 EEEEMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001444988270 1100117280 /nfs/dbraw/zinc/11/72/80/1100117280.db2.gz BXUGINGQDULBDS-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001444988270 1100117286 /nfs/dbraw/zinc/11/72/86/1100117286.db2.gz BXUGINGQDULBDS-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001444988270 1100117294 /nfs/dbraw/zinc/11/72/94/1100117294.db2.gz BXUGINGQDULBDS-LJQANCHMSA-N 2 1 342.487 2.323 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001446580479 1101069340 /nfs/dbraw/zinc/06/93/40/1101069340.db2.gz UXHAYENZJJIJOI-UXLLHSPISA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146542 1102134287 /nfs/dbraw/zinc/13/42/87/1102134287.db2.gz YFAGVMTWHSBUSR-NSHGMRRFSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497252202 1102195576 /nfs/dbraw/zinc/19/55/76/1102195576.db2.gz KMWWUWIPQMLHAP-KDOFPFPSSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334034 1102341803 /nfs/dbraw/zinc/34/18/03/1102341803.db2.gz WIIVAIDWJVUKBV-AWEZNQCLSA-N 2 1 334.439 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CC)cc1 ZINC001497598573 1102726455 /nfs/dbraw/zinc/72/64/55/1102726455.db2.gz CCZCGSHODOUVKN-PRPIBZDOSA-N 2 1 339.483 2.109 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CC)cc1 ZINC001497598573 1102726463 /nfs/dbraw/zinc/72/64/63/1102726463.db2.gz CCZCGSHODOUVKN-PRPIBZDOSA-N 2 1 339.483 2.109 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031918 1103840655 /nfs/dbraw/zinc/84/06/55/1103840655.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448031918 1103840672 /nfs/dbraw/zinc/84/06/72/1103840672.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448031918 1103840690 /nfs/dbraw/zinc/84/06/90/1103840690.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039072 1103868780 /nfs/dbraw/zinc/86/87/80/1103868780.db2.gz MOHCIKXKJZXOHE-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)s1 ZINC001448039072 1103868793 /nfs/dbraw/zinc/86/87/93/1103868793.db2.gz MOHCIKXKJZXOHE-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001448039072 1103868798 /nfs/dbraw/zinc/86/87/98/1103868798.db2.gz MOHCIKXKJZXOHE-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001448039072 1103868808 /nfs/dbraw/zinc/86/88/08/1103868808.db2.gz MOHCIKXKJZXOHE-PBHICJAKSA-N 2 1 348.516 2.431 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001493846972 1108729491 /nfs/dbraw/zinc/72/94/91/1108729491.db2.gz MLVZTYLEGNKKAM-HUUCEWRRSA-N 2 1 327.900 2.297 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001499330680 1112237045 /nfs/dbraw/zinc/23/70/45/1112237045.db2.gz URHIOEBONYAEBC-HOCLYGCPSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001499523040 1112339761 /nfs/dbraw/zinc/33/97/61/1112339761.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 1 330.476 2.363 10 30 EEEEMP C#CC[N@@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001499523040 1112339765 /nfs/dbraw/zinc/33/97/65/1112339765.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 1 330.476 2.363 10 30 EEEEMP C#CC[N@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001499523040 1112339772 /nfs/dbraw/zinc/33/97/72/1112339772.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 1 330.476 2.363 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001499915497 1112539439 /nfs/dbraw/zinc/53/94/39/1112539439.db2.gz BTVBTORPGONJBR-PMACEKPBSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001500029296 1112584438 /nfs/dbraw/zinc/58/44/38/1112584438.db2.gz IRSCQMQIMHFUEU-IBGZPJMESA-N 2 1 345.531 2.443 10 30 EEEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001501232556 1113254460 /nfs/dbraw/zinc/25/44/60/1113254460.db2.gz JLMYIHYMGXRMSD-CALCHBBNSA-N 2 1 330.476 2.363 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001501232556 1113254463 /nfs/dbraw/zinc/25/44/63/1113254463.db2.gz JLMYIHYMGXRMSD-CALCHBBNSA-N 2 1 330.476 2.363 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507027748 1115065541 /nfs/dbraw/zinc/06/55/41/1115065541.db2.gz LFCJLYSBWNXAOF-VQIMIIECSA-N 2 1 337.483 2.049 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081243 1115098272 /nfs/dbraw/zinc/09/82/72/1115098272.db2.gz BKLKMPAGNVCERX-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001568072058 1124276861 /nfs/dbraw/zinc/27/68/61/1124276861.db2.gz IBTJUTPLWGANSX-MRXNPFEDSA-N 2 1 339.443 2.285 10 30 EEEEMP CN1CCC(CNC(=[NH2+])NC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000262508120 464031427 /nfs/dbraw/zinc/03/14/27/464031427.db2.gz BWPBSTOBECUEDI-UHFFFAOYSA-N 2 1 335.540 2.174 10 30 EEEEMP CCO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451549512 467259568 /nfs/dbraw/zinc/25/95/68/467259568.db2.gz WBYJLCPTWZPWFR-JVSBHGNQSA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451549512 467259571 /nfs/dbraw/zinc/25/95/71/467259571.db2.gz WBYJLCPTWZPWFR-JVSBHGNQSA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451549512 467259577 /nfs/dbraw/zinc/25/95/77/467259577.db2.gz WBYJLCPTWZPWFR-JVSBHGNQSA-N 2 1 336.520 2.484 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437892 468586223 /nfs/dbraw/zinc/58/62/23/468586223.db2.gz QAQOPVMWUNISHA-NJAFHUGGSA-N 2 1 328.460 2.034 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594439357 468588275 /nfs/dbraw/zinc/58/82/75/468588275.db2.gz UTWPKHBFSWEBPM-WBVHZDCISA-N 2 1 348.516 2.488 10 30 EEEEMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358554 469225390 /nfs/dbraw/zinc/22/53/90/469225390.db2.gz FBWWKGKVMRLZKM-SCTDSRPQSA-N 2 1 349.519 2.300 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794804 472254829 /nfs/dbraw/zinc/25/48/29/472254829.db2.gz UBUNEKXWQDHVNN-YVWKXTFCSA-N 2 1 327.472 2.321 10 30 EEEEMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261953669 682622929 /nfs/dbraw/zinc/62/29/29/682622929.db2.gz IDWNSMORKDEDNO-ZIAGYGMSSA-N 2 1 335.496 2.366 10 30 EEEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261957296 682636222 /nfs/dbraw/zinc/63/62/22/682636222.db2.gz JEDLSNWHZUIXMG-FIDHJVLJSA-N 2 1 336.524 2.084 10 30 EEEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485658972 1191879354 /nfs/dbraw/zinc/87/93/54/1191879354.db2.gz WOCYIQQTMWLLIL-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001485658972 1191879357 /nfs/dbraw/zinc/87/93/57/1191879357.db2.gz WOCYIQQTMWLLIL-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001266352575 1176377905 /nfs/dbraw/zinc/37/79/05/1176377905.db2.gz DJXXDTAEYIURNT-SFHVURJKSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001691023433 1176507940 /nfs/dbraw/zinc/50/79/40/1176507940.db2.gz DOBSGYFKZLQANM-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001691023433 1176507946 /nfs/dbraw/zinc/50/79/46/1176507946.db2.gz DOBSGYFKZLQANM-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1 ZINC001691023433 1176507949 /nfs/dbraw/zinc/50/79/49/1176507949.db2.gz DOBSGYFKZLQANM-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1 ZINC001691023433 1176507956 /nfs/dbraw/zinc/50/79/56/1176507956.db2.gz DOBSGYFKZLQANM-IBGZPJMESA-N 2 1 327.472 2.031 10 30 EEEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855997 1177582059 /nfs/dbraw/zinc/58/20/59/1177582059.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855997 1177582065 /nfs/dbraw/zinc/58/20/65/1177582065.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266855997 1177582069 /nfs/dbraw/zinc/58/20/69/1177582069.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266949442 1177874165 /nfs/dbraw/zinc/87/41/65/1177874165.db2.gz OTFVNEZNGOKBTF-QUCCMNQESA-N 2 1 341.499 2.253 10 30 EEEEMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001691374448 1177979916 /nfs/dbraw/zinc/97/99/16/1177979916.db2.gz ZPBLSSWELJERKA-CQSZACIVSA-N 2 1 346.313 2.063 10 30 EEEEMP C=CCC[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001268023572 1181026343 /nfs/dbraw/zinc/02/63/43/1181026343.db2.gz MPNBEYFAVULGMA-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001268023572 1181026347 /nfs/dbraw/zinc/02/63/47/1181026347.db2.gz MPNBEYFAVULGMA-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001268023572 1181026351 /nfs/dbraw/zinc/02/63/51/1181026351.db2.gz MPNBEYFAVULGMA-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001268023572 1181026355 /nfs/dbraw/zinc/02/63/55/1181026355.db2.gz MPNBEYFAVULGMA-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001268373001 1182377826 /nfs/dbraw/zinc/37/78/26/1182377826.db2.gz JSDYXYFCYAKDSK-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001268373001 1182377835 /nfs/dbraw/zinc/37/78/35/1182377835.db2.gz JSDYXYFCYAKDSK-WMZOPIPTSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740942 1182468304 /nfs/dbraw/zinc/46/83/04/1182468304.db2.gz GPSOWOGKSHZPMU-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001481740942 1182468307 /nfs/dbraw/zinc/46/83/07/1182468307.db2.gz GPSOWOGKSHZPMU-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481912994 1182937059 /nfs/dbraw/zinc/93/70/59/1182937059.db2.gz UZTBVMPKGJIVGV-IRXDYDNUSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481912994 1182937063 /nfs/dbraw/zinc/93/70/63/1182937063.db2.gz UZTBVMPKGJIVGV-IRXDYDNUSA-N 2 1 337.508 2.080 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268646022 1183575869 /nfs/dbraw/zinc/57/58/69/1183575869.db2.gz MZVZEMHZBFXFAI-VQIMIIECSA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1csc(C)c1 ZINC001269417248 1184252775 /nfs/dbraw/zinc/25/27/75/1184252775.db2.gz FEBPNALDCKQAEA-IRXDYDNUSA-N 2 1 333.501 2.139 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1csc(C)c1 ZINC001269417248 1184252779 /nfs/dbraw/zinc/25/27/79/1184252779.db2.gz FEBPNALDCKQAEA-IRXDYDNUSA-N 2 1 333.501 2.139 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001269798089 1184626936 /nfs/dbraw/zinc/62/69/36/1184626936.db2.gz HLDPGOFREFSXGF-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001482480742 1186063034 /nfs/dbraw/zinc/06/30/34/1186063034.db2.gz NBXFGDCOEMNCNB-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001272763855 1193485570 /nfs/dbraw/zinc/48/55/70/1193485570.db2.gz XAFIUNGCVRLWRH-GPMSIDNRSA-N 2 1 337.483 2.097 10 30 EEEEMP CC#CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001484612091 1191437316 /nfs/dbraw/zinc/43/73/16/1191437316.db2.gz HLACHBASFGLUOY-IBGZPJMESA-N 2 1 327.472 2.024 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771263 1191514062 /nfs/dbraw/zinc/51/40/62/1191514062.db2.gz QTIXMCIACGYWDE-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001486446639 1193961195 /nfs/dbraw/zinc/96/11/95/1193961195.db2.gz SZAPEVPALOQAEO-HOTGVXAUSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC001486490927 1194003142 /nfs/dbraw/zinc/00/31/42/1194003142.db2.gz LAPJHIZUSWDBMD-UHFFFAOYSA-N 2 1 328.460 2.001 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001275573942 1205423230 /nfs/dbraw/zinc/42/32/30/1205423230.db2.gz KOWHDTBELZGEOZ-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001275573942 1205423232 /nfs/dbraw/zinc/42/32/32/1205423232.db2.gz KOWHDTBELZGEOZ-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001275573942 1205423233 /nfs/dbraw/zinc/42/32/33/1205423233.db2.gz KOWHDTBELZGEOZ-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001275573942 1205423235 /nfs/dbraw/zinc/42/32/35/1205423235.db2.gz KOWHDTBELZGEOZ-YBGNTVOFSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1CC ZINC001275850089 1205565218 /nfs/dbraw/zinc/56/52/18/1205565218.db2.gz KQJGSJYZZBKQFK-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1CC ZINC001275850089 1205565219 /nfs/dbraw/zinc/56/52/19/1205565219.db2.gz KQJGSJYZZBKQFK-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1CC ZINC001275850089 1205565220 /nfs/dbraw/zinc/56/52/20/1205565220.db2.gz KQJGSJYZZBKQFK-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1CC ZINC001275850089 1205565221 /nfs/dbraw/zinc/56/52/21/1205565221.db2.gz KQJGSJYZZBKQFK-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902725845 1238325051 /nfs/dbraw/zinc/32/50/51/1238325051.db2.gz GUEQFTFRWXWTPA-GOSISDBHSA-N 2 1 349.482 2.422 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490204098 1290997015 /nfs/dbraw/zinc/99/70/15/1290997015.db2.gz FBMYWMNYGGSCLD-KRWDZBQOSA-N 2 1 348.516 2.432 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001490204098 1290997018 /nfs/dbraw/zinc/99/70/18/1290997018.db2.gz FBMYWMNYGGSCLD-KRWDZBQOSA-N 2 1 348.516 2.432 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001490204098 1290997027 /nfs/dbraw/zinc/99/70/27/1290997027.db2.gz FBMYWMNYGGSCLD-KRWDZBQOSA-N 2 1 348.516 2.432 10 30 EEEEMP C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886940 1292225483 /nfs/dbraw/zinc/22/54/83/1292225483.db2.gz ZZUMEGVNWIQBKE-IEBWSBKVSA-N 2 1 345.874 2.204 10 30 EEEEMP C[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886940 1292225489 /nfs/dbraw/zinc/22/54/89/1292225489.db2.gz ZZUMEGVNWIQBKE-IEBWSBKVSA-N 2 1 345.874 2.204 10 30 EEEEMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001277537441 1303851495 /nfs/dbraw/zinc/85/14/95/1303851495.db2.gz DJBKWGBMMKRGET-FPOVZHCZSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537441 1303851504 /nfs/dbraw/zinc/85/15/04/1303851504.db2.gz DJBKWGBMMKRGET-FPOVZHCZSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537441 1303851507 /nfs/dbraw/zinc/85/15/07/1303851507.db2.gz DJBKWGBMMKRGET-FPOVZHCZSA-N 2 1 339.483 2.237 10 30 EEEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001277587174 1303947310 /nfs/dbraw/zinc/94/73/10/1303947310.db2.gz LEFARJOXBXYRKZ-FUHWJXTLSA-N 2 1 332.492 2.451 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC001278299392 1309137589 /nfs/dbraw/zinc/13/75/89/1309137589.db2.gz BFVQHBZTORZXNC-NVXWUHKLSA-N 2 1 346.475 2.429 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001278419893 1310182947 /nfs/dbraw/zinc/18/29/47/1310182947.db2.gz IMNGMNKMMNMXMW-LJQANCHMSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001278419893 1310182954 /nfs/dbraw/zinc/18/29/54/1310182954.db2.gz IMNGMNKMMNMXMW-LJQANCHMSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303784 1323055278 /nfs/dbraw/zinc/05/52/78/1323055278.db2.gz PAWHGNDJIPAYER-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303784 1323055286 /nfs/dbraw/zinc/05/52/86/1323055286.db2.gz PAWHGNDJIPAYER-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303784 1323055294 /nfs/dbraw/zinc/05/52/94/1323055294.db2.gz PAWHGNDJIPAYER-AQNXPRMDSA-N 2 1 341.499 2.489 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265396277 1323127101 /nfs/dbraw/zinc/12/71/01/1323127101.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396277 1323127108 /nfs/dbraw/zinc/12/71/08/1323127108.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396277 1323127111 /nfs/dbraw/zinc/12/71/11/1323127111.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281969661 1325544557 /nfs/dbraw/zinc/54/45/57/1325544557.db2.gz WFYYETLNTANERO-HXUWFJFHSA-N 2 1 339.483 2.057 10 30 EEEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(C)C ZINC001282549465 1325739862 /nfs/dbraw/zinc/73/98/62/1325739862.db2.gz FYYXIAMDMBNSBN-MAUKXSAKSA-N 2 1 347.507 2.439 10 30 EEEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(C)C ZINC001282549465 1325739865 /nfs/dbraw/zinc/73/98/65/1325739865.db2.gz FYYXIAMDMBNSBN-MAUKXSAKSA-N 2 1 347.507 2.439 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001491834642 1330268570 /nfs/dbraw/zinc/26/85/70/1330268570.db2.gz KUFGEQGULBNJJF-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001492111010 1330479252 /nfs/dbraw/zinc/47/92/52/1330479252.db2.gz YMQQIZWGYWQPNY-GDBMZVCRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001316700029 1331808447 /nfs/dbraw/zinc/80/84/47/1331808447.db2.gz WDVIJDXIGSNXRN-RVKKMQEKSA-N 2 1 345.491 2.193 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001316700029 1331808452 /nfs/dbraw/zinc/80/84/52/1331808452.db2.gz WDVIJDXIGSNXRN-RVKKMQEKSA-N 2 1 345.491 2.193 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001316956506 1332015335 /nfs/dbraw/zinc/01/53/35/1332015335.db2.gz QHPVRHUQQKMNPL-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001316956506 1332015336 /nfs/dbraw/zinc/01/53/36/1332015336.db2.gz QHPVRHUQQKMNPL-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001316956506 1332015339 /nfs/dbraw/zinc/01/53/39/1332015339.db2.gz QHPVRHUQQKMNPL-KRWDZBQOSA-N 2 1 339.443 2.428 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001317050122 1332060863 /nfs/dbraw/zinc/06/08/63/1332060863.db2.gz QVEBAKLWLVHBSA-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317050122 1332060867 /nfs/dbraw/zinc/06/08/67/1332060867.db2.gz QVEBAKLWLVHBSA-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317050122 1332060868 /nfs/dbraw/zinc/06/08/68/1332060868.db2.gz QVEBAKLWLVHBSA-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001317050122 1332060870 /nfs/dbraw/zinc/06/08/70/1332060870.db2.gz QVEBAKLWLVHBSA-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001317292740 1332167143 /nfs/dbraw/zinc/16/71/43/1332167143.db2.gz CAZNCEQEMPJEKF-NQIIRXRSSA-N 2 1 349.478 2.435 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317354016 1332191391 /nfs/dbraw/zinc/19/13/91/1332191391.db2.gz BBHZVBXGTOCORK-CABCVRRESA-N 2 1 334.464 2.333 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840838 1332427969 /nfs/dbraw/zinc/42/79/69/1332427969.db2.gz VZRRRACDGNWCMI-QAPCUYQASA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001317840838 1332427971 /nfs/dbraw/zinc/42/79/71/1332427971.db2.gz VZRRRACDGNWCMI-QAPCUYQASA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317840838 1332427973 /nfs/dbraw/zinc/42/79/73/1332427973.db2.gz VZRRRACDGNWCMI-QAPCUYQASA-N 2 1 345.491 2.146 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317840838 1332427974 /nfs/dbraw/zinc/42/79/74/1332427974.db2.gz VZRRRACDGNWCMI-QAPCUYQASA-N 2 1 345.491 2.146 10 30 EEEEMP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001318408360 1332527621 /nfs/dbraw/zinc/52/76/21/1332527621.db2.gz WSXQLWSPFLIVBM-HXUWFJFHSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001318408360 1332527623 /nfs/dbraw/zinc/52/76/23/1332527623.db2.gz WSXQLWSPFLIVBM-HXUWFJFHSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318408360 1332527626 /nfs/dbraw/zinc/52/76/26/1332527626.db2.gz WSXQLWSPFLIVBM-HXUWFJFHSA-N 2 1 339.483 2.055 10 30 EEEEMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001318408360 1332527630 /nfs/dbraw/zinc/52/76/30/1332527630.db2.gz WSXQLWSPFLIVBM-HXUWFJFHSA-N 2 1 339.483 2.055 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001319817437 1332775440 /nfs/dbraw/zinc/77/54/40/1332775440.db2.gz AFZHDYDGHLYDMG-HZPDHXFCSA-N 2 1 346.475 2.287 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001320451216 1332887205 /nfs/dbraw/zinc/88/72/05/1332887205.db2.gz UYOAXMLFWBMXDT-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001320451216 1332887206 /nfs/dbraw/zinc/88/72/06/1332887206.db2.gz UYOAXMLFWBMXDT-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001322516128 1333274846 /nfs/dbraw/zinc/27/48/46/1333274846.db2.gz BBLMJOQVGVRZEV-KRWDZBQOSA-N 2 1 333.480 2.194 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001322516128 1333274849 /nfs/dbraw/zinc/27/48/49/1333274849.db2.gz BBLMJOQVGVRZEV-KRWDZBQOSA-N 2 1 333.480 2.194 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC(C)C)C2)CC1 ZINC001324673668 1333736992 /nfs/dbraw/zinc/73/69/92/1333736992.db2.gz NBDVAOBZJMGXJL-FQEVSTJZSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001324936968 1333791052 /nfs/dbraw/zinc/79/10/52/1333791052.db2.gz QWLWTZNJPRUJRT-GHTZIAJQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936968 1333791055 /nfs/dbraw/zinc/79/10/55/1333791055.db2.gz QWLWTZNJPRUJRT-GHTZIAJQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001324936968 1333791057 /nfs/dbraw/zinc/79/10/57/1333791057.db2.gz QWLWTZNJPRUJRT-GHTZIAJQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001328734010 1334510564 /nfs/dbraw/zinc/51/05/64/1334510564.db2.gz URGLDPPYDLJOMS-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001328734010 1334510566 /nfs/dbraw/zinc/51/05/66/1334510566.db2.gz URGLDPPYDLJOMS-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001328734010 1334510569 /nfs/dbraw/zinc/51/05/69/1334510569.db2.gz URGLDPPYDLJOMS-OALUTQOASA-N 2 1 331.504 2.340 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458536 1335828511 /nfs/dbraw/zinc/82/85/11/1335828511.db2.gz HWSAISIGOAPRMZ-DZGCQCFKSA-N 2 1 347.425 2.273 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001618813025 1352353729 /nfs/dbraw/zinc/35/37/29/1352353729.db2.gz BULCPZNZVIJYBS-KRWDZBQOSA-N 2 1 339.549 2.170 10 30 EEEEMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566877893 1342646123 /nfs/dbraw/zinc/64/61/23/1342646123.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877893 1342646125 /nfs/dbraw/zinc/64/61/25/1342646125.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001566877893 1342646126 /nfs/dbraw/zinc/64/61/26/1342646126.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588299 1342904068 /nfs/dbraw/zinc/90/40/68/1342904068.db2.gz CRTDDLWPBUFTLG-IEBWSBKVSA-N 2 1 349.494 2.289 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC/C=C\CCC)C[C@@H]2C1 ZINC001569877171 1342966538 /nfs/dbraw/zinc/96/65/38/1342966538.db2.gz FFWDTWSMSCUKEM-QOJNPXKOSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC/C=C\CCC)C[C@@H]2C1 ZINC001569877171 1342966540 /nfs/dbraw/zinc/96/65/40/1342966540.db2.gz FFWDTWSMSCUKEM-QOJNPXKOSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C\CCC)C[C@@H]2C1 ZINC001569877171 1342966542 /nfs/dbraw/zinc/96/65/42/1342966542.db2.gz FFWDTWSMSCUKEM-QOJNPXKOSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC/C=C\CCC)C[C@@H]2C1 ZINC001569877171 1342966545 /nfs/dbraw/zinc/96/65/45/1342966545.db2.gz FFWDTWSMSCUKEM-QOJNPXKOSA-N 2 1 343.515 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC[C@@H](C)F)CC1 ZINC001570256912 1343043456 /nfs/dbraw/zinc/04/34/56/1343043456.db2.gz YILPJTUHTYXPAX-SJORKVTESA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC[C@@H](C)F)CC1 ZINC001570256912 1343043460 /nfs/dbraw/zinc/04/34/60/1343043460.db2.gz YILPJTUHTYXPAX-SJORKVTESA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001570515110 1343078067 /nfs/dbraw/zinc/07/80/67/1343078067.db2.gz BIKIDMGIHUMIDV-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001676454283 1357152526 /nfs/dbraw/zinc/15/25/26/1357152526.db2.gz DVELSMIZJSDSJY-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001649459033 1353516647 /nfs/dbraw/zinc/51/66/47/1353516647.db2.gz JRCGJZXZZJZZGP-UHFFFAOYSA-N 2 1 346.475 2.431 10 30 EEEEMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001656136995 1354207027 /nfs/dbraw/zinc/20/70/27/1354207027.db2.gz GKCBUKDVALCBCH-KDURUIRLSA-N 2 1 339.483 2.007 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001656598673 1354251319 /nfs/dbraw/zinc/25/13/19/1354251319.db2.gz XUFZZBDLTVEXIS-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001656598673 1354251322 /nfs/dbraw/zinc/25/13/22/1354251322.db2.gz XUFZZBDLTVEXIS-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP CC[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660502736 1354476199 /nfs/dbraw/zinc/47/61/99/1354476199.db2.gz XQIXYZMZXUEGTB-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001660502736 1354476200 /nfs/dbraw/zinc/47/62/00/1354476200.db2.gz XQIXYZMZXUEGTB-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC[NH+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001660502736 1354476202 /nfs/dbraw/zinc/47/62/02/1354476202.db2.gz XQIXYZMZXUEGTB-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC/C=C/CC)C1 ZINC001661724539 1354681755 /nfs/dbraw/zinc/68/17/55/1354681755.db2.gz WGBSEEWJRCUEBE-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001661724539 1354681761 /nfs/dbraw/zinc/68/17/61/1354681761.db2.gz WGBSEEWJRCUEBE-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC/C=C/CC)C1 ZINC001661724539 1354681765 /nfs/dbraw/zinc/68/17/65/1354681765.db2.gz WGBSEEWJRCUEBE-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC/C=C/CC)C1 ZINC001661724539 1354681768 /nfs/dbraw/zinc/68/17/68/1354681768.db2.gz WGBSEEWJRCUEBE-YSKLNCTFSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996689 1354739105 /nfs/dbraw/zinc/73/91/05/1354739105.db2.gz OVXSLHSOEBVMCC-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001662827265 1354855971 /nfs/dbraw/zinc/85/59/71/1354855971.db2.gz CCAMGXCJVVZACB-QZTJIDSGSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001662827265 1354855977 /nfs/dbraw/zinc/85/59/77/1354855977.db2.gz CCAMGXCJVVZACB-QZTJIDSGSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001662827265 1354855980 /nfs/dbraw/zinc/85/59/80/1354855980.db2.gz CCAMGXCJVVZACB-QZTJIDSGSA-N 2 1 339.524 2.210 10 30 EEEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001662827265 1354855985 /nfs/dbraw/zinc/85/59/85/1354855985.db2.gz CCAMGXCJVVZACB-QZTJIDSGSA-N 2 1 339.524 2.210 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001666374611 1355519537 /nfs/dbraw/zinc/51/95/37/1355519537.db2.gz GIGNRDJRUZJWIW-LJQANCHMSA-N 2 1 333.520 2.350 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001666647029 1355558821 /nfs/dbraw/zinc/55/88/21/1355558821.db2.gz VRSZTDMBMMXQPW-INIZCTEOSA-N 2 1 349.906 2.375 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C/c1ccccc1 ZINC001668454923 1355944058 /nfs/dbraw/zinc/94/40/58/1355944058.db2.gz DZEGOPGWSLHXOV-MEJUDOHFSA-N 2 1 339.483 2.236 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C/c1ccccc1 ZINC001668454923 1355944059 /nfs/dbraw/zinc/94/40/59/1355944059.db2.gz DZEGOPGWSLHXOV-MEJUDOHFSA-N 2 1 339.483 2.236 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC001671569968 1356364342 /nfs/dbraw/zinc/36/43/42/1356364342.db2.gz PNBCVUTVDSWLNK-HXUWFJFHSA-N 2 1 341.499 2.406 10 30 EEEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001671569968 1356364346 /nfs/dbraw/zinc/36/43/46/1356364346.db2.gz PNBCVUTVDSWLNK-HXUWFJFHSA-N 2 1 341.499 2.406 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001672978295 1356625773 /nfs/dbraw/zinc/62/57/73/1356625773.db2.gz CVYTVRZSZHFNCO-BZSNNMDCSA-N 2 1 342.487 2.042 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001675185110 1356943109 /nfs/dbraw/zinc/94/31/09/1356943109.db2.gz IUNZDEAYWVDADV-QZTJIDSGSA-N 2 1 331.504 2.435 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000940806997 779315727 /nfs/dbraw/zinc/31/57/27/779315727.db2.gz FIRZDWGGCXSAPV-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000940806997 779315733 /nfs/dbraw/zinc/31/57/33/779315733.db2.gz FIRZDWGGCXSAPV-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC1(C)C ZINC000940806997 779315739 /nfs/dbraw/zinc/31/57/39/779315739.db2.gz FIRZDWGGCXSAPV-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC1(C)C ZINC000940806997 779315745 /nfs/dbraw/zinc/31/57/45/779315745.db2.gz FIRZDWGGCXSAPV-ZWKOTPCHSA-N 2 1 331.504 2.101 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857716 779446030 /nfs/dbraw/zinc/44/60/30/779446030.db2.gz BNJYRWOJYXTXNW-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857716 779446032 /nfs/dbraw/zinc/44/60/32/779446032.db2.gz BNJYRWOJYXTXNW-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857716 779446036 /nfs/dbraw/zinc/44/60/36/779446036.db2.gz BNJYRWOJYXTXNW-QZTJIDSGSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238528 780226268 /nfs/dbraw/zinc/22/62/68/780226268.db2.gz YOIVNPFFSBJYJG-IBGZPJMESA-N 2 1 345.531 2.348 10 30 EEEEMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921665747 792899290 /nfs/dbraw/zinc/89/92/90/792899290.db2.gz IIKOMDXQUSWURS-UHFFFAOYSA-N 2 1 342.468 2.201 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001566047843 1125524299 /nfs/dbraw/zinc/52/42/99/1125524299.db2.gz RCIABYXXWZOEGF-MOPGFXCFSA-N 2 1 345.531 2.302 10 30 EEEEMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001440353749 1093508794 /nfs/dbraw/zinc/50/87/94/1093508794.db2.gz CINLHDINVBOXCJ-GOSISDBHSA-N 2 1 340.471 2.029 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001479782418 1098971152 /nfs/dbraw/zinc/97/11/52/1098971152.db2.gz XCKFAHGHUKVEBY-UHFFFAOYSA-N 2 1 339.483 2.105 10 30 EEEEMP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001479847124 1099140935 /nfs/dbraw/zinc/14/09/35/1099140935.db2.gz XGYOGMQIVQGVHZ-FQEVSTJZSA-N 2 1 343.515 2.453 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085532 1099638590 /nfs/dbraw/zinc/63/85/90/1099638590.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480085532 1099638595 /nfs/dbraw/zinc/63/85/95/1099638595.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480085532 1099638598 /nfs/dbraw/zinc/63/85/98/1099638598.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001480333212 1100094024 /nfs/dbraw/zinc/09/40/24/1100094024.db2.gz WVBWSDTUKMOASL-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001480333212 1100094025 /nfs/dbraw/zinc/09/40/25/1100094025.db2.gz WVBWSDTUKMOASL-RTBURBONSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081023 1102023445 /nfs/dbraw/zinc/02/34/45/1102023445.db2.gz KHZUKUPQFXZDHI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368696 1107402235 /nfs/dbraw/zinc/40/22/35/1107402235.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368696 1107402237 /nfs/dbraw/zinc/40/22/37/1107402237.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368696 1107402241 /nfs/dbraw/zinc/40/22/41/1107402241.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001479416379 1110694003 /nfs/dbraw/zinc/69/40/03/1110694003.db2.gz HGWXQDKUMPYGOF-PPUGGXLSSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001499747014 1112467835 /nfs/dbraw/zinc/46/78/35/1112467835.db2.gz FIWMQBZKKLRIQV-GOSISDBHSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001499747014 1112467838 /nfs/dbraw/zinc/46/78/38/1112467838.db2.gz FIWMQBZKKLRIQV-GOSISDBHSA-N 2 1 325.472 2.308 10 30 EEEEMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001500018899 1112581215 /nfs/dbraw/zinc/58/12/15/1112581215.db2.gz QZXXUKNCWGLXPK-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](CCF)CC1 ZINC001500042325 1112589897 /nfs/dbraw/zinc/58/98/97/1112589897.db2.gz UEVVDOJOBLSNSZ-UHFFFAOYSA-N 2 1 342.418 2.152 10 30 EEEEMP C=CC[NH2+]C1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001502797640 1113803015 /nfs/dbraw/zinc/80/30/15/1113803015.db2.gz PJMRAMSDHVCSDD-UHFFFAOYSA-N 2 1 332.448 2.041 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001506065153 1114388858 /nfs/dbraw/zinc/38/88/58/1114388858.db2.gz KMRLCKNHWLHLTC-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1Cl ZINC001506065153 1114388861 /nfs/dbraw/zinc/38/88/61/1114388861.db2.gz KMRLCKNHWLHLTC-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001506065153 1114388862 /nfs/dbraw/zinc/38/88/62/1114388862.db2.gz KMRLCKNHWLHLTC-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001506065153 1114388865 /nfs/dbraw/zinc/38/88/65/1114388865.db2.gz KMRLCKNHWLHLTC-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001507389864 1115247261 /nfs/dbraw/zinc/24/72/61/1115247261.db2.gz PPORDAJPJZODNA-WOJBJXKFSA-N 2 1 341.499 2.200 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001508243712 1115459052 /nfs/dbraw/zinc/45/90/52/1115459052.db2.gz XSQVYOKQMPAJIP-IBGZPJMESA-N 2 1 345.462 2.429 10 30 EEEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001568246520 1124383089 /nfs/dbraw/zinc/38/30/89/1124383089.db2.gz MVVNJOXMBWBDSZ-GOSISDBHSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001568513428 1124573853 /nfs/dbraw/zinc/57/38/53/1124573853.db2.gz LFLNOEMFPRBWGL-RTBURBONSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001568516355 1124580888 /nfs/dbraw/zinc/58/08/88/1124580888.db2.gz WHOXTYWYMMHZOI-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518948 1124583773 /nfs/dbraw/zinc/58/37/73/1124583773.db2.gz MMAQUNFOOGQPNV-VQTJNVASSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518948 1124583779 /nfs/dbraw/zinc/58/37/79/1124583779.db2.gz MMAQUNFOOGQPNV-VQTJNVASSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518948 1124583788 /nfs/dbraw/zinc/58/37/88/1124583788.db2.gz MMAQUNFOOGQPNV-VQTJNVASSA-N 2 1 339.483 2.065 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)CC[C@H]21 ZINC001568518948 1124583797 /nfs/dbraw/zinc/58/37/97/1124583797.db2.gz MMAQUNFOOGQPNV-VQTJNVASSA-N 2 1 339.483 2.065 10 30 EEEEMP C=CC[N@@H+](C)CCN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001568551700 1124607951 /nfs/dbraw/zinc/60/79/51/1124607951.db2.gz PBFUQAMCHZBKDN-UHFFFAOYSA-N 2 1 327.432 2.156 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001568551700 1124607955 /nfs/dbraw/zinc/60/79/55/1124607955.db2.gz PBFUQAMCHZBKDN-UHFFFAOYSA-N 2 1 327.432 2.156 10 30 EEEEMP COC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110456 467325773 /nfs/dbraw/zinc/32/57/73/467325773.db2.gz ZDGHQABPVXFFAR-WOJBJXKFSA-N 2 1 336.520 2.487 10 30 EEEEMP CN(CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415835 469248714 /nfs/dbraw/zinc/24/87/14/469248714.db2.gz DDPMTZQGPGWEPK-KRWDZBQOSA-N 2 1 349.475 2.105 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000730284674 577016049 /nfs/dbraw/zinc/01/60/49/577016049.db2.gz QHALCQWHWRBISH-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000730284674 577016050 /nfs/dbraw/zinc/01/60/50/577016050.db2.gz QHALCQWHWRBISH-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1CC(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000158084824 678175686 /nfs/dbraw/zinc/17/56/86/678175686.db2.gz LHPGEKQSGMMPGW-IEBWSBKVSA-N 2 1 336.524 2.185 10 30 EEEEMP C#CC[NH2+]CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001485780019 1191948715 /nfs/dbraw/zinc/94/87/15/1191948715.db2.gz PYKLSVJTIZKGDU-PKOBYXMFSA-N 2 1 327.472 2.189 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001266352574 1176377780 /nfs/dbraw/zinc/37/77/80/1176377780.db2.gz DJXXDTAEYIURNT-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001691367599 1177973002 /nfs/dbraw/zinc/97/30/02/1177973002.db2.gz RWIALKYMDJODOD-QRVBRYPASA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001267603985 1179714307 /nfs/dbraw/zinc/71/43/07/1179714307.db2.gz CKRSVUHQLUUPEW-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001267603985 1179714314 /nfs/dbraw/zinc/71/43/14/1179714314.db2.gz CKRSVUHQLUUPEW-FQEVSTJZSA-N 2 1 341.499 2.483 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366306 1182341534 /nfs/dbraw/zinc/34/15/34/1182341534.db2.gz MMXZXOZJNCUDLS-PMUMKWKESA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCCCC=C)C1 ZINC001481725362 1182373061 /nfs/dbraw/zinc/37/30/61/1182373061.db2.gz CCLYGSMMIRBIDD-MOPGFXCFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCC=C)C1 ZINC001481725362 1182373068 /nfs/dbraw/zinc/37/30/68/1182373068.db2.gz CCLYGSMMIRBIDD-MOPGFXCFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCC=C)C1 ZINC001481725362 1182373076 /nfs/dbraw/zinc/37/30/76/1182373076.db2.gz CCLYGSMMIRBIDD-MOPGFXCFSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCC=C)C1 ZINC001481725362 1182373083 /nfs/dbraw/zinc/37/30/83/1182373083.db2.gz CCLYGSMMIRBIDD-MOPGFXCFSA-N 2 1 331.504 2.363 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945489 1183836133 /nfs/dbraw/zinc/83/61/33/1183836133.db2.gz DTSZASBAIJWXTK-KRWDZBQOSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268951826 1183845661 /nfs/dbraw/zinc/84/56/61/1183845661.db2.gz GQUOEMOZVKGQRB-ROUUACIJSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268951826 1183845665 /nfs/dbraw/zinc/84/56/65/1183845665.db2.gz GQUOEMOZVKGQRB-ROUUACIJSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268951826 1183845670 /nfs/dbraw/zinc/84/56/70/1183845670.db2.gz GQUOEMOZVKGQRB-ROUUACIJSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268951826 1183845674 /nfs/dbraw/zinc/84/56/74/1183845674.db2.gz GQUOEMOZVKGQRB-ROUUACIJSA-N 2 1 349.519 2.127 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701628 1185328172 /nfs/dbraw/zinc/32/81/72/1185328172.db2.gz WIKQWTJFDFEBEP-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCCCF)C1 ZINC001270737263 1185355911 /nfs/dbraw/zinc/35/59/11/1185355911.db2.gz JEHDXTMBAWKVAW-HKUYNNGSSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCCCF)C1 ZINC001270737263 1185355916 /nfs/dbraw/zinc/35/59/16/1185355916.db2.gz JEHDXTMBAWKVAW-HKUYNNGSSA-N 2 1 337.483 2.052 10 30 EEEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482392801 1185598650 /nfs/dbraw/zinc/59/86/50/1185598650.db2.gz IZADYKBQBIARLB-SJORKVTESA-N 2 1 332.492 2.451 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482462892 1185933034 /nfs/dbraw/zinc/93/30/34/1185933034.db2.gz WDGDMIMESZFZIG-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482462892 1185933041 /nfs/dbraw/zinc/93/30/41/1185933041.db2.gz WDGDMIMESZFZIG-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001482480745 1186062678 /nfs/dbraw/zinc/06/26/78/1186062678.db2.gz NBXFGDCOEMNCNB-SJLPKXTDSA-N 2 1 330.476 2.212 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001271424352 1186209715 /nfs/dbraw/zinc/20/97/15/1186209715.db2.gz CZLXSAXCBVOMDG-UYAOXDASSA-N 2 1 341.499 2.011 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042891 1187235044 /nfs/dbraw/zinc/23/50/44/1187235044.db2.gz JIOWSKMRIYFCMW-OALUTQOASA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC001272042891 1187235046 /nfs/dbraw/zinc/23/50/46/1187235046.db2.gz JIOWSKMRIYFCMW-OALUTQOASA-N 2 1 349.519 2.130 10 30 EEEEMP CC[C@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001482643236 1187474430 /nfs/dbraw/zinc/47/44/30/1187474430.db2.gz JZGULJABLGFNEQ-GOSISDBHSA-N 2 1 349.906 2.422 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001272917392 1193603350 /nfs/dbraw/zinc/60/33/50/1193603350.db2.gz WIUOOEUWWSFSAH-UHFFFAOYSA-N 2 1 327.472 2.026 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914821 1191114731 /nfs/dbraw/zinc/11/47/31/1191114731.db2.gz RMTCKNHEJVQHDS-LPHOPBHVSA-N 2 1 342.487 2.368 10 30 EEEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC2CCC2)CC1 ZINC001483988932 1191144242 /nfs/dbraw/zinc/14/42/42/1191144242.db2.gz QZXAVKADUWWJQA-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001484371737 1191319638 /nfs/dbraw/zinc/31/96/38/1191319638.db2.gz LZNUSEHWIAXBST-SJORKVTESA-N 2 1 333.520 2.347 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519822 1191394198 /nfs/dbraw/zinc/39/41/98/1191394198.db2.gz BFZPBIRVWOKMQW-JKSUJKDBSA-N 2 1 327.900 2.440 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001484617961 1191443873 /nfs/dbraw/zinc/44/38/73/1191443873.db2.gz FBPKCWBALURCLT-HXUWFJFHSA-N 2 1 341.499 2.155 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001484769064 1191522726 /nfs/dbraw/zinc/52/27/26/1191522726.db2.gz LXGZIQPSJFMTJC-UHFFFAOYSA-N 2 1 341.499 2.312 10 30 EEEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001484817026 1191538451 /nfs/dbraw/zinc/53/84/51/1191538451.db2.gz SYFDJNXVIQLRPH-KRWDZBQOSA-N 2 1 342.487 2.138 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001484862818 1191554593 /nfs/dbraw/zinc/55/45/93/1191554593.db2.gz RNQXIIKLVIIEFK-KRWDZBQOSA-N 2 1 337.508 2.080 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001485242311 1191706498 /nfs/dbraw/zinc/70/64/98/1191706498.db2.gz YMHLGKSMDIPNLB-WWDZGPRUSA-N 2 1 342.487 2.136 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001486211041 1193751324 /nfs/dbraw/zinc/75/13/24/1193751324.db2.gz AGXPRBWMXSUFFX-HOTGVXAUSA-N 2 1 346.475 2.335 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001410380780 1197776714 /nfs/dbraw/zinc/77/67/14/1197776714.db2.gz MGPOAXPMOOZRPA-KGLIPLIRSA-N 2 1 346.313 2.206 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762246 1199761178 /nfs/dbraw/zinc/76/11/78/1199761178.db2.gz CXZFFRWSPSSOOV-DLBZAZTESA-N 2 1 335.879 2.437 10 30 EEEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001275279555 1205297375 /nfs/dbraw/zinc/29/73/75/1205297375.db2.gz XNKCRHHETDQSJV-FAFZWHIHSA-N 2 1 331.504 2.291 10 30 EEEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001275632364 1205454268 /nfs/dbraw/zinc/45/42/68/1205454268.db2.gz GPAYDUSGRXUSND-UHFFFAOYSA-N 2 1 330.476 2.354 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000900369727 1234282112 /nfs/dbraw/zinc/28/21/12/1234282112.db2.gz VVMAFVYUOUYSGU-KRWDZBQOSA-N 2 1 345.487 2.031 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000900369727 1234282114 /nfs/dbraw/zinc/28/21/14/1234282114.db2.gz VVMAFVYUOUYSGU-KRWDZBQOSA-N 2 1 345.487 2.031 10 30 EEEEMP C=C(Br)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772311 1291713438 /nfs/dbraw/zinc/71/34/38/1291713438.db2.gz MGPGBSFKYAYLGW-CQSZACIVSA-N 2 1 346.313 2.017 10 30 EEEEMP C=C(Br)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772311 1291713448 /nfs/dbraw/zinc/71/34/48/1291713448.db2.gz MGPGBSFKYAYLGW-CQSZACIVSA-N 2 1 346.313 2.017 10 30 EEEEMP C[C@H](CCNC(=O)C#CC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000852872322 1292222483 /nfs/dbraw/zinc/22/24/83/1292222483.db2.gz LMTBLJKXLWEXHH-QGZVFWFLSA-N 2 1 327.472 2.016 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299339 1302259638 /nfs/dbraw/zinc/25/96/38/1302259638.db2.gz QIHGMOWZKQTIFK-SJORKVTESA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001277496084 1303680061 /nfs/dbraw/zinc/68/00/61/1303680061.db2.gz MJGIEKRMALVXKW-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001278503351 1310877915 /nfs/dbraw/zinc/87/79/15/1310877915.db2.gz BJOVCHPPFRBCRU-QUCCMNQESA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278549581 1317209628 /nfs/dbraw/zinc/20/96/28/1317209628.db2.gz BNEIKIZKNIHSES-NRFANRHFSA-N 2 1 341.499 2.012 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265292097 1323042637 /nfs/dbraw/zinc/04/26/37/1323042637.db2.gz GGDVHSBDHKOMPA-INIZCTEOSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265292097 1323042644 /nfs/dbraw/zinc/04/26/44/1323042644.db2.gz GGDVHSBDHKOMPA-INIZCTEOSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265292097 1323042647 /nfs/dbraw/zinc/04/26/47/1323042647.db2.gz GGDVHSBDHKOMPA-INIZCTEOSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395432 1323125418 /nfs/dbraw/zinc/12/54/18/1323125418.db2.gz XAEPCWQNIAKKFQ-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395432 1323125423 /nfs/dbraw/zinc/12/54/23/1323125423.db2.gz XAEPCWQNIAKKFQ-IAGOWNOFSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCc1ccc(C)cc1 ZINC001265865396 1323438308 /nfs/dbraw/zinc/43/83/08/1323438308.db2.gz ZTHYABKOOSIRKC-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCc1ccc(C)cc1 ZINC001265865396 1323438312 /nfs/dbraw/zinc/43/83/12/1323438312.db2.gz ZTHYABKOOSIRKC-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCc1ccc(C)cc1 ZINC001265865396 1323438318 /nfs/dbraw/zinc/43/83/18/1323438318.db2.gz ZTHYABKOOSIRKC-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCc1ccc(C)cc1 ZINC001265865396 1323438325 /nfs/dbraw/zinc/43/83/25/1323438325.db2.gz ZTHYABKOOSIRKC-FQEVSTJZSA-N 2 1 341.499 2.073 10 30 EEEEMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265919608 1323485876 /nfs/dbraw/zinc/48/58/76/1323485876.db2.gz QXOIGGBIZWKTRI-LJQANCHMSA-N 2 1 347.478 2.202 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001280242108 1324127260 /nfs/dbraw/zinc/12/72/60/1324127260.db2.gz QXZBSCTVNXDJCD-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682677 1325399639 /nfs/dbraw/zinc/39/96/39/1325399639.db2.gz LMCRWHVWYGOZCS-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682677 1325399648 /nfs/dbraw/zinc/39/96/48/1325399648.db2.gz LMCRWHVWYGOZCS-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682677 1325399663 /nfs/dbraw/zinc/39/96/63/1325399663.db2.gz LMCRWHVWYGOZCS-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001281957020 1325535629 /nfs/dbraw/zinc/53/56/29/1325535629.db2.gz OLXYRERBOZLIBQ-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001281957020 1325535632 /nfs/dbraw/zinc/53/56/32/1325535632.db2.gz OLXYRERBOZLIBQ-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001281957020 1325535637 /nfs/dbraw/zinc/53/56/37/1325535637.db2.gz OLXYRERBOZLIBQ-IBGZPJMESA-N 2 1 329.488 2.270 10 30 EEEEMP C[N@@H+](CC(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001282014907 1325571015 /nfs/dbraw/zinc/57/10/15/1325571015.db2.gz ORGAUJLOJHAAQD-UHFFFAOYSA-N 2 1 339.483 2.007 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001282567151 1325742058 /nfs/dbraw/zinc/74/20/58/1325742058.db2.gz GYBNHISTUUTLOE-APWZRJJASA-N 2 1 339.499 2.295 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796948 /nfs/dbraw/zinc/79/69/48/1325796948.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796951 /nfs/dbraw/zinc/79/69/51/1325796951.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796954 /nfs/dbraw/zinc/79/69/54/1325796954.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 2 1 341.499 2.011 10 30 EEEEMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282977203 1325863814 /nfs/dbraw/zinc/86/38/14/1325863814.db2.gz DGLFXGLOSWWBOY-UHFFFAOYSA-N 2 1 327.900 2.395 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282977203 1325863819 /nfs/dbraw/zinc/86/38/19/1325863819.db2.gz DGLFXGLOSWWBOY-UHFFFAOYSA-N 2 1 327.900 2.395 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001283002004 1325876174 /nfs/dbraw/zinc/87/61/74/1325876174.db2.gz AHZVOMJBWNOROJ-ZWKOTPCHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001284015385 1326363764 /nfs/dbraw/zinc/36/37/64/1326363764.db2.gz FWSQAIILZKUCOM-WBVHZDCISA-N 2 1 339.443 2.426 10 30 EEEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284066172 1326389433 /nfs/dbraw/zinc/38/94/33/1326389433.db2.gz FIKPORGYJCIKIT-IEBWSBKVSA-N 2 1 328.460 2.108 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284066172 1326389435 /nfs/dbraw/zinc/38/94/35/1326389435.db2.gz FIKPORGYJCIKIT-IEBWSBKVSA-N 2 1 328.460 2.108 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC001297380425 1329966621 /nfs/dbraw/zinc/96/66/21/1329966621.db2.gz YNWUWSPJACKOKK-SFHVURJKSA-N 2 1 330.476 2.012 10 30 EEEEMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC001297380425 1329966623 /nfs/dbraw/zinc/96/66/23/1329966623.db2.gz YNWUWSPJACKOKK-SFHVURJKSA-N 2 1 330.476 2.012 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC001297380425 1329966625 /nfs/dbraw/zinc/96/66/25/1329966625.db2.gz YNWUWSPJACKOKK-SFHVURJKSA-N 2 1 330.476 2.012 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001297380425 1329966629 /nfs/dbraw/zinc/96/66/29/1329966629.db2.gz YNWUWSPJACKOKK-SFHVURJKSA-N 2 1 330.476 2.012 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001492155819 1331019096 /nfs/dbraw/zinc/01/90/96/1331019096.db2.gz DDBTWWRQUMCEMH-IRXDYDNUSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001492155819 1331019102 /nfs/dbraw/zinc/01/91/02/1331019102.db2.gz DDBTWWRQUMCEMH-IRXDYDNUSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=C)Cl ZINC001492155819 1331019108 /nfs/dbraw/zinc/01/91/08/1331019108.db2.gz DDBTWWRQUMCEMH-IRXDYDNUSA-N 2 1 337.895 2.197 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=C)Cl ZINC001492155819 1331019113 /nfs/dbraw/zinc/01/91/13/1331019113.db2.gz DDBTWWRQUMCEMH-IRXDYDNUSA-N 2 1 337.895 2.197 10 30 EEEEMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317201157 1332129466 /nfs/dbraw/zinc/12/94/66/1332129466.db2.gz ZBIVNCURDDJXGC-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CC1 ZINC001318698080 1332579816 /nfs/dbraw/zinc/57/98/16/1332579816.db2.gz GSEXEFSEEIUNDQ-DNVCBOLYSA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001319362762 1332690765 /nfs/dbraw/zinc/69/07/65/1332690765.db2.gz YAZDDXHOVWSIEA-KRWDZBQOSA-N 2 1 345.512 2.364 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001319362762 1332690766 /nfs/dbraw/zinc/69/07/66/1332690766.db2.gz YAZDDXHOVWSIEA-KRWDZBQOSA-N 2 1 345.512 2.364 10 30 EEEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001323736061 1333528086 /nfs/dbraw/zinc/52/80/86/1333528086.db2.gz IYWWFOPTGOPZRJ-UHFFFAOYSA-N 2 1 331.504 2.361 10 30 EEEEMP C=CCOCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001324333981 1333660522 /nfs/dbraw/zinc/66/05/22/1333660522.db2.gz HKOMBLQENIGGGQ-UHFFFAOYSA-N 2 1 348.491 2.180 10 30 EEEEMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001325641956 1333930686 /nfs/dbraw/zinc/93/06/86/1333930686.db2.gz BJZJBWXISAADBI-REPLKXPHSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001325656340 1333934290 /nfs/dbraw/zinc/93/42/90/1333934290.db2.gz NYPZSOJTBNIWNI-CADBVGFASA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001328485811 1334466082 /nfs/dbraw/zinc/46/60/82/1334466082.db2.gz NPEAUNAAHOLXNK-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001328485811 1334466086 /nfs/dbraw/zinc/46/60/86/1334466086.db2.gz NPEAUNAAHOLXNK-QZTJIDSGSA-N 2 1 349.519 2.129 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440429 1334651721 /nfs/dbraw/zinc/65/17/21/1334651721.db2.gz IAICGJRMYLPUMV-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001329440429 1334651723 /nfs/dbraw/zinc/65/17/23/1334651723.db2.gz IAICGJRMYLPUMV-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001329440429 1334651728 /nfs/dbraw/zinc/65/17/28/1334651728.db2.gz IAICGJRMYLPUMV-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001329440429 1334651730 /nfs/dbraw/zinc/65/17/30/1334651730.db2.gz IAICGJRMYLPUMV-UYAOXDASSA-N 2 1 341.499 2.347 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001331054479 1334954152 /nfs/dbraw/zinc/95/41/52/1334954152.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001331054479 1334954153 /nfs/dbraw/zinc/95/41/53/1334954153.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001331054479 1334954155 /nfs/dbraw/zinc/95/41/55/1334954155.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 2 1 337.483 2.145 10 30 EEEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114817 1335732852 /nfs/dbraw/zinc/73/28/52/1335732852.db2.gz APMUSQHNOHJEKP-TZIWHRDSSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114817 1335732853 /nfs/dbraw/zinc/73/28/53/1335732853.db2.gz APMUSQHNOHJEKP-TZIWHRDSSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114817 1335732856 /nfs/dbraw/zinc/73/28/56/1335732856.db2.gz APMUSQHNOHJEKP-TZIWHRDSSA-N 2 1 339.483 2.255 10 30 EEEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001332114817 1335732858 /nfs/dbraw/zinc/73/28/58/1335732858.db2.gz APMUSQHNOHJEKP-TZIWHRDSSA-N 2 1 339.483 2.255 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)(C)C ZINC001332855574 1335919360 /nfs/dbraw/zinc/91/93/60/1335919360.db2.gz DNSJHEJFBRFBGB-KRWDZBQOSA-N 2 1 346.475 2.028 10 30 EEEEMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001479815469 1337394657 /nfs/dbraw/zinc/39/46/57/1337394657.db2.gz HXAVPQLIQLPDCW-IAGOWNOFSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001567611955 1342794062 /nfs/dbraw/zinc/79/40/62/1342794062.db2.gz ZXCZTHJUKRNIQY-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001567630739 1342797286 /nfs/dbraw/zinc/79/72/86/1342797286.db2.gz YDVSTDLNADAFEE-HNNXBMFYSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001567698909 1342815695 /nfs/dbraw/zinc/81/56/95/1342815695.db2.gz ANKVDBJIBOCFSI-SJORKVTESA-N 2 1 330.476 2.248 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001567698909 1342815698 /nfs/dbraw/zinc/81/56/98/1342815698.db2.gz ANKVDBJIBOCFSI-SJORKVTESA-N 2 1 330.476 2.248 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621792 1342910919 /nfs/dbraw/zinc/91/09/19/1342910919.db2.gz ITMBNCDMXMHRQU-ICSRJNTNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001676999346 1357259350 /nfs/dbraw/zinc/25/93/50/1357259350.db2.gz TZTGIYCQZJHQII-CVEARBPZSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001656847771 1354283929 /nfs/dbraw/zinc/28/39/29/1354283929.db2.gz QCEWOIZSQKXNHB-QYZOEREBSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001656847771 1354283933 /nfs/dbraw/zinc/28/39/33/1354283933.db2.gz QCEWOIZSQKXNHB-QYZOEREBSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001656847771 1354283935 /nfs/dbraw/zinc/28/39/35/1354283935.db2.gz QCEWOIZSQKXNHB-QYZOEREBSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001664884619 1355252153 /nfs/dbraw/zinc/25/21/53/1355252153.db2.gz RWZUSGCJQKJDKY-QGZVFWFLSA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001664884619 1355252158 /nfs/dbraw/zinc/25/21/58/1355252158.db2.gz RWZUSGCJQKJDKY-QGZVFWFLSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001667392697 1355730131 /nfs/dbraw/zinc/73/01/31/1355730131.db2.gz CNIOMVKKLMSGDR-IRXDYDNUSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001672339170 1356504941 /nfs/dbraw/zinc/50/49/41/1356504941.db2.gz ULIWFKISZDTDIZ-MJGOQNOKSA-N 2 1 329.488 2.379 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001672339170 1356504944 /nfs/dbraw/zinc/50/49/44/1356504944.db2.gz ULIWFKISZDTDIZ-MJGOQNOKSA-N 2 1 329.488 2.379 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001672987365 1356627368 /nfs/dbraw/zinc/62/73/68/1356627368.db2.gz PSNHGMVICWXMRV-IYARVYRRSA-N 2 1 330.476 2.260 10 30 EEEEMP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674429277 1356830584 /nfs/dbraw/zinc/83/05/84/1356830584.db2.gz CSZCYOSSCOQWPZ-BHIYHBOVSA-N 2 1 327.472 2.276 10 30 EEEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001674456878 1356837384 /nfs/dbraw/zinc/83/73/84/1356837384.db2.gz ANRILEGEHWIMBQ-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001674456878 1356837386 /nfs/dbraw/zinc/83/73/86/1356837386.db2.gz ANRILEGEHWIMBQ-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001674456878 1356837388 /nfs/dbraw/zinc/83/73/88/1356837388.db2.gz ANRILEGEHWIMBQ-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001674456878 1356837390 /nfs/dbraw/zinc/83/73/90/1356837390.db2.gz ANRILEGEHWIMBQ-QAPCUYQASA-N 2 1 345.491 2.289 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001674499956 1356848730 /nfs/dbraw/zinc/84/87/30/1356848730.db2.gz SVXUIAHYQIIJME-IBGZPJMESA-N 2 1 327.472 2.308 10 30 EEEEMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1Cl ZINC001674986706 1356921407 /nfs/dbraw/zinc/92/14/07/1356921407.db2.gz XGAIMCIQDSHEDZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001674986706 1356921411 /nfs/dbraw/zinc/92/14/11/1356921411.db2.gz XGAIMCIQDSHEDZ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699368072 1405343853 /nfs/dbraw/zinc/34/38/53/1405343853.db2.gz YUAQLQXVNGUUTH-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067581 779819049 /nfs/dbraw/zinc/81/90/49/779819049.db2.gz FNLVUJADIDFSSW-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067581 779819054 /nfs/dbraw/zinc/81/90/54/779819054.db2.gz FNLVUJADIDFSSW-MRXNPFEDSA-N 2 1 330.476 2.247 10 30 EEEEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906677409 784073296 /nfs/dbraw/zinc/07/32/96/784073296.db2.gz LBCZZCHPAKKEPU-UHYCVJNDSA-N 2 1 346.519 2.191 10 30 EEEEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906677409 784073301 /nfs/dbraw/zinc/07/33/01/784073301.db2.gz LBCZZCHPAKKEPU-UHYCVJNDSA-N 2 1 346.519 2.191 10 30 EEEEMP CC[NH+]=C(NCC1(O)CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000085168590 792369459 /nfs/dbraw/zinc/36/94/59/792369459.db2.gz IJOAYRCIKBATJR-ALOPSCKCSA-N 2 1 336.524 2.252 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001566519889 1125692050 /nfs/dbraw/zinc/69/20/50/1125692050.db2.gz JHKOLSJZPACKFA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1C#N ZINC001566519889 1125692053 /nfs/dbraw/zinc/69/20/53/1125692053.db2.gz JHKOLSJZPACKFA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001566519889 1125692055 /nfs/dbraw/zinc/69/20/55/1125692055.db2.gz JHKOLSJZPACKFA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001437873577 1090450916 /nfs/dbraw/zinc/45/09/16/1090450916.db2.gz PHIBNTNQYHGRBU-MRXNPFEDSA-N 2 1 333.863 2.282 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001439251447 1091901624 /nfs/dbraw/zinc/90/16/24/1091901624.db2.gz GTHCJLAZODKEME-UAGQMJEPSA-N 2 1 335.879 2.179 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439622581 1092534595 /nfs/dbraw/zinc/53/45/95/1092534595.db2.gz ROWSOADBGRAGJM-CQSZACIVSA-N 2 1 346.500 2.233 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001440492115 1093729541 /nfs/dbraw/zinc/72/95/41/1093729541.db2.gz XXVWZFRIUVMZIG-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001440492115 1093729547 /nfs/dbraw/zinc/72/95/47/1093729547.db2.gz XXVWZFRIUVMZIG-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001440492115 1093729554 /nfs/dbraw/zinc/72/95/54/1093729554.db2.gz XXVWZFRIUVMZIG-APWZRJJASA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449407152 1094388208 /nfs/dbraw/zinc/38/82/08/1094388208.db2.gz VGTHCDSJEURYDJ-UHFFFAOYSA-N 2 1 346.450 2.117 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001441936431 1096129769 /nfs/dbraw/zinc/12/97/69/1096129769.db2.gz KRWMGEIZYYVPED-KGLIPLIRSA-N 2 1 346.313 2.111 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001442297386 1096613192 /nfs/dbraw/zinc/61/31/92/1096613192.db2.gz SYFQPZQCKBWGES-CZUORRHYSA-N 2 1 333.879 2.436 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001479691907 1098755331 /nfs/dbraw/zinc/75/53/31/1098755331.db2.gz GATMELUOAUNMHD-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334037 1102341384 /nfs/dbraw/zinc/34/13/84/1102341384.db2.gz WIIVAIDWJVUKBV-CQSZACIVSA-N 2 1 334.439 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001497402900 1102435335 /nfs/dbraw/zinc/43/53/35/1102435335.db2.gz DXKVXTBSUNXRSS-MJGOQNOKSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001497402900 1102435336 /nfs/dbraw/zinc/43/53/36/1102435336.db2.gz DXKVXTBSUNXRSS-MJGOQNOKSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC001495002910 1104646247 /nfs/dbraw/zinc/64/62/47/1104646247.db2.gz NWDXNEWPJPUCIM-IDVICZFGSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC001495002910 1104646248 /nfs/dbraw/zinc/64/62/48/1104646248.db2.gz NWDXNEWPJPUCIM-IDVICZFGSA-N 2 1 339.483 2.282 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001493577855 1108347106 /nfs/dbraw/zinc/34/71/06/1108347106.db2.gz KEBWSOUEYVRVGV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001493577855 1108347120 /nfs/dbraw/zinc/34/71/20/1108347120.db2.gz KEBWSOUEYVRVGV-OALUTQOASA-N 2 1 327.472 2.283 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001499310338 1112228044 /nfs/dbraw/zinc/22/80/44/1112228044.db2.gz KTAWVXXJTQAZTE-QGZVFWFLSA-N 2 1 345.874 2.024 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406176 /nfs/dbraw/zinc/40/61/76/1112406176.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406177 /nfs/dbraw/zinc/40/61/77/1112406177.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406178 /nfs/dbraw/zinc/40/61/78/1112406178.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001501964370 1113539467 /nfs/dbraw/zinc/53/94/67/1113539467.db2.gz QAVMADYYNRRKJT-SFHVURJKSA-N 2 1 343.446 2.052 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001501964370 1113539468 /nfs/dbraw/zinc/53/94/68/1113539468.db2.gz QAVMADYYNRRKJT-SFHVURJKSA-N 2 1 343.446 2.052 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001502404832 1113670333 /nfs/dbraw/zinc/67/03/33/1113670333.db2.gz NXHREIUFQVNNHR-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001502404832 1113670334 /nfs/dbraw/zinc/67/03/34/1113670334.db2.gz NXHREIUFQVNNHR-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001502404832 1113670335 /nfs/dbraw/zinc/67/03/35/1113670335.db2.gz NXHREIUFQVNNHR-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001505436994 1113970631 /nfs/dbraw/zinc/97/06/31/1113970631.db2.gz JDOAYRHFNMCGTF-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001505436994 1113970633 /nfs/dbraw/zinc/97/06/33/1113970633.db2.gz JDOAYRHFNMCGTF-HNNXBMFYSA-N 2 1 334.464 2.239 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001508243715 1115459034 /nfs/dbraw/zinc/45/90/34/1115459034.db2.gz XSQVYOKQMPAJIP-LJQANCHMSA-N 2 1 345.462 2.429 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220032 1124364057 /nfs/dbraw/zinc/36/40/57/1124364057.db2.gz IHEVUZLGSGTWDB-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001568220032 1124364059 /nfs/dbraw/zinc/36/40/59/1124364059.db2.gz IHEVUZLGSGTWDB-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001568220032 1124364062 /nfs/dbraw/zinc/36/40/62/1124364062.db2.gz IHEVUZLGSGTWDB-RBUKOAKNSA-N 2 1 349.519 2.177 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700106 1124715284 /nfs/dbraw/zinc/71/52/84/1124715284.db2.gz KNNILYGCSZPVFR-INIZCTEOSA-N 2 1 333.451 2.003 10 30 EEEEMP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568970100 1125008276 /nfs/dbraw/zinc/00/82/76/1125008276.db2.gz SLLFVFZTDPZBGX-TWRSITDPSA-N 2 1 344.297 2.030 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001569037908 1125058259 /nfs/dbraw/zinc/05/82/59/1125058259.db2.gz DDFNWKSDVXUXGP-NQIIRXRSSA-N 2 1 349.478 2.435 10 30 EEEEMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001569170128 1125142890 /nfs/dbraw/zinc/14/28/90/1125142890.db2.gz RCPAXNLYLGLKRV-PMACEKPBSA-N 2 1 341.499 2.059 10 30 EEEEMP OCC[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342055044 539831354 /nfs/dbraw/zinc/83/13/54/539831354.db2.gz YEPOSCIYXGKHRD-WOJBJXKFSA-N 2 1 336.520 2.244 10 30 EEEEMP CCO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451549514 276338550 /nfs/dbraw/zinc/33/85/50/276338550.db2.gz WBYJLCPTWZPWFR-LWYYNNOASA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451549514 276338552 /nfs/dbraw/zinc/33/85/52/276338552.db2.gz WBYJLCPTWZPWFR-LWYYNNOASA-N 2 1 336.520 2.484 10 30 EEEEMP CCO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451549514 276338554 /nfs/dbraw/zinc/33/85/54/276338554.db2.gz WBYJLCPTWZPWFR-LWYYNNOASA-N 2 1 336.520 2.484 10 30 EEEEMP C[C@]1(CCCO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000341908480 465273416 /nfs/dbraw/zinc/27/34/16/465273416.db2.gz DOPLFDNFLZKFQY-WOJBJXKFSA-N 2 1 336.520 2.244 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000174894300 464464390 /nfs/dbraw/zinc/46/43/90/464464390.db2.gz ARRBEUHNLHANSH-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000174894300 464464395 /nfs/dbraw/zinc/46/43/95/464464395.db2.gz ARRBEUHNLHANSH-LJQANCHMSA-N 2 1 342.487 2.039 10 30 EEEEMP COC[C@@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959275 466041886 /nfs/dbraw/zinc/04/18/86/466041886.db2.gz DGQLZFSVNOWGHS-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP COC[C@@H]1CCCC[N@@H+](CC#CC[NH+]2CCCC[C@H](COC)C2)C1 ZINC000366959275 466041888 /nfs/dbraw/zinc/04/18/88/466041888.db2.gz DGQLZFSVNOWGHS-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP COC[C@@H]1CCCC[N@H+](CC#CC[NH+]2CCCC[C@H](COC)C2)C1 ZINC000366959275 466041897 /nfs/dbraw/zinc/04/18/97/466041897.db2.gz DGQLZFSVNOWGHS-BGYRXZFFSA-N 2 1 336.520 2.487 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527768968 467665196 /nfs/dbraw/zinc/66/51/96/467665196.db2.gz URGXEYFDHHDLRA-SFHVURJKSA-N 2 1 334.508 2.343 10 30 EEEEMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600718509 468633069 /nfs/dbraw/zinc/63/30/69/468633069.db2.gz XWUDDPLXQBWART-ZWKOTPCHSA-N 2 1 337.508 2.302 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574570 469367427 /nfs/dbraw/zinc/36/74/27/469367427.db2.gz BNTQLUAGQDRSEG-QZTJIDSGSA-N 2 1 328.460 2.036 10 30 EEEEMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001374 470353690 /nfs/dbraw/zinc/35/36/90/470353690.db2.gz KDLYQYYPRCLYJT-QUCCMNQESA-N 2 1 327.472 2.384 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799704 471224121 /nfs/dbraw/zinc/22/41/21/471224121.db2.gz FSMOIRFUEXXNHV-ICSRJNTNSA-N 2 1 327.472 2.323 10 30 EEEEMP C=CC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748421 472234418 /nfs/dbraw/zinc/23/44/18/472234418.db2.gz TVORXXXJYANYRX-XKGZKEIXSA-N 2 1 327.472 2.464 10 30 EEEEMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156814 684144118 /nfs/dbraw/zinc/14/41/18/684144118.db2.gz GVYGSMVFYWDPKT-XWTMOSNGSA-N 2 1 329.444 2.009 10 30 EEEEMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCN1O ZINC000895156814 684144120 /nfs/dbraw/zinc/14/41/20/684144120.db2.gz GVYGSMVFYWDPKT-XWTMOSNGSA-N 2 1 329.444 2.009 10 30 EEEEMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663811 1177084501 /nfs/dbraw/zinc/08/45/01/1177084501.db2.gz RLSHTCFIUAKRTP-MSOLQXFVSA-N 2 1 330.476 2.471 10 30 EEEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266663811 1177084509 /nfs/dbraw/zinc/08/45/09/1177084509.db2.gz RLSHTCFIUAKRTP-MSOLQXFVSA-N 2 1 330.476 2.471 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664138 1177086906 /nfs/dbraw/zinc/08/69/06/1177086906.db2.gz VQNVQSRWJZXTOW-OALUTQOASA-N 2 1 342.487 2.308 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266664138 1177086910 /nfs/dbraw/zinc/08/69/10/1177086910.db2.gz VQNVQSRWJZXTOW-OALUTQOASA-N 2 1 342.487 2.308 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947514 1178621892 /nfs/dbraw/zinc/62/18/92/1178621892.db2.gz YXLBEMQBGNIHNO-HZPDHXFCSA-N 2 1 327.488 2.459 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001481518726 1181629840 /nfs/dbraw/zinc/62/98/40/1181629840.db2.gz FVVCSKILUFMYIF-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880828 1182863271 /nfs/dbraw/zinc/86/32/71/1182863271.db2.gz HQYWINGWXMPXBG-RHSMWYFYSA-N 2 1 348.516 2.479 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268543575 1183216163 /nfs/dbraw/zinc/21/61/63/1183216163.db2.gz WLBZANQXEWJARH-RTLBZRNLSA-N 2 1 340.471 2.193 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270295501 1184993932 /nfs/dbraw/zinc/99/39/32/1184993932.db2.gz ATEYGGHHUXVEHH-FAFZWHIHSA-N 2 1 331.504 2.053 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371235 1185053919 /nfs/dbraw/zinc/05/39/19/1185053919.db2.gz FMMLQJWRRDRZNM-MAUKXSAKSA-N 2 1 347.890 2.128 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370220 1185535632 /nfs/dbraw/zinc/53/56/32/1185535632.db2.gz TUANJMPCBPEDLB-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271101888 1185888601 /nfs/dbraw/zinc/88/86/01/1185888601.db2.gz WFBDMIQFRHOBCW-HNNXBMFYSA-N 2 1 343.462 2.061 10 30 EEEEMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271101888 1185888606 /nfs/dbraw/zinc/88/86/06/1185888606.db2.gz WFBDMIQFRHOBCW-HNNXBMFYSA-N 2 1 343.462 2.061 10 30 EEEEMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271101888 1185888611 /nfs/dbraw/zinc/88/86/11/1185888611.db2.gz WFBDMIQFRHOBCW-HNNXBMFYSA-N 2 1 343.462 2.061 10 30 EEEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110741 1187912487 /nfs/dbraw/zinc/91/24/87/1187912487.db2.gz DUJGUPCZVKRFRK-NVXWUHKLSA-N 2 1 332.492 2.499 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272110741 1187912495 /nfs/dbraw/zinc/91/24/95/1187912495.db2.gz DUJGUPCZVKRFRK-NVXWUHKLSA-N 2 1 332.492 2.499 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1 ZINC001483741843 1190892084 /nfs/dbraw/zinc/89/20/84/1190892084.db2.gz CMFMHMZDPDRUJQ-SFHVURJKSA-N 2 1 329.488 2.213 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1 ZINC001483741843 1190892087 /nfs/dbraw/zinc/89/20/87/1190892087.db2.gz CMFMHMZDPDRUJQ-SFHVURJKSA-N 2 1 329.488 2.213 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483943173 1191125904 /nfs/dbraw/zinc/12/59/04/1191125904.db2.gz UQGAJUIVLOZIEJ-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001483971483 1191131711 /nfs/dbraw/zinc/13/17/11/1191131711.db2.gz STRYBTAKCYFKEW-UHFFFAOYSA-N 2 1 341.499 2.155 10 30 EEEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001484116226 1191218488 /nfs/dbraw/zinc/21/84/88/1191218488.db2.gz XTXABSFEOOQYCF-LJQANCHMSA-N 2 1 346.475 2.288 10 30 EEEEMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001272690607 1191547114 /nfs/dbraw/zinc/54/71/14/1191547114.db2.gz BVIQSIRGJUKQIR-FRQCXROJSA-N 2 1 327.472 2.317 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001484987567 1191603666 /nfs/dbraw/zinc/60/36/66/1191603666.db2.gz CGYPSJAXICKCDD-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001484987567 1191603667 /nfs/dbraw/zinc/60/36/67/1191603667.db2.gz CGYPSJAXICKCDD-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484987567 1191603668 /nfs/dbraw/zinc/60/36/68/1191603668.db2.gz CGYPSJAXICKCDD-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001484987567 1191603670 /nfs/dbraw/zinc/60/36/70/1191603670.db2.gz CGYPSJAXICKCDD-IEBWSBKVSA-N 2 1 327.472 2.111 10 30 EEEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001485102947 1191652427 /nfs/dbraw/zinc/65/24/27/1191652427.db2.gz YCJDBNSJUKCYLY-JMLCCBQJSA-N 2 1 325.472 2.259 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230187 1191699219 /nfs/dbraw/zinc/69/92/19/1191699219.db2.gz QSJOQWUKCIKAJI-KGLIPLIRSA-N 2 1 334.439 2.020 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(Cl)cc1 ZINC001485312037 1191729286 /nfs/dbraw/zinc/72/92/86/1191729286.db2.gz CTOUDBDGNWYOKZ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(Cl)cc1 ZINC001485312037 1191729287 /nfs/dbraw/zinc/72/92/87/1191729287.db2.gz CTOUDBDGNWYOKZ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001485312037 1191729290 /nfs/dbraw/zinc/72/92/90/1191729290.db2.gz CTOUDBDGNWYOKZ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001485312037 1191729292 /nfs/dbraw/zinc/72/92/92/1191729292.db2.gz CTOUDBDGNWYOKZ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001273153897 1197099045 /nfs/dbraw/zinc/09/90/45/1197099045.db2.gz GKMWUHSOZOMAAZ-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260381 1201439426 /nfs/dbraw/zinc/43/94/26/1201439426.db2.gz CAGWCSQPWASKMI-DLBZAZTESA-N 2 1 330.476 2.405 10 30 EEEEMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260381 1201439429 /nfs/dbraw/zinc/43/94/29/1201439429.db2.gz CAGWCSQPWASKMI-DLBZAZTESA-N 2 1 330.476 2.405 10 30 EEEEMP CCC[N@H+](C[C@H](O)CC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981706 1206524724 /nfs/dbraw/zinc/52/47/24/1206524724.db2.gz KSQSDOKLULNEOU-QGZVFWFLSA-N 2 1 331.464 2.049 10 30 EEEEMP CCC[N@@H+](C[C@H](O)CC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981706 1206524726 /nfs/dbraw/zinc/52/47/26/1206524726.db2.gz KSQSDOKLULNEOU-QGZVFWFLSA-N 2 1 331.464 2.049 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCCC1)CO2 ZINC001273729379 1284280967 /nfs/dbraw/zinc/28/09/67/1284280967.db2.gz QNJOWMVZRZRAHA-GOSISDBHSA-N 2 1 349.519 2.178 10 30 EEEEMP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000852098607 1291991776 /nfs/dbraw/zinc/99/17/76/1291991776.db2.gz RDOYKLLTIYDUGP-YLJYHZDGSA-N 2 1 327.472 2.283 10 30 EEEEMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852886959 1292225560 /nfs/dbraw/zinc/22/55/60/1292225560.db2.gz ALBVFIYXEGECHY-YLJYHZDGSA-N 2 1 339.483 2.016 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294271 1302231454 /nfs/dbraw/zinc/23/14/54/1302231454.db2.gz JNZXNRIZIUNGSY-OALUTQOASA-N 2 1 331.504 2.199 10 30 EEEEMP C#CCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CC[NH+](CCC=C)CC1 ZINC001278188463 1306224416 /nfs/dbraw/zinc/22/44/16/1306224416.db2.gz QGXRPTSSVFOBBR-INIZCTEOSA-N 2 1 328.460 2.091 10 30 EEEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278550772 1317216892 /nfs/dbraw/zinc/21/68/92/1317216892.db2.gz ZBQIUOOONIKKCY-MSOLQXFVSA-N 2 1 325.472 2.213 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001278656210 1317569905 /nfs/dbraw/zinc/56/99/05/1317569905.db2.gz IZCBANAFQBLVGQ-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254645905 1318153250 /nfs/dbraw/zinc/15/32/50/1318153250.db2.gz SNRBAGZRBSQKEK-QGZVFWFLSA-N 2 1 333.451 2.354 10 30 EEEEMP C=CCO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254645905 1318153260 /nfs/dbraw/zinc/15/32/60/1318153260.db2.gz SNRBAGZRBSQKEK-QGZVFWFLSA-N 2 1 333.451 2.354 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001264164993 1322645985 /nfs/dbraw/zinc/64/59/85/1322645985.db2.gz VHALKQCPWDCEBG-APWZRJJASA-N 2 1 345.487 2.143 10 30 EEEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001266081660 1323638643 /nfs/dbraw/zinc/63/86/43/1323638643.db2.gz PUWXMLMQRMBGJC-KRWDZBQOSA-N 2 1 335.879 2.282 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001266219987 1323790344 /nfs/dbraw/zinc/79/03/44/1323790344.db2.gz MBNCYRCXZSVFKS-INIZCTEOSA-N 2 1 333.501 2.417 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001285003682 1326822358 /nfs/dbraw/zinc/82/23/58/1326822358.db2.gz HFKUCRUBVVGBDD-GOSISDBHSA-N 2 1 331.435 2.039 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001316799851 1331899123 /nfs/dbraw/zinc/89/91/23/1331899123.db2.gz KYOGRZUBSLXWNO-JISXSJDESA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(CF)cc1 ZINC001316828469 1331918665 /nfs/dbraw/zinc/91/86/65/1331918665.db2.gz DYLNNKAXEPVAJP-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(CF)cc1 ZINC001316828469 1331918666 /nfs/dbraw/zinc/91/86/66/1331918666.db2.gz DYLNNKAXEPVAJP-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(CF)cc1 ZINC001316828469 1331918668 /nfs/dbraw/zinc/91/86/68/1331918668.db2.gz DYLNNKAXEPVAJP-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(CF)cc1 ZINC001316828469 1331918669 /nfs/dbraw/zinc/91/86/69/1331918669.db2.gz DYLNNKAXEPVAJP-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP N#Cc1cccc(C[N@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001316927115 1331994596 /nfs/dbraw/zinc/99/45/96/1331994596.db2.gz QXXOWZXDSCSVPE-UHFFFAOYSA-N 2 1 340.471 2.125 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001321652998 1333138335 /nfs/dbraw/zinc/13/83/35/1333138335.db2.gz UGGVAQQPSZRUND-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001327455346 1334295676 /nfs/dbraw/zinc/29/56/76/1334295676.db2.gz MSORRUVSGQRPAC-SFHVURJKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001327455346 1334295681 /nfs/dbraw/zinc/29/56/81/1334295681.db2.gz MSORRUVSGQRPAC-SFHVURJKSA-N 2 1 331.504 2.411 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398635 /nfs/dbraw/zinc/39/86/35/1334398635.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398637 /nfs/dbraw/zinc/39/86/37/1334398637.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398639 /nfs/dbraw/zinc/39/86/39/1334398639.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398641 /nfs/dbraw/zinc/39/86/41/1334398641.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398643 /nfs/dbraw/zinc/39/86/43/1334398643.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 1 341.499 2.358 10 30 EEEEMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001328686329 1334499336 /nfs/dbraw/zinc/49/93/36/1334499336.db2.gz GQPVFQJVGLKNEJ-MTQWCTHYSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797467 1334523244 /nfs/dbraw/zinc/52/32/44/1334523244.db2.gz NTZBUWMEMNSXBB-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOCC1 ZINC001331961622 1335690197 /nfs/dbraw/zinc/69/01/97/1335690197.db2.gz YAHBKCZXPCLLHB-UHFFFAOYSA-N 2 1 345.462 2.240 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001567202567 1342711349 /nfs/dbraw/zinc/71/13/49/1342711349.db2.gz IFYQIMYGRSPZBM-QZTJIDSGSA-N 2 1 337.483 2.003 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640422 1343096305 /nfs/dbraw/zinc/09/63/05/1343096305.db2.gz AIYKGXDDQFSMMH-HZPDHXFCSA-N 2 1 333.451 2.002 10 30 EEEEMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365136 1357141168 /nfs/dbraw/zinc/14/11/68/1357141168.db2.gz SQOVWZJIFGZXKF-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001649462173 1353518835 /nfs/dbraw/zinc/51/88/35/1353518835.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462173 1353518837 /nfs/dbraw/zinc/51/88/37/1353518837.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001649462173 1353518842 /nfs/dbraw/zinc/51/88/42/1353518842.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001661138783 1354596685 /nfs/dbraw/zinc/59/66/85/1354596685.db2.gz YTXWBZAZXYIHCX-UXHICEINSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001661138783 1354596689 /nfs/dbraw/zinc/59/66/89/1354596689.db2.gz YTXWBZAZXYIHCX-UXHICEINSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+](C)CCCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001662547468 1354805096 /nfs/dbraw/zinc/80/50/96/1354805096.db2.gz FCFIIQDYYHLLDT-UHFFFAOYSA-N 2 1 348.922 2.137 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670091101 1356273870 /nfs/dbraw/zinc/27/38/70/1356273870.db2.gz SEGLPYBYDRXAPD-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001671481395 1356347093 /nfs/dbraw/zinc/34/70/93/1356347093.db2.gz IXOMATUWWYXGKD-QZTJIDSGSA-N 2 1 342.487 2.486 10 30 EEEEMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001672170651 1356472930 /nfs/dbraw/zinc/47/29/30/1356472930.db2.gz JCNNRSJPKGJPSZ-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672447220 1356524475 /nfs/dbraw/zinc/52/44/75/1356524475.db2.gz JDTCIFBTBKAEDZ-CEXWTWQISA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCO1 ZINC001673288735 1356661611 /nfs/dbraw/zinc/66/16/11/1356661611.db2.gz OCNCAZWCOVZHBP-QGZVFWFLSA-N 2 1 337.508 2.033 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943311 1356914265 /nfs/dbraw/zinc/91/42/65/1356914265.db2.gz KDJXOXYSZUTQGR-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001674943311 1356914268 /nfs/dbraw/zinc/91/42/68/1356914268.db2.gz KDJXOXYSZUTQGR-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001674943311 1356914270 /nfs/dbraw/zinc/91/42/70/1356914270.db2.gz KDJXOXYSZUTQGR-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674943311 1356914273 /nfs/dbraw/zinc/91/42/73/1356914273.db2.gz KDJXOXYSZUTQGR-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001675233544 1356947962 /nfs/dbraw/zinc/94/79/62/1356947962.db2.gz ABZPXLKULGILAX-IRXDYDNUSA-N 2 1 330.476 2.042 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001698893606 1405136346 /nfs/dbraw/zinc/13/63/46/1405136346.db2.gz ONVVTLHKABJVNQ-CRAIPNDOSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001699011323 1405225433 /nfs/dbraw/zinc/22/54/33/1405225433.db2.gz VKTTUBSCMZXUPG-UHFFFAOYSA-N 2 1 345.462 2.061 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)CC1(C)C ZINC000940807155 779317093 /nfs/dbraw/zinc/31/70/93/779317093.db2.gz IHQCRQVGHZHVGS-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC000940807155 779317097 /nfs/dbraw/zinc/31/70/97/779317097.db2.gz IHQCRQVGHZHVGS-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)CC1(C)C ZINC000940807155 779317101 /nfs/dbraw/zinc/31/71/01/779317101.db2.gz IHQCRQVGHZHVGS-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)CC1(C)C ZINC000940807155 779317103 /nfs/dbraw/zinc/31/71/03/779317103.db2.gz IHQCRQVGHZHVGS-ROUUACIJSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)CC1(C)C ZINC000940811402 779356249 /nfs/dbraw/zinc/35/62/49/779356249.db2.gz JMFDYHNAIDIBQS-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC000940811402 779356256 /nfs/dbraw/zinc/35/62/56/779356256.db2.gz JMFDYHNAIDIBQS-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)CC1(C)C ZINC000940811402 779356267 /nfs/dbraw/zinc/35/62/67/779356267.db2.gz JMFDYHNAIDIBQS-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)CC1(C)C ZINC000940811402 779356272 /nfs/dbraw/zinc/35/62/72/779356272.db2.gz JMFDYHNAIDIBQS-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853096 779436640 /nfs/dbraw/zinc/43/66/40/779436640.db2.gz LERMYWAPALDFSS-MRXNPFEDSA-N 2 1 334.464 2.143 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853096 779436644 /nfs/dbraw/zinc/43/66/44/779436644.db2.gz LERMYWAPALDFSS-MRXNPFEDSA-N 2 1 334.464 2.143 10 30 EEEEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001436436555 1087818563 /nfs/dbraw/zinc/81/85/63/1087818563.db2.gz CQGAKSLYGXLUGL-JKSUJKDBSA-N 2 1 334.489 2.041 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001440753354 1093998527 /nfs/dbraw/zinc/99/85/27/1093998527.db2.gz UNGYGKCOGBWBGT-UYSNPLJNSA-N 2 1 327.900 2.344 10 30 EEEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001441315184 1094769074 /nfs/dbraw/zinc/76/90/74/1094769074.db2.gz XRGRJYBNDHTRAG-HZPDHXFCSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001441315184 1094769082 /nfs/dbraw/zinc/76/90/82/1094769082.db2.gz XRGRJYBNDHTRAG-HZPDHXFCSA-N 2 1 327.900 2.394 10 30 EEEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001441315184 1094769095 /nfs/dbraw/zinc/76/90/95/1094769095.db2.gz XRGRJYBNDHTRAG-HZPDHXFCSA-N 2 1 327.900 2.394 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747862 1098887358 /nfs/dbraw/zinc/88/73/58/1098887358.db2.gz HRMGHIIORHJACS-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747861 1098888144 /nfs/dbraw/zinc/88/81/44/1098888144.db2.gz HRMGHIIORHJACS-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001479777091 1098957675 /nfs/dbraw/zinc/95/76/75/1098957675.db2.gz CAWASSXLDRUKQM-SFHVURJKSA-N 2 1 330.476 2.083 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480665039 1106844436 /nfs/dbraw/zinc/84/44/36/1106844436.db2.gz HSQDFVVGBWUQJI-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498337022 1107323251 /nfs/dbraw/zinc/32/32/51/1107323251.db2.gz GKAKCBJROQMWRJ-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160608 1107615586 /nfs/dbraw/zinc/61/55/86/1107615586.db2.gz IUMZSSPSTWWCJM-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@H+](CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001493379338 1108027117 /nfs/dbraw/zinc/02/71/17/1108027117.db2.gz ANFVJKRZCBMPEW-FQEVSTJZSA-N 2 1 341.499 2.205 10 30 EEEEMP CC(C)[C@@H](C(=O)NCC[N@@H+](CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001493379338 1108027130 /nfs/dbraw/zinc/02/71/30/1108027130.db2.gz ANFVJKRZCBMPEW-FQEVSTJZSA-N 2 1 341.499 2.205 10 30 EEEEMP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406114 /nfs/dbraw/zinc/40/61/14/1112406114.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406115 /nfs/dbraw/zinc/40/61/15/1112406115.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406116 /nfs/dbraw/zinc/40/61/16/1112406116.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 2 1 331.504 2.199 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500523466 1112916682 /nfs/dbraw/zinc/91/66/82/1112916682.db2.gz XTMOJDZJBRVXNP-WMLDXEAASA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500523466 1112916685 /nfs/dbraw/zinc/91/66/85/1112916685.db2.gz XTMOJDZJBRVXNP-WMLDXEAASA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500523466 1112916688 /nfs/dbraw/zinc/91/66/88/1112916688.db2.gz XTMOJDZJBRVXNP-WMLDXEAASA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500523466 1112916691 /nfs/dbraw/zinc/91/66/91/1112916691.db2.gz XTMOJDZJBRVXNP-WMLDXEAASA-N 2 1 327.900 2.299 10 30 EEEEMP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001568251395 1124386438 /nfs/dbraw/zinc/38/64/38/1124386438.db2.gz NXDXZHNCJMALBD-UHFFFAOYSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568277891 1124400673 /nfs/dbraw/zinc/40/06/73/1124400673.db2.gz IMRNXCOBWMTWJM-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001568277891 1124400678 /nfs/dbraw/zinc/40/06/78/1124400678.db2.gz IMRNXCOBWMTWJM-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568393375 1124464003 /nfs/dbraw/zinc/46/40/03/1124464003.db2.gz KRIMVNWVLVYSBU-QFBILLFUSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001569302734 1125219215 /nfs/dbraw/zinc/21/92/15/1125219215.db2.gz AZSIPQMSYUSNEL-PKOBYXMFSA-N 2 1 331.504 2.149 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000118952023 279329496 /nfs/dbraw/zinc/32/94/96/279329496.db2.gz CQJGLPZHKJVGTC-SFHVURJKSA-N 2 1 342.487 2.355 10 30 EEEEMP CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589572649 468162991 /nfs/dbraw/zinc/16/29/91/468162991.db2.gz JOUALZGKSKECAK-KRWDZBQOSA-N 2 1 343.431 2.071 10 30 EEEEMP CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589572649 468162999 /nfs/dbraw/zinc/16/29/99/468162999.db2.gz JOUALZGKSKECAK-KRWDZBQOSA-N 2 1 343.431 2.071 10 30 EEEEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C[C@@H](C)C#N)C3CC3)CC2)CC1 ZINC000563638031 469243557 /nfs/dbraw/zinc/24/35/57/469243557.db2.gz RWXIIWJTYCBFPO-INIZCTEOSA-N 2 1 346.519 2.333 10 30 EEEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262753006 688355278 /nfs/dbraw/zinc/35/52/78/688355278.db2.gz CKPAGOKCIRAFPQ-AEFFLSMTSA-N 2 1 346.523 2.049 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001485662767 1191883052 /nfs/dbraw/zinc/88/30/52/1191883052.db2.gz MOPFYUOEYRQJAW-SFHVURJKSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2 ZINC001485662767 1191883054 /nfs/dbraw/zinc/88/30/54/1191883054.db2.gz MOPFYUOEYRQJAW-SFHVURJKSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCCF)C2 ZINC001485662767 1191883056 /nfs/dbraw/zinc/88/30/56/1191883056.db2.gz MOPFYUOEYRQJAW-SFHVURJKSA-N 2 1 349.494 2.148 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCCF)C2 ZINC001485662767 1191883058 /nfs/dbraw/zinc/88/30/58/1191883058.db2.gz MOPFYUOEYRQJAW-SFHVURJKSA-N 2 1 349.494 2.148 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485715386 1191906608 /nfs/dbraw/zinc/90/66/08/1191906608.db2.gz YKSNDLITNWAQFW-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342388 1176340259 /nfs/dbraw/zinc/34/02/59/1176340259.db2.gz RLGAUKWBCYUOJF-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342388 1176340272 /nfs/dbraw/zinc/34/02/72/1176340272.db2.gz RLGAUKWBCYUOJF-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342388 1176340280 /nfs/dbraw/zinc/34/02/80/1176340280.db2.gz RLGAUKWBCYUOJF-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001266342388 1176340296 /nfs/dbraw/zinc/34/02/96/1176340296.db2.gz RLGAUKWBCYUOJF-IBGZPJMESA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266550854 1176819140 /nfs/dbraw/zinc/81/91/40/1176819140.db2.gz FKEIAEYERMMSLL-DUMMIQTOSA-N 2 1 331.504 2.126 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266755491 1177358922 /nfs/dbraw/zinc/35/89/22/1177358922.db2.gz QONNGCNDKBUVSQ-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266755491 1177358928 /nfs/dbraw/zinc/35/89/28/1177358928.db2.gz QONNGCNDKBUVSQ-OAHLLOKOSA-N 2 1 334.464 2.144 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1CC ZINC001267243550 1178597186 /nfs/dbraw/zinc/59/71/86/1178597186.db2.gz YPTXVMYGAMPOMK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1CC ZINC001267243550 1178597191 /nfs/dbraw/zinc/59/71/91/1178597191.db2.gz YPTXVMYGAMPOMK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1CC ZINC001267243550 1178597198 /nfs/dbraw/zinc/59/71/98/1178597198.db2.gz YPTXVMYGAMPOMK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1CC ZINC001267243550 1178597203 /nfs/dbraw/zinc/59/72/03/1178597203.db2.gz YPTXVMYGAMPOMK-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267653042 1180106244 /nfs/dbraw/zinc/10/62/44/1180106244.db2.gz JRSPXDLQRYZSHK-IRXDYDNUSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267653042 1180106249 /nfs/dbraw/zinc/10/62/49/1180106249.db2.gz JRSPXDLQRYZSHK-IRXDYDNUSA-N 2 1 330.476 2.200 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481443794 1181359960 /nfs/dbraw/zinc/35/99/60/1181359960.db2.gz GAWFPTSRUYILKG-JYJNAYRXSA-N 2 1 327.900 2.297 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC(=C)Cl)CC1 ZINC001481515947 1181621873 /nfs/dbraw/zinc/62/18/73/1181621873.db2.gz IGQAJIDYAMAEST-KRWDZBQOSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC(=C)Cl)CC1 ZINC001481515947 1181621875 /nfs/dbraw/zinc/62/18/75/1181621875.db2.gz IGQAJIDYAMAEST-KRWDZBQOSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(=C)Cl)CC1 ZINC001481515947 1181621878 /nfs/dbraw/zinc/62/18/78/1181621878.db2.gz IGQAJIDYAMAEST-KRWDZBQOSA-N 2 1 337.895 2.007 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(=C)Cl)CC1 ZINC001481515947 1181621881 /nfs/dbraw/zinc/62/18/81/1181621881.db2.gz IGQAJIDYAMAEST-KRWDZBQOSA-N 2 1 337.895 2.007 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001481520005 1181632002 /nfs/dbraw/zinc/63/20/02/1181632002.db2.gz YZPQQXYHOFWNHP-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001481520005 1181632004 /nfs/dbraw/zinc/63/20/04/1181632004.db2.gz YZPQQXYHOFWNHP-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001481520005 1181632005 /nfs/dbraw/zinc/63/20/05/1181632005.db2.gz YZPQQXYHOFWNHP-OALUTQOASA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268187213 1181976644 /nfs/dbraw/zinc/97/66/44/1181976644.db2.gz OLJPMXZKMHIYDU-WMLDXEAASA-N 2 1 334.464 2.143 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824203 1182743315 /nfs/dbraw/zinc/74/33/15/1182743315.db2.gz QMBXVUVFDJLEGV-MOPGFXCFSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268550557 1183234469 /nfs/dbraw/zinc/23/44/69/1183234469.db2.gz QLNIXIRXYKMBRP-YIEVGGLXSA-N 2 1 325.884 2.408 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001269422494 1184254794 /nfs/dbraw/zinc/25/47/94/1184254794.db2.gz DFZOFCCXJXILCU-LJQANCHMSA-N 2 1 339.483 2.151 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001269575199 1184404604 /nfs/dbraw/zinc/40/46/04/1184404604.db2.gz RNZLZYJXASNCAL-MVCQKVDPSA-N 2 1 349.519 2.033 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001270623671 1185230816 /nfs/dbraw/zinc/23/08/16/1185230816.db2.gz JIYWMKSZTAABCA-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001270623671 1185230818 /nfs/dbraw/zinc/23/08/18/1185230818.db2.gz JIYWMKSZTAABCA-FQEVSTJZSA-N 2 1 345.462 2.100 10 30 EEEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270780845 1185384981 /nfs/dbraw/zinc/38/49/81/1185384981.db2.gz XDUXDZGWKDJNRR-QFBILLFUSA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001279112508 1185432980 /nfs/dbraw/zinc/43/29/80/1185432980.db2.gz IVBXBLSGWVDRAN-IRXDYDNUSA-N 2 1 333.520 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439877 1185724798 /nfs/dbraw/zinc/72/47/98/1185724798.db2.gz WXMTXFIOWYSBRW-AZUAARDMSA-N 2 1 341.499 2.205 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001482603311 1187347722 /nfs/dbraw/zinc/34/77/22/1187347722.db2.gz ATKGSWHQOWMEAH-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001482603311 1187347724 /nfs/dbraw/zinc/34/77/24/1187347724.db2.gz ATKGSWHQOWMEAH-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001482603311 1187347726 /nfs/dbraw/zinc/34/77/26/1187347726.db2.gz ATKGSWHQOWMEAH-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)c(C)c1 ZINC001482603311 1187347730 /nfs/dbraw/zinc/34/77/30/1187347730.db2.gz ATKGSWHQOWMEAH-FQEVSTJZSA-N 2 1 341.499 2.291 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001691813198 1188291954 /nfs/dbraw/zinc/29/19/54/1188291954.db2.gz INYLFCNEWLQBKL-SJORKVTESA-N 2 1 339.499 2.296 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821858 1193561412 /nfs/dbraw/zinc/56/14/12/1193561412.db2.gz CPFBYONICLBBOB-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001483983867 1191141904 /nfs/dbraw/zinc/14/19/04/1191141904.db2.gz CXMMZQPAEXNZFF-VQIMIIECSA-N 2 1 331.504 2.053 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001484007042 1191152451 /nfs/dbraw/zinc/15/24/51/1191152451.db2.gz RJWNQVKXVFCNSE-HKUYNNGSSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001484101319 1191211191 /nfs/dbraw/zinc/21/11/91/1191211191.db2.gz QMPSRXHYAZBSQV-HXUWFJFHSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484385484 1191326048 /nfs/dbraw/zinc/32/60/48/1191326048.db2.gz JEIUXFVGBMMSTH-PKOBYXMFSA-N 2 1 329.488 2.379 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001484385484 1191326051 /nfs/dbraw/zinc/32/60/51/1191326051.db2.gz JEIUXFVGBMMSTH-PKOBYXMFSA-N 2 1 329.488 2.379 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462089 1191366076 /nfs/dbraw/zinc/36/60/76/1191366076.db2.gz BELGZZIQBAUBSP-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001410927652 1198592386 /nfs/dbraw/zinc/59/23/86/1198592386.db2.gz UZGLHRDMQIDVOD-ARFHVFGLSA-N 2 1 327.900 2.296 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108620 1198799900 /nfs/dbraw/zinc/79/99/00/1198799900.db2.gz UOZQNILZJQKXTM-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001411108620 1198799904 /nfs/dbraw/zinc/79/99/04/1198799904.db2.gz UOZQNILZJQKXTM-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001273980184 1202185511 /nfs/dbraw/zinc/18/55/11/1202185511.db2.gz VPKYSHYCTSTWLX-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609038 1205095588 /nfs/dbraw/zinc/09/55/88/1205095588.db2.gz HUOJNGLHFUXAOX-VZSQWMKGSA-N 2 1 340.471 2.195 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628662 /nfs/dbraw/zinc/62/86/62/1205628662.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628665 /nfs/dbraw/zinc/62/86/65/1205628665.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628669 /nfs/dbraw/zinc/62/86/69/1205628669.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628670 /nfs/dbraw/zinc/62/86/70/1205628670.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628675 /nfs/dbraw/zinc/62/86/75/1205628675.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001276179645 1205819106 /nfs/dbraw/zinc/81/91/06/1205819106.db2.gz KZGDVDNQXUVCHS-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)cc(C#N)c2)C1 ZINC000902326901 1237407764 /nfs/dbraw/zinc/40/77/64/1237407764.db2.gz ZQDQCNQJAZBXPH-HNNXBMFYSA-N 2 1 336.823 2.319 10 30 EEEEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)cc(C#N)c2)C1 ZINC000902326901 1237407775 /nfs/dbraw/zinc/40/77/75/1237407775.db2.gz ZQDQCNQJAZBXPH-HNNXBMFYSA-N 2 1 336.823 2.319 10 30 EEEEMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852886956 1292225375 /nfs/dbraw/zinc/22/53/75/1292225375.db2.gz ALBVFIYXEGECHY-FXAWDEMLSA-N 2 1 339.483 2.016 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676548 1310923119 /nfs/dbraw/zinc/92/31/19/1310923119.db2.gz ODSUQQBPNRKNBA-MOPGFXCFSA-N 2 1 348.535 2.284 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676548 1310923122 /nfs/dbraw/zinc/92/31/22/1310923122.db2.gz ODSUQQBPNRKNBA-MOPGFXCFSA-N 2 1 348.535 2.284 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001263871691 1322543187 /nfs/dbraw/zinc/54/31/87/1322543187.db2.gz NEUFDSRZBXBDAX-ULQDDVLXSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001264406557 1322692984 /nfs/dbraw/zinc/69/29/84/1322692984.db2.gz CVXBDDNERIFXLI-WOVMCDHWSA-N 2 1 339.443 2.332 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264596057 1322746271 /nfs/dbraw/zinc/74/62/71/1322746271.db2.gz GRPRYJGMODLYHJ-GUDVDZBRSA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264596057 1322746278 /nfs/dbraw/zinc/74/62/78/1322746278.db2.gz GRPRYJGMODLYHJ-GUDVDZBRSA-N 2 1 345.462 2.073 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001264996510 1322843872 /nfs/dbraw/zinc/84/38/72/1322843872.db2.gz JMNMZRLFTOERRC-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001264996510 1322843876 /nfs/dbraw/zinc/84/38/76/1322843876.db2.gz JMNMZRLFTOERRC-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001264996510 1322843882 /nfs/dbraw/zinc/84/38/82/1322843882.db2.gz JMNMZRLFTOERRC-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265303788 1323054412 /nfs/dbraw/zinc/05/44/12/1323054412.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303788 1323054417 /nfs/dbraw/zinc/05/44/17/1323054417.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001265303788 1323054423 /nfs/dbraw/zinc/05/44/23/1323054423.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266159233 1323728390 /nfs/dbraw/zinc/72/83/90/1323728390.db2.gz JGZYRAYTGVKAAJ-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266159233 1323728393 /nfs/dbraw/zinc/72/83/93/1323728393.db2.gz JGZYRAYTGVKAAJ-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266159233 1323728396 /nfs/dbraw/zinc/72/83/96/1323728396.db2.gz JGZYRAYTGVKAAJ-UXHICEINSA-N 2 1 341.499 2.489 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191887 1323754841 /nfs/dbraw/zinc/75/48/41/1323754841.db2.gz MBTNVMPRLQGWGA-INIZCTEOSA-N 2 1 333.451 2.002 10 30 EEEEMP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001281777937 1325450492 /nfs/dbraw/zinc/45/04/92/1325450492.db2.gz WPLJCTLUPRFBEK-FQEVSTJZSA-N 2 1 339.483 2.211 10 30 EEEEMP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001281777937 1325450499 /nfs/dbraw/zinc/45/04/99/1325450499.db2.gz WPLJCTLUPRFBEK-FQEVSTJZSA-N 2 1 339.483 2.211 10 30 EEEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964349 1325857259 /nfs/dbraw/zinc/85/72/59/1325857259.db2.gz GYLNXTFFDXYMGU-INIZCTEOSA-N 2 1 325.472 2.167 10 30 EEEEMP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283351287 1326024883 /nfs/dbraw/zinc/02/48/83/1326024883.db2.gz OOCODZBQGRJROF-ICSRJNTNSA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001491900172 1330295871 /nfs/dbraw/zinc/29/58/71/1330295871.db2.gz CHWIZJDSGHNHGY-VQIMIIECSA-N 2 1 329.488 2.351 10 30 EEEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491952272 1330343717 /nfs/dbraw/zinc/34/37/17/1330343717.db2.gz PXCHXVVIVMPSLQ-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001491952272 1330343721 /nfs/dbraw/zinc/34/37/21/1330343721.db2.gz PXCHXVVIVMPSLQ-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001491952272 1330343726 /nfs/dbraw/zinc/34/37/26/1330343726.db2.gz PXCHXVVIVMPSLQ-FQEVSTJZSA-N 2 1 341.499 2.107 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450811 1331263155 /nfs/dbraw/zinc/26/31/55/1331263155.db2.gz ZNXWMNXGNORCKG-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cccc(C#N)c1 ZINC001492450811 1331263160 /nfs/dbraw/zinc/26/31/60/1331263160.db2.gz ZNXWMNXGNORCKG-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1cccc(C#N)c1 ZINC001492450811 1331263162 /nfs/dbraw/zinc/26/31/62/1331263162.db2.gz ZNXWMNXGNORCKG-RBUKOAKNSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875176 /nfs/dbraw/zinc/87/51/76/1331875176.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875181 /nfs/dbraw/zinc/87/51/81/1331875181.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875187 /nfs/dbraw/zinc/87/51/87/1331875187.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317138204 1332095473 /nfs/dbraw/zinc/09/54/73/1332095473.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317138204 1332095475 /nfs/dbraw/zinc/09/54/75/1332095475.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317138204 1332095478 /nfs/dbraw/zinc/09/54/78/1332095478.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413455 1332219093 /nfs/dbraw/zinc/21/90/93/1332219093.db2.gz BHSDZWDZTIHPKT-RDJZCZTQSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432952 1332236806 /nfs/dbraw/zinc/23/68/06/1332236806.db2.gz WMOJJPCZSSCWFI-IBGZPJMESA-N 2 1 327.472 2.356 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001319038674 1332640333 /nfs/dbraw/zinc/64/03/33/1332640333.db2.gz SYWKNQMZGXJGJI-RBUKOAKNSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322354205 1333252181 /nfs/dbraw/zinc/25/21/81/1333252181.db2.gz MSXCFWUDJHSTMW-WBVHZDCISA-N 2 1 346.475 2.335 10 30 EEEEMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001323159354 1333399903 /nfs/dbraw/zinc/39/99/03/1333399903.db2.gz LBYRFSBIXZFJLP-SJORKVTESA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426853 1333680694 /nfs/dbraw/zinc/68/06/94/1333680694.db2.gz OEIHQGCUNNAQDW-IEBWSBKVSA-N 2 1 331.504 2.340 10 30 EEEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001324962410 1333797807 /nfs/dbraw/zinc/79/78/07/1333797807.db2.gz ZYSOPOCYNCNZJE-IBGZPJMESA-N 2 1 346.475 2.288 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001324962410 1333797809 /nfs/dbraw/zinc/79/78/09/1333797809.db2.gz ZYSOPOCYNCNZJE-IBGZPJMESA-N 2 1 346.475 2.288 10 30 EEEEMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CC[N@H+](C)CC)CC1 ZINC001325716087 1333946160 /nfs/dbraw/zinc/94/61/60/1333946160.db2.gz LPRNNNIEALXMPU-UHFFFAOYSA-N 2 1 344.503 2.402 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001327131178 1334230257 /nfs/dbraw/zinc/23/02/57/1334230257.db2.gz QZMDGOPQTKXDAN-HNNXBMFYSA-N 2 1 334.464 2.287 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001327131178 1334230262 /nfs/dbraw/zinc/23/02/62/1334230262.db2.gz QZMDGOPQTKXDAN-HNNXBMFYSA-N 2 1 334.464 2.287 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001331054857 1334954249 /nfs/dbraw/zinc/95/42/49/1334954249.db2.gz WUDBXXCRFCKCKC-UHFFFAOYSA-N 2 1 341.499 2.350 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001331644593 1335050943 /nfs/dbraw/zinc/05/09/43/1335050943.db2.gz PFKHHBSHTJTCJL-NWFCWYBLSA-N 2 1 346.302 2.087 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001332881154 1335924343 /nfs/dbraw/zinc/92/43/43/1335924343.db2.gz HIDOFOFOHPHPMX-ROUUACIJSA-N 2 1 329.488 2.433 10 30 EEEEMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1C#N ZINC001479849771 1337462729 /nfs/dbraw/zinc/46/27/29/1337462729.db2.gz OISNXROBYHFDJE-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1C#N ZINC001479849771 1337462732 /nfs/dbraw/zinc/46/27/32/1337462732.db2.gz OISNXROBYHFDJE-UHFFFAOYSA-N 2 1 339.443 2.092 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967920 1342668803 /nfs/dbraw/zinc/66/88/03/1342668803.db2.gz YUMBSTWVTZORIH-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC#Cc3ccccc3)CC2)C1 ZINC001566991143 1342674584 /nfs/dbraw/zinc/67/45/84/1342674584.db2.gz JRTIQWXYTKESGE-HDYDNRTBSA-N 2 1 339.483 2.007 10 30 EEEEMP CCCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001567726772 1342824608 /nfs/dbraw/zinc/82/46/08/1342824608.db2.gz VTRGXXDWLKLVPY-ROUUACIJSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001567726772 1342824613 /nfs/dbraw/zinc/82/46/13/1342824613.db2.gz VTRGXXDWLKLVPY-ROUUACIJSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001567726772 1342824619 /nfs/dbraw/zinc/82/46/19/1342824619.db2.gz VTRGXXDWLKLVPY-ROUUACIJSA-N 2 1 339.524 2.068 10 30 EEEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001567726772 1342824622 /nfs/dbraw/zinc/82/46/22/1342824622.db2.gz VTRGXXDWLKLVPY-ROUUACIJSA-N 2 1 339.524 2.068 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723120 1342932812 /nfs/dbraw/zinc/93/28/12/1342932812.db2.gz BSXYEPOAINARDH-FQEVSTJZSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884567 1342969532 /nfs/dbraw/zinc/96/95/32/1342969532.db2.gz VWRBUKUULLYFOB-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884567 1342969536 /nfs/dbraw/zinc/96/95/36/1342969536.db2.gz VWRBUKUULLYFOB-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884567 1342969538 /nfs/dbraw/zinc/96/95/38/1342969538.db2.gz VWRBUKUULLYFOB-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001569884567 1342969541 /nfs/dbraw/zinc/96/95/41/1342969541.db2.gz VWRBUKUULLYFOB-BGYRXZFFSA-N 2 1 341.499 2.475 10 30 EEEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570722550 1343107215 /nfs/dbraw/zinc/10/72/15/1343107215.db2.gz XCAVCLQBIKNOLB-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001571021766 1343153997 /nfs/dbraw/zinc/15/39/97/1343153997.db2.gz JQCLXUDBEJAOOS-FHWLQOOXSA-N 2 1 331.504 2.102 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001571490537 1343218571 /nfs/dbraw/zinc/21/85/71/1343218571.db2.gz FSTGULUAMBKIEN-VQIMIIECSA-N 2 1 345.462 2.098 10 30 EEEEMP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC001571502101 1343220659 /nfs/dbraw/zinc/22/06/59/1343220659.db2.gz ZZIZTDVGQOYHHR-WSTZPKSXSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001571502101 1343220661 /nfs/dbraw/zinc/22/06/61/1343220661.db2.gz ZZIZTDVGQOYHHR-WSTZPKSXSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001571502101 1343220664 /nfs/dbraw/zinc/22/06/64/1343220664.db2.gz ZZIZTDVGQOYHHR-WSTZPKSXSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1cccc(F)c1 ZINC001649437200 1353504605 /nfs/dbraw/zinc/50/46/05/1353504605.db2.gz NQDDTQDKMBUNAW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1cccc(F)c1 ZINC001649437200 1353504606 /nfs/dbraw/zinc/50/46/06/1353504606.db2.gz NQDDTQDKMBUNAW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cccc(F)c1 ZINC001649437200 1353504608 /nfs/dbraw/zinc/50/46/08/1353504608.db2.gz NQDDTQDKMBUNAW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cccc(F)c1 ZINC001649437200 1353504611 /nfs/dbraw/zinc/50/46/11/1353504611.db2.gz NQDDTQDKMBUNAW-IBGZPJMESA-N 2 1 345.462 2.252 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656839590 1354283000 /nfs/dbraw/zinc/28/30/00/1354283000.db2.gz GAXMFMJMBLZVSO-KSZLIROESA-N 2 1 331.504 2.217 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)CC2)CC1 ZINC001673406751 1354852559 /nfs/dbraw/zinc/85/25/59/1354852559.db2.gz IWPBRQLHPBJCBE-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760356 1355227735 /nfs/dbraw/zinc/22/77/35/1355227735.db2.gz QOAQMWYDNLXDTL-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760356 1355227737 /nfs/dbraw/zinc/22/77/37/1355227737.db2.gz QOAQMWYDNLXDTL-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001666145014 1355465891 /nfs/dbraw/zinc/46/58/91/1355465891.db2.gz BNLMLDKJNPKQQH-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001666500814 1355535229 /nfs/dbraw/zinc/53/52/29/1355535229.db2.gz BIAQBXLFINXFNT-UHFFFAOYSA-N 2 1 331.504 2.200 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669289249 1356140757 /nfs/dbraw/zinc/14/07/57/1356140757.db2.gz USHPWKRSIKZCTB-IEBWSBKVSA-N 2 1 327.472 2.005 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCOCC1 ZINC001671935046 1356441090 /nfs/dbraw/zinc/44/10/90/1356441090.db2.gz SIFHAHULBXUFBU-GOSISDBHSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001672916727 1356614678 /nfs/dbraw/zinc/61/46/78/1356614678.db2.gz RIQPJQHZEGTPHR-MJGOQNOKSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674034449 1356780087 /nfs/dbraw/zinc/78/00/87/1356780087.db2.gz UNVBLUQOPDOJCQ-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CCCCC1 ZINC001698882812 1405126369 /nfs/dbraw/zinc/12/63/69/1405126369.db2.gz JXTBWIAOHDHROL-MJGOQNOKSA-N 2 1 342.487 2.042 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001699975499 1405615841 /nfs/dbraw/zinc/61/58/41/1405615841.db2.gz DMKLNLFPKSEBEG-MHORFTMASA-N 2 1 337.483 2.049 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000940835436 779382263 /nfs/dbraw/zinc/38/22/63/779382263.db2.gz CILABQCSDXKOJM-QGZVFWFLSA-N 2 1 331.460 2.426 10 30 EEEEMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385757 789481813 /nfs/dbraw/zinc/48/18/13/789481813.db2.gz HPHXWLBTAJIDMQ-MOPGFXCFSA-N 2 1 343.471 2.010 10 30 EEEEMP C#CC[N@H+]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001147291379 791784344 /nfs/dbraw/zinc/78/43/44/791784344.db2.gz SSKYIUMXCHPTFI-HXUWFJFHSA-N 2 1 339.483 2.034 10 30 EEEEMP C#CC[N@@H+]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001147291379 791784346 /nfs/dbraw/zinc/78/43/46/791784346.db2.gz SSKYIUMXCHPTFI-HXUWFJFHSA-N 2 1 339.483 2.034 10 30 EEEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)C1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000086909810 795766042 /nfs/dbraw/zinc/76/60/42/795766042.db2.gz MZFYEAOBIAXZSS-ZWKOTPCHSA-N 2 1 343.519 2.162 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169994 1089192714 /nfs/dbraw/zinc/19/27/14/1089192714.db2.gz WGMVWULKVWAKQN-RHSMWYFYSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001439465973 1092249949 /nfs/dbraw/zinc/24/99/49/1092249949.db2.gz GYGIGBMPHQCDKY-HOTGVXAUSA-N 2 1 327.900 2.344 10 30 EEEEMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001446300022 1092468518 /nfs/dbraw/zinc/46/85/18/1092468518.db2.gz RUIUYGUTLXZVOG-BETUJISGSA-N 2 1 344.297 2.006 10 30 EEEEMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001446300022 1092468523 /nfs/dbraw/zinc/46/85/23/1092468523.db2.gz RUIUYGUTLXZVOG-BETUJISGSA-N 2 1 344.297 2.006 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001448526691 1093557911 /nfs/dbraw/zinc/55/79/11/1093557911.db2.gz YLTDWHZLFYKPHW-ZQIUZPCESA-N 2 1 345.890 2.436 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001440756808 1093999984 /nfs/dbraw/zinc/99/99/84/1093999984.db2.gz OBIJBLYSLJLFMM-PCKAHOCUSA-N 2 1 327.900 2.345 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001440825003 1094077160 /nfs/dbraw/zinc/07/71/60/1094077160.db2.gz BOXZLXMSUGUNCY-CHWSQXEVSA-N 2 1 333.823 2.116 10 30 EEEEMP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930692 1096118557 /nfs/dbraw/zinc/11/85/57/1096118557.db2.gz XHXDAPNSXXZLNA-MSOLQXFVSA-N 2 1 349.906 2.398 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001479526027 1098592037 /nfs/dbraw/zinc/59/20/37/1098592037.db2.gz OKKNFIJFPPKYCB-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001479526027 1098592042 /nfs/dbraw/zinc/59/20/42/1098592042.db2.gz OKKNFIJFPPKYCB-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001479696206 1098765259 /nfs/dbraw/zinc/76/52/59/1098765259.db2.gz USYGIQFLPAKCBH-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001479696206 1098765263 /nfs/dbraw/zinc/76/52/63/1098765263.db2.gz USYGIQFLPAKCBH-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001479872378 1099219837 /nfs/dbraw/zinc/21/98/37/1099219837.db2.gz GSNAVBRSHKCYKP-UHFFFAOYSA-N 2 1 339.443 2.428 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001496821030 1101536083 /nfs/dbraw/zinc/53/60/83/1101536083.db2.gz HBFSOGPVSWQFQL-UHFFFAOYSA-N 2 1 329.488 2.160 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001496821030 1101536092 /nfs/dbraw/zinc/53/60/92/1101536092.db2.gz HBFSOGPVSWQFQL-UHFFFAOYSA-N 2 1 329.488 2.160 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1F ZINC001497600620 1102730672 /nfs/dbraw/zinc/73/06/72/1102730672.db2.gz KWDNABSLHAPTLY-VAQJZUQRSA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1F ZINC001497600620 1102730680 /nfs/dbraw/zinc/73/06/80/1102730680.db2.gz KWDNABSLHAPTLY-VAQJZUQRSA-N 2 1 343.446 2.246 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001497662889 1102852745 /nfs/dbraw/zinc/85/27/45/1102852745.db2.gz MYJVLGPIRUNSIY-YKTDSXCKSA-N 2 1 340.471 2.051 10 30 EEEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001447812899 1103374273 /nfs/dbraw/zinc/37/42/73/1103374273.db2.gz YLTDWHZLFYKPHW-KVULBXGLSA-N 2 1 345.890 2.436 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001480735588 1107005972 /nfs/dbraw/zinc/00/59/72/1107005972.db2.gz VWANUSSCJAKENO-QGZVFWFLSA-N 2 1 346.450 2.072 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC001467750367 1110462800 /nfs/dbraw/zinc/46/28/00/1110462800.db2.gz SYZZUSJFKPRVII-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC001467750367 1110462802 /nfs/dbraw/zinc/46/28/02/1110462802.db2.gz SYZZUSJFKPRVII-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001501662468 1113421114 /nfs/dbraw/zinc/42/11/14/1113421114.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 2 1 327.472 2.098 10 30 EEEEMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001501662468 1113421116 /nfs/dbraw/zinc/42/11/16/1113421116.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 2 1 327.472 2.098 10 30 EEEEMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001501662468 1113421118 /nfs/dbraw/zinc/42/11/18/1113421118.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 2 1 327.472 2.098 10 30 EEEEMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001506720388 1114829470 /nfs/dbraw/zinc/82/94/70/1114829470.db2.gz HXQYLPSMUVWZTK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001506720388 1114829473 /nfs/dbraw/zinc/82/94/73/1114829473.db2.gz HXQYLPSMUVWZTK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001506720388 1114829475 /nfs/dbraw/zinc/82/94/75/1114829475.db2.gz HXQYLPSMUVWZTK-ICSRJNTNSA-N 2 1 349.519 2.130 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431418 1115265012 /nfs/dbraw/zinc/26/50/12/1115265012.db2.gz MPNZGRGQMDRBAN-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568392911 1124462755 /nfs/dbraw/zinc/46/27/55/1124462755.db2.gz ZFYNLMAMZSWBPE-RBUKOAKNSA-N 2 1 333.520 2.493 10 30 EEEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658766 463297273 /nfs/dbraw/zinc/29/72/73/463297273.db2.gz XCDFVWXVUXSTAC-INIZCTEOSA-N 2 1 340.471 2.336 10 30 EEEEMP C[C@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123026067 463310302 /nfs/dbraw/zinc/31/03/02/463310302.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 1 328.460 2.348 10 30 EEEEMP C[C@H](c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1)[NH+]1CCOCC1 ZINC000594439769 468588052 /nfs/dbraw/zinc/58/80/52/468588052.db2.gz ZJNCGELHOUZBJZ-QAPCUYQASA-N 2 1 344.459 2.430 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594439356 468588224 /nfs/dbraw/zinc/58/82/24/468588224.db2.gz UTWPKHBFSWEBPM-RDJZCZTQSA-N 2 1 348.516 2.488 10 30 EEEEMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1CCC(C(F)(F)F)CC1 ZINC000262556124 679543227 /nfs/dbraw/zinc/54/32/27/679543227.db2.gz UYMFSTVRHOMPPJ-ROKHWSDSSA-N 2 1 334.430 2.472 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266949441 1177873881 /nfs/dbraw/zinc/87/38/81/1177873881.db2.gz OTFVNEZNGOKBTF-ICSRJNTNSA-N 2 1 341.499 2.253 10 30 EEEEMP CC[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267226282 1178544351 /nfs/dbraw/zinc/54/43/51/1178544351.db2.gz QKGURENETGMZHE-QGZVFWFLSA-N 2 1 335.879 2.080 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001267733338 1180327644 /nfs/dbraw/zinc/32/76/44/1180327644.db2.gz LETXBCYQXIMMGR-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001267733338 1180327652 /nfs/dbraw/zinc/32/76/52/1180327652.db2.gz LETXBCYQXIMMGR-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001267733338 1180327658 /nfs/dbraw/zinc/32/76/58/1180327658.db2.gz LETXBCYQXIMMGR-RBUKOAKNSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1Cl ZINC001267807168 1180559266 /nfs/dbraw/zinc/55/92/66/1180559266.db2.gz SRHCXQDJVGJQNZ-WMZOPIPTSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1Cl ZINC001267807168 1180559270 /nfs/dbraw/zinc/55/92/70/1180559270.db2.gz SRHCXQDJVGJQNZ-WMZOPIPTSA-N 2 1 347.890 2.422 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809221 1180562878 /nfs/dbraw/zinc/56/28/78/1180562878.db2.gz HHCXFWUJLRGWKI-RBUKOAKNSA-N 2 1 345.462 2.146 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC#Cc1ccccc1 ZINC001268000580 1180951123 /nfs/dbraw/zinc/95/11/23/1180951123.db2.gz MYFXIZCLSMKYDC-BJLQDIEVSA-N 2 1 341.499 2.110 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001268206097 1182007184 /nfs/dbraw/zinc/00/71/84/1182007184.db2.gz PKUYNQXRVBBRBE-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1=CCCCC1 ZINC001481821076 1182750240 /nfs/dbraw/zinc/75/02/40/1182750240.db2.gz SZCDEORYOXHDEK-MOPGFXCFSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1=CCCCC1 ZINC001481821076 1182750246 /nfs/dbraw/zinc/75/02/46/1182750246.db2.gz SZCDEORYOXHDEK-MOPGFXCFSA-N 2 1 331.504 2.459 10 30 EEEEMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268666321 1183592693 /nfs/dbraw/zinc/59/26/93/1183592693.db2.gz NEMFGSYGAVNHHJ-QGZVFWFLSA-N 2 1 338.455 2.118 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001269998285 1184773794 /nfs/dbraw/zinc/77/37/94/1184773794.db2.gz XAOFXPQAXBALOO-SHTZXODSSA-N 2 1 334.464 2.333 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001270996836 1185796215 /nfs/dbraw/zinc/79/62/15/1185796215.db2.gz XBQUFEICNOIKDV-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001270996836 1185796220 /nfs/dbraw/zinc/79/62/20/1185796220.db2.gz XBQUFEICNOIKDV-PXNSSMCTSA-N 2 1 341.499 2.283 10 30 EEEEMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001271100124 1185884260 /nfs/dbraw/zinc/88/42/60/1185884260.db2.gz IKFUDLUBAXMQCP-HNNXBMFYSA-N 2 1 331.451 2.368 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271100124 1185884265 /nfs/dbraw/zinc/88/42/65/1185884265.db2.gz IKFUDLUBAXMQCP-HNNXBMFYSA-N 2 1 331.451 2.368 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271100124 1185884271 /nfs/dbraw/zinc/88/42/71/1185884271.db2.gz IKFUDLUBAXMQCP-HNNXBMFYSA-N 2 1 331.451 2.368 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001482531061 1186523527 /nfs/dbraw/zinc/52/35/27/1186523527.db2.gz IZZCVLPYBHERLY-PKOBYXMFSA-N 2 1 333.520 2.395 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552273 1186668458 /nfs/dbraw/zinc/66/84/58/1186668458.db2.gz CMHGZSREODYAOK-AZUAARDMSA-N 2 1 341.499 2.110 10 30 EEEEMP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482929589 1187850261 /nfs/dbraw/zinc/85/02/61/1187850261.db2.gz BNWFTOCMKVKVIY-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001279150888 1187907992 /nfs/dbraw/zinc/90/79/92/1187907992.db2.gz YNPLFGLYRPYBHA-AZUAARDMSA-N 2 1 343.515 2.421 10 30 EEEEMP C[C@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483346837 1190381607 /nfs/dbraw/zinc/38/16/07/1190381607.db2.gz FSZZXMUKBKRWGJ-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483346837 1190381611 /nfs/dbraw/zinc/38/16/11/1190381611.db2.gz FSZZXMUKBKRWGJ-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420451 1190466889 /nfs/dbraw/zinc/46/68/89/1190466889.db2.gz JHJSJXHNIAOYLD-GOSISDBHSA-N 2 1 341.499 2.277 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CCCC1 ZINC001484007043 1191152438 /nfs/dbraw/zinc/15/24/38/1191152438.db2.gz RJWNQVKXVFCNSE-IEBWSBKVSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468134 1191372670 /nfs/dbraw/zinc/37/26/70/1191372670.db2.gz XXEYMSZYTWAZMZ-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485057770 1191637739 /nfs/dbraw/zinc/63/77/39/1191637739.db2.gz ZVCPWFDULGPGBV-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485057770 1191637740 /nfs/dbraw/zinc/63/77/40/1191637740.db2.gz ZVCPWFDULGPGBV-IAGOWNOFSA-N 2 1 330.476 2.343 10 30 EEEEMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872240337 1198105957 /nfs/dbraw/zinc/10/59/57/1198105957.db2.gz WDTNLQORPYRHSP-RTWAWAEBSA-N 2 1 335.451 2.108 10 30 EEEEMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872240337 1198105960 /nfs/dbraw/zinc/10/59/60/1198105960.db2.gz WDTNLQORPYRHSP-RTWAWAEBSA-N 2 1 335.451 2.108 10 30 EEEEMP C#CCC1([NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933297050 1207755062 /nfs/dbraw/zinc/75/50/62/1207755062.db2.gz ADLNVTZXZVDGBH-IEBWSBKVSA-N 2 1 339.483 2.301 10 30 EEEEMP C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467528 1207968342 /nfs/dbraw/zinc/96/83/42/1207968342.db2.gz OFSLLLBMTYNSCF-YTQUADARSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934467528 1207968343 /nfs/dbraw/zinc/96/83/43/1207968343.db2.gz OFSLLLBMTYNSCF-YTQUADARSA-N 2 1 327.472 2.416 10 30 EEEEMP C=CC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000934467528 1207968345 /nfs/dbraw/zinc/96/83/45/1207968345.db2.gz OFSLLLBMTYNSCF-YTQUADARSA-N 2 1 327.472 2.416 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(C)C)C1 ZINC001267886996 1276747194 /nfs/dbraw/zinc/74/71/94/1276747194.db2.gz ZZIQDQXAPRCXLF-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(C)C)C1 ZINC001267886996 1276747200 /nfs/dbraw/zinc/74/72/00/1276747200.db2.gz ZZIQDQXAPRCXLF-MOPGFXCFSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001267894197 1276792231 /nfs/dbraw/zinc/79/22/31/1276792231.db2.gz USVHTDHESAQLJB-MRXNPFEDSA-N 2 1 346.475 2.288 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001264402961 1322691404 /nfs/dbraw/zinc/69/14/04/1322691404.db2.gz CIXCHGQAZNXLFS-YESZJQIVSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001264586641 1322741501 /nfs/dbraw/zinc/74/15/01/1322741501.db2.gz SDKPWGLVTWZGJH-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001264586641 1322741507 /nfs/dbraw/zinc/74/15/07/1322741507.db2.gz SDKPWGLVTWZGJH-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001264586641 1322741511 /nfs/dbraw/zinc/74/15/11/1322741511.db2.gz SDKPWGLVTWZGJH-BHIYHBOVSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCCC)CC[C@@H]2C1 ZINC001264646363 1322765396 /nfs/dbraw/zinc/76/53/96/1322765396.db2.gz LEFULWASQZOBJC-QYZOEREBSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCCC)CC[C@@H]2C1 ZINC001264646363 1322765403 /nfs/dbraw/zinc/76/54/03/1322765403.db2.gz LEFULWASQZOBJC-QYZOEREBSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCC)CC[C@@H]2C1 ZINC001264646363 1322765406 /nfs/dbraw/zinc/76/54/06/1322765406.db2.gz LEFULWASQZOBJC-QYZOEREBSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCC)CC[C@@H]2C1 ZINC001264646363 1322765411 /nfs/dbraw/zinc/76/54/11/1322765411.db2.gz LEFULWASQZOBJC-QYZOEREBSA-N 2 1 331.504 2.055 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007450 1323561074 /nfs/dbraw/zinc/56/10/74/1323561074.db2.gz YTGIQNPQQMEMMA-AEFFLSMTSA-N 2 1 330.476 2.354 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231670 1323811855 /nfs/dbraw/zinc/81/18/55/1323811855.db2.gz NKTAITPEJXLVRL-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266231670 1323811862 /nfs/dbraw/zinc/81/18/62/1323811862.db2.gz NKTAITPEJXLVRL-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001281912600 1325507519 /nfs/dbraw/zinc/50/75/19/1325507519.db2.gz PDEOJMGRHGOCAA-QKYXUNIQSA-N 2 1 327.472 2.276 10 30 EEEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001282567153 1325742048 /nfs/dbraw/zinc/74/20/48/1325742048.db2.gz GYBNHISTUUTLOE-QFBILLFUSA-N 2 1 339.499 2.295 10 30 EEEEMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796609 /nfs/dbraw/zinc/79/66/09/1325796609.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796610 /nfs/dbraw/zinc/79/66/10/1325796610.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796612 /nfs/dbraw/zinc/79/66/12/1325796612.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 2 1 341.499 2.011 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683253 1330204670 /nfs/dbraw/zinc/20/46/70/1330204670.db2.gz RDDNCHGUEBXMLF-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492164678 1331029673 /nfs/dbraw/zinc/02/96/73/1331029673.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164678 1331029679 /nfs/dbraw/zinc/02/96/79/1331029679.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492164678 1331029684 /nfs/dbraw/zinc/02/96/84/1331029684.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800151 1332413108 /nfs/dbraw/zinc/41/31/08/1332413108.db2.gz GGMDQTCFRUHJRF-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800151 1332413111 /nfs/dbraw/zinc/41/31/11/1332413111.db2.gz GGMDQTCFRUHJRF-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800152 1332413353 /nfs/dbraw/zinc/41/33/53/1332413353.db2.gz GGMDQTCFRUHJRF-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317800152 1332413356 /nfs/dbraw/zinc/41/33/56/1332413356.db2.gz GGMDQTCFRUHJRF-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001318553975 1332560011 /nfs/dbraw/zinc/56/00/11/1332560011.db2.gz DPTLTTWKVUARRW-FUHWJXTLSA-N 2 1 347.890 2.270 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001319562518 1332722051 /nfs/dbraw/zinc/72/20/51/1332722051.db2.gz LDBQHOISZZXHIT-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP C#CC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001319889493 1332792861 /nfs/dbraw/zinc/79/28/61/1332792861.db2.gz WWUYTQQUOAWOHI-UHFFFAOYSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001327035044 1334208310 /nfs/dbraw/zinc/20/83/10/1334208310.db2.gz NBYJCJQQHBMSNJ-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001329244060 1334614135 /nfs/dbraw/zinc/61/41/35/1334614135.db2.gz QREQSDDWYAIUQF-WWDZGPRUSA-N 2 1 342.487 2.136 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592005 1334680324 /nfs/dbraw/zinc/68/03/24/1334680324.db2.gz JZUSQFVGBYFVGT-CRAIPNDOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001329592005 1334680326 /nfs/dbraw/zinc/68/03/26/1334680326.db2.gz JZUSQFVGBYFVGT-CRAIPNDOSA-N 2 1 349.906 2.468 10 30 EEEEMP C=CC[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221880 1335773300 /nfs/dbraw/zinc/77/33/00/1335773300.db2.gz PIHPVUNRYYQEEO-RBUKOAKNSA-N 2 1 329.488 2.364 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812192 1335912079 /nfs/dbraw/zinc/91/20/79/1335912079.db2.gz ZENFADBFUYQQMX-WMZOPIPTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001333473200 1336055240 /nfs/dbraw/zinc/05/52/40/1336055240.db2.gz MSFPTLZDQJOFKX-GOSISDBHSA-N 2 1 345.462 2.287 10 30 EEEEMP C=CCC(C)(C)CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336100424 1336480159 /nfs/dbraw/zinc/48/01/59/1336480159.db2.gz NKFOXJYVBLNZRF-CALCHBBNSA-N 2 1 334.508 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC001665803706 1355390603 /nfs/dbraw/zinc/39/06/03/1355390603.db2.gz BFXZHSQDKKFGOV-UXHICEINSA-N 2 1 341.499 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC001665803706 1355390610 /nfs/dbraw/zinc/39/06/10/1355390610.db2.gz BFXZHSQDKKFGOV-UXHICEINSA-N 2 1 341.499 2.331 10 30 EEEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001566724333 1342614875 /nfs/dbraw/zinc/61/48/75/1342614875.db2.gz HBQNGIXQRMGDCT-CRAIPNDOSA-N 2 1 325.472 2.259 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553109 1343084191 /nfs/dbraw/zinc/08/41/91/1343084191.db2.gz DIFMWMOKZFQHFG-LJQANCHMSA-N 2 1 345.531 2.302 10 30 EEEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571307789 1343177049 /nfs/dbraw/zinc/17/70/49/1343177049.db2.gz HLMYFJRPXAJYBO-DZGCQCFKSA-N 2 1 338.883 2.381 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001676838399 1357218045 /nfs/dbraw/zinc/21/80/45/1357218045.db2.gz SWZZESYCAVTZQV-OKZBNKHCSA-N 2 1 330.476 2.374 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001676845664 1357218982 /nfs/dbraw/zinc/21/89/82/1357218982.db2.gz MBHZRIHKKPTKDH-FGTMMUONSA-N 2 1 333.520 2.204 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001656176034 1354211383 /nfs/dbraw/zinc/21/13/83/1354211383.db2.gz NIJGOCYAFCOKGX-IZAXUBKRSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001660468653 1354469388 /nfs/dbraw/zinc/46/93/88/1354469388.db2.gz ZCWYOBCTJYARLB-SJORKVTESA-N 2 1 330.476 2.389 10 30 EEEEMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001664008637 1355073113 /nfs/dbraw/zinc/07/31/13/1355073113.db2.gz KSMVRRHFIGGBIN-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001671487087 1356348204 /nfs/dbraw/zinc/34/82/04/1356348204.db2.gz KOWMIGGFBGLWFN-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001671843157 1356424512 /nfs/dbraw/zinc/42/45/12/1356424512.db2.gz SVPCTAWRSAXGNE-SFHVURJKSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001671843157 1356424514 /nfs/dbraw/zinc/42/45/14/1356424514.db2.gz SVPCTAWRSAXGNE-SFHVURJKSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC=C)CC1 ZINC001672543373 1356551606 /nfs/dbraw/zinc/55/16/06/1356551606.db2.gz IIPQVRAQXRSSFN-VQTJNVASSA-N 2 1 343.515 2.363 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCCC1)CCO2 ZINC001673522379 1356702373 /nfs/dbraw/zinc/70/23/73/1356702373.db2.gz OHQSCQXSJSOZPW-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001699103836 1405257320 /nfs/dbraw/zinc/25/73/20/1405257320.db2.gz ABELGYUFGABVET-YOEHRIQHSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001699103836 1405257326 /nfs/dbraw/zinc/25/73/26/1405257326.db2.gz ABELGYUFGABVET-YOEHRIQHSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C ZINC001699105399 1405258933 /nfs/dbraw/zinc/25/89/33/1405258933.db2.gz TZSWSZQBPFTKBJ-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C ZINC001699105399 1405258936 /nfs/dbraw/zinc/25/89/36/1405258936.db2.gz TZSWSZQBPFTKBJ-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001699577394 1405402104 /nfs/dbraw/zinc/40/21/04/1405402104.db2.gz GBGABWXQBZTVOP-ROUUACIJSA-N 2 1 331.504 2.005 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001699577394 1405402107 /nfs/dbraw/zinc/40/21/07/1405402107.db2.gz GBGABWXQBZTVOP-ROUUACIJSA-N 2 1 331.504 2.005 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001699975500 1405616333 /nfs/dbraw/zinc/61/63/33/1405616333.db2.gz DMKLNLFPKSEBEG-XMTFNYHQSA-N 2 1 337.483 2.049 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001566453028 1125612371 /nfs/dbraw/zinc/61/23/71/1125612371.db2.gz CHMPACCZMWPPOO-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566453028 1125612376 /nfs/dbraw/zinc/61/23/76/1125612376.db2.gz CHMPACCZMWPPOO-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566453028 1125612379 /nfs/dbraw/zinc/61/23/79/1125612379.db2.gz CHMPACCZMWPPOO-LJQANCHMSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592007 /nfs/dbraw/zinc/59/20/07/1093592007.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592012 /nfs/dbraw/zinc/59/20/12/1093592012.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 2 1 342.487 2.321 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592016 /nfs/dbraw/zinc/59/20/16/1093592016.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 2 1 342.487 2.321 10 30 EEEEMP C=C(Br)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686087 1095668255 /nfs/dbraw/zinc/66/82/55/1095668255.db2.gz JTBJHCGRBYTMME-KGLIPLIRSA-N 2 1 346.313 2.063 10 30 EEEEMP C=C(Br)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441686087 1095668262 /nfs/dbraw/zinc/66/82/62/1095668262.db2.gz JTBJHCGRBYTMME-KGLIPLIRSA-N 2 1 346.313 2.063 10 30 EEEEMP C[NH+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001446469147 1100893537 /nfs/dbraw/zinc/89/35/37/1100893537.db2.gz IVRSIOYGMPIOSK-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022549 1103371683 /nfs/dbraw/zinc/37/16/83/1103371683.db2.gz VGCHFKQYMOOSDI-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494022549 1103371694 /nfs/dbraw/zinc/37/16/94/1103371694.db2.gz VGCHFKQYMOOSDI-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494022549 1103371706 /nfs/dbraw/zinc/37/17/06/1103371706.db2.gz VGCHFKQYMOOSDI-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001494199540 1103686206 /nfs/dbraw/zinc/68/62/06/1103686206.db2.gz YZOFDMOBSPZAPP-UHFFFAOYSA-N 2 1 330.476 2.120 10 30 EEEEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC#Cc1ccccc1 ZINC001494983445 1104626784 /nfs/dbraw/zinc/62/67/84/1104626784.db2.gz NSYXKAMSSFAMPW-SLFFLAALSA-N 2 1 341.499 2.253 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001498044943 1106831382 /nfs/dbraw/zinc/83/13/82/1106831382.db2.gz CMWSFVKYUKCTOE-QANKJYHBSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001498055246 1106851127 /nfs/dbraw/zinc/85/11/27/1106851127.db2.gz NQLVDXUCPHRFKV-WMZOPIPTSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001498055246 1106851143 /nfs/dbraw/zinc/85/11/43/1106851143.db2.gz NQLVDXUCPHRFKV-WMZOPIPTSA-N 2 1 333.520 2.395 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001505921923 1114277886 /nfs/dbraw/zinc/27/78/86/1114277886.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001505921923 1114277889 /nfs/dbraw/zinc/27/78/89/1114277889.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001505921923 1114277894 /nfs/dbraw/zinc/27/78/94/1114277894.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 2 1 342.487 2.225 10 30 EEEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445372 1115273375 /nfs/dbraw/zinc/27/33/75/1115273375.db2.gz BEFQGXOYFKSSTO-DNVCBOLYSA-N 2 1 337.483 2.049 10 30 EEEEMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118376 1115423090 /nfs/dbraw/zinc/42/30/90/1115423090.db2.gz KBPKCPGFRLCMNV-SOAGJPPSSA-N 2 1 339.483 2.101 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001568118477 1124312273 /nfs/dbraw/zinc/31/22/73/1124312273.db2.gz UNSSBSQLMJBWPB-IBGZPJMESA-N 2 1 327.472 2.290 10 30 EEEEMP CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330031415 465512410 /nfs/dbraw/zinc/51/24/10/465512410.db2.gz TYKDBRKTLPYDGT-AWEZNQCLSA-N 2 1 330.436 2.012 10 30 EEEEMP CC[N@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330031415 465512415 /nfs/dbraw/zinc/51/24/15/465512415.db2.gz TYKDBRKTLPYDGT-AWEZNQCLSA-N 2 1 330.436 2.012 10 30 EEEEMP CC(C)(C#N)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594497510 468609287 /nfs/dbraw/zinc/60/92/87/468609287.db2.gz CRUPDUANVVSYCZ-QGZVFWFLSA-N 2 1 342.487 2.165 10 30 EEEEMP C[N@@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600714217 468630292 /nfs/dbraw/zinc/63/02/92/468630292.db2.gz KPNCCIRLBFTYMY-IBGZPJMESA-N 2 1 345.487 2.169 10 30 EEEEMP C[C@]1(C#N)CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000602536212 469353550 /nfs/dbraw/zinc/35/35/50/469353550.db2.gz RHBQRYLBGHFYEA-LJQANCHMSA-N 2 1 340.471 2.132 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1CC2(CCC2)C1 ZINC001266562600 1176852044 /nfs/dbraw/zinc/85/20/44/1176852044.db2.gz HRRAZBVQAXATQR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC1CC2(CCC2)C1 ZINC001266562600 1176852053 /nfs/dbraw/zinc/85/20/53/1176852053.db2.gz HRRAZBVQAXATQR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC2(CCC2)C1 ZINC001266562600 1176852061 /nfs/dbraw/zinc/85/20/61/1176852061.db2.gz HRRAZBVQAXATQR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC2(CCC2)C1 ZINC001266562600 1176852068 /nfs/dbraw/zinc/85/20/68/1176852068.db2.gz HRRAZBVQAXATQR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691114803 1177605477 /nfs/dbraw/zinc/60/54/77/1177605477.db2.gz WSNUZFLFAGSOEE-DAYGRLMNSA-N 2 1 325.472 2.259 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC001268040252 1181399708 /nfs/dbraw/zinc/39/97/08/1181399708.db2.gz DVWWYZDTCDNUQP-UHFFFAOYSA-N 2 1 339.443 2.476 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001268459067 1182727417 /nfs/dbraw/zinc/72/74/17/1182727417.db2.gz NAYGUQFFIYIADR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001268459067 1182727423 /nfs/dbraw/zinc/72/74/23/1182727423.db2.gz NAYGUQFFIYIADR-IBGZPJMESA-N 2 1 345.531 2.493 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268542091 1183213278 /nfs/dbraw/zinc/21/32/78/1183213278.db2.gz OSWJHPCHILGYID-CWIOURORSA-N 2 1 346.500 2.255 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268547125 1183229060 /nfs/dbraw/zinc/22/90/60/1183229060.db2.gz FHIDIFNICULYMM-VOFKWLDRSA-N 2 1 340.471 2.195 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268547125 1183229063 /nfs/dbraw/zinc/22/90/63/1183229063.db2.gz FHIDIFNICULYMM-VOFKWLDRSA-N 2 1 340.471 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCc1ccc(C)cc1 ZINC001268689803 1183613341 /nfs/dbraw/zinc/61/33/41/1183613341.db2.gz BWLLZTRUCJXEFU-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCc1ccc(C)cc1 ZINC001268689803 1183613345 /nfs/dbraw/zinc/61/33/45/1183613345.db2.gz BWLLZTRUCJXEFU-ICSRJNTNSA-N 2 1 341.499 2.120 10 30 EEEEMP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292778 1184146192 /nfs/dbraw/zinc/14/61/92/1184146192.db2.gz PQXBTLMVJUUBIS-OALUTQOASA-N 2 1 345.462 2.050 10 30 EEEEMP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001269292778 1184146195 /nfs/dbraw/zinc/14/61/95/1184146195.db2.gz PQXBTLMVJUUBIS-OALUTQOASA-N 2 1 345.462 2.050 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001269798087 1184626776 /nfs/dbraw/zinc/62/67/76/1184626776.db2.gz HLDPGOFREFSXGF-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568004 1185178410 /nfs/dbraw/zinc/17/84/10/1185178410.db2.gz KFWDFRVJLUHZOU-MRXNPFEDSA-N 2 1 349.906 2.375 10 30 EEEEMP CN(CC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)CCCC[NH+](C)C ZINC001482643058 1187473779 /nfs/dbraw/zinc/47/37/79/1187473779.db2.gz CKMYEMGZFXYCDG-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)CCCC[NH+](C)C ZINC001482643058 1187473784 /nfs/dbraw/zinc/47/37/84/1187473784.db2.gz CKMYEMGZFXYCDG-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272784444 1193497069 /nfs/dbraw/zinc/49/70/69/1193497069.db2.gz UXJLFVOPLGHJBU-JJRVBVJISA-N 2 1 346.450 2.022 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987673 1191143572 /nfs/dbraw/zinc/14/35/72/1191143572.db2.gz ZIKDMHWSJBBUJT-GOSISDBHSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001484138930 1191229978 /nfs/dbraw/zinc/22/99/78/1191229978.db2.gz SHLWHFOOJRFDTL-MSOLQXFVSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001484176252 1191261186 /nfs/dbraw/zinc/26/11/86/1191261186.db2.gz XASCRWTTWQXCKK-IBGZPJMESA-N 2 1 339.443 2.285 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001484176252 1191261188 /nfs/dbraw/zinc/26/11/88/1191261188.db2.gz XASCRWTTWQXCKK-IBGZPJMESA-N 2 1 339.443 2.285 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322605 1191304245 /nfs/dbraw/zinc/30/42/45/1191304245.db2.gz APKVOVKUSUWOEL-YVWKXTFCSA-N 2 1 341.499 2.359 10 30 EEEEMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612180 1191437163 /nfs/dbraw/zinc/43/71/63/1191437163.db2.gz MPTLPJCBECTWQZ-FQEVSTJZSA-N 2 1 341.499 2.270 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484716496 1191480679 /nfs/dbraw/zinc/48/06/79/1191480679.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484716496 1191480681 /nfs/dbraw/zinc/48/06/81/1191480681.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484716496 1191480683 /nfs/dbraw/zinc/48/06/83/1191480683.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCF)CC1 ZINC001484716496 1191480685 /nfs/dbraw/zinc/48/06/85/1191480685.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCF)CC1 ZINC001484716496 1191480687 /nfs/dbraw/zinc/48/06/87/1191480687.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 1 337.483 2.195 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001485251777 1191704144 /nfs/dbraw/zinc/70/41/44/1191704144.db2.gz MTHBNEUMYRDZGJ-QGZVFWFLSA-N 2 1 347.507 2.440 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001485251777 1191704145 /nfs/dbraw/zinc/70/41/45/1191704145.db2.gz MTHBNEUMYRDZGJ-QGZVFWFLSA-N 2 1 347.507 2.440 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767322 1199765105 /nfs/dbraw/zinc/76/51/05/1199765105.db2.gz GPQHHFQUHQDIGP-JQFCIGGWSA-N 2 1 335.879 2.483 10 30 EEEEMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274856454 1205189157 /nfs/dbraw/zinc/18/91/57/1205189157.db2.gz KYARSFLWHJSHOW-MOPGFXCFSA-N 2 1 327.472 2.066 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274856454 1205189161 /nfs/dbraw/zinc/18/91/61/1205189161.db2.gz KYARSFLWHJSHOW-MOPGFXCFSA-N 2 1 327.472 2.066 10 30 EEEEMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001280593256 1205213211 /nfs/dbraw/zinc/21/32/11/1205213211.db2.gz AECXPRWGUQIOGS-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CN(CCC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)CCC[NH+](C)C ZINC001273553874 1279780164 /nfs/dbraw/zinc/78/01/64/1279780164.db2.gz JFMWTJQWBBFMSD-UHFFFAOYSA-N 2 1 347.478 2.299 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCCC1)CO2 ZINC001273729380 1284281474 /nfs/dbraw/zinc/28/14/74/1284281474.db2.gz QNJOWMVZRZRAHA-SFHVURJKSA-N 2 1 349.519 2.178 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001277369283 1302697955 /nfs/dbraw/zinc/69/79/55/1302697955.db2.gz VUSZPJPYWDTKSB-MOPGFXCFSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001264173951 1322648660 /nfs/dbraw/zinc/64/86/60/1322648660.db2.gz LHYLKGDLYRAWGM-SQNIBIBYSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001264173951 1322648665 /nfs/dbraw/zinc/64/86/65/1322648665.db2.gz LHYLKGDLYRAWGM-SQNIBIBYSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001264173951 1322648670 /nfs/dbraw/zinc/64/86/70/1322648670.db2.gz LHYLKGDLYRAWGM-SQNIBIBYSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001264173951 1322648675 /nfs/dbraw/zinc/64/86/75/1322648675.db2.gz LHYLKGDLYRAWGM-SQNIBIBYSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001264447496 1322703388 /nfs/dbraw/zinc/70/33/88/1322703388.db2.gz GIQPTQIFQGUXNH-VQTJNVASSA-N 2 1 339.483 2.080 10 30 EEEEMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001264447496 1322703392 /nfs/dbraw/zinc/70/33/92/1322703392.db2.gz GIQPTQIFQGUXNH-VQTJNVASSA-N 2 1 339.483 2.080 10 30 EEEEMP C[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264996849 1322844391 /nfs/dbraw/zinc/84/43/91/1322844391.db2.gz RBDYKSBCNFZSNH-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001264996849 1322844395 /nfs/dbraw/zinc/84/43/95/1322844395.db2.gz RBDYKSBCNFZSNH-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001264996849 1322844401 /nfs/dbraw/zinc/84/44/01/1322844401.db2.gz RBDYKSBCNFZSNH-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001264996512 1322844986 /nfs/dbraw/zinc/84/49/86/1322844986.db2.gz JMNMZRLFTOERRC-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001264996512 1322844992 /nfs/dbraw/zinc/84/49/92/1322844992.db2.gz JMNMZRLFTOERRC-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001264996512 1322844997 /nfs/dbraw/zinc/84/49/97/1322844997.db2.gz JMNMZRLFTOERRC-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007453 1323560956 /nfs/dbraw/zinc/56/09/56/1323560956.db2.gz YTGIQNPQQMEMMA-WMZOPIPTSA-N 2 1 330.476 2.354 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)O2 ZINC001280929261 1324646876 /nfs/dbraw/zinc/64/68/76/1324646876.db2.gz CSMIQKYDOUOEKT-QZTJIDSGSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001276606804 1324755685 /nfs/dbraw/zinc/75/56/85/1324755685.db2.gz AOAYKXADLXOKSS-INIZCTEOSA-N 2 1 348.491 2.036 10 30 EEEEMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001276606804 1324755689 /nfs/dbraw/zinc/75/56/89/1324755689.db2.gz AOAYKXADLXOKSS-INIZCTEOSA-N 2 1 348.491 2.036 10 30 EEEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](F)C[NH+](CC)CC)cc2C1 ZINC001281292401 1324939223 /nfs/dbraw/zinc/93/92/23/1324939223.db2.gz DFAHPUQSIAWHPG-GOSISDBHSA-N 2 1 333.451 2.484 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364324 1325700095 /nfs/dbraw/zinc/70/00/95/1325700095.db2.gz MIPISIRLXOLTDE-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364324 1325700097 /nfs/dbraw/zinc/70/00/97/1325700097.db2.gz MIPISIRLXOLTDE-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364324 1325700098 /nfs/dbraw/zinc/70/00/98/1325700098.db2.gz MIPISIRLXOLTDE-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282364324 1325700102 /nfs/dbraw/zinc/70/01/02/1325700102.db2.gz MIPISIRLXOLTDE-CRAIPNDOSA-N 2 1 347.890 2.222 10 30 EEEEMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282664319 1325759841 /nfs/dbraw/zinc/75/98/41/1325759841.db2.gz HNYDLYDDKGMJHK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282664319 1325759844 /nfs/dbraw/zinc/75/98/44/1325759844.db2.gz HNYDLYDDKGMJHK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282664319 1325759847 /nfs/dbraw/zinc/75/98/47/1325759847.db2.gz HNYDLYDDKGMJHK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282664319 1325759850 /nfs/dbraw/zinc/75/98/50/1325759850.db2.gz HNYDLYDDKGMJHK-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944351 1325845866 /nfs/dbraw/zinc/84/58/66/1325845866.db2.gz AJTCETMXUBJWKG-OTWHNJEPSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944351 1325845871 /nfs/dbraw/zinc/84/58/71/1325845871.db2.gz AJTCETMXUBJWKG-OTWHNJEPSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944351 1325845874 /nfs/dbraw/zinc/84/58/74/1325845874.db2.gz AJTCETMXUBJWKG-OTWHNJEPSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001316873972 1331943499 /nfs/dbraw/zinc/94/34/99/1331943499.db2.gz IVGRJHYCWTXKQH-RHSMWYFYSA-N 2 1 334.464 2.285 10 30 EEEEMP C#CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001317375908 1332203380 /nfs/dbraw/zinc/20/33/80/1332203380.db2.gz OOUKAMXUSCQENO-FQEVSTJZSA-N 2 1 341.499 2.333 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC001317458783 1332251663 /nfs/dbraw/zinc/25/16/63/1332251663.db2.gz QWEZAOKACCKGQS-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC001317458783 1332251667 /nfs/dbraw/zinc/25/16/67/1332251667.db2.gz QWEZAOKACCKGQS-UHFFFAOYSA-N 2 1 347.890 2.081 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001318205992 1332488292 /nfs/dbraw/zinc/48/82/92/1332488292.db2.gz MJHSJFZIYXEIOZ-IRXDYDNUSA-N 2 1 337.427 2.132 10 30 EEEEMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001328467847 1334463502 /nfs/dbraw/zinc/46/35/02/1334463502.db2.gz HEMCQSUKLWKGIY-FQEVSTJZSA-N 2 1 341.499 2.457 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797468 1334523619 /nfs/dbraw/zinc/52/36/19/1334523619.db2.gz NTZBUWMEMNSXBB-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330539333 1334866967 /nfs/dbraw/zinc/86/69/67/1334866967.db2.gz UZMDCEOIGUXAKH-BGYRXZFFSA-N 2 1 331.504 2.056 10 30 EEEEMP C#CCC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001338491944 1336867952 /nfs/dbraw/zinc/86/79/52/1336867952.db2.gz QCKWLOMGJJKBSK-LBPRGKRZSA-N 2 1 328.325 2.012 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546239 1342208643 /nfs/dbraw/zinc/20/86/43/1342208643.db2.gz QCSNYSXXPQYPJO-QGZVFWFLSA-N 2 1 339.911 2.395 10 30 EEEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001506576870 1342256601 /nfs/dbraw/zinc/25/66/01/1342256601.db2.gz WPARHZXQOLLHJT-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001506576870 1342256602 /nfs/dbraw/zinc/25/66/02/1342256602.db2.gz WPARHZXQOLLHJT-GOSISDBHSA-N 2 1 330.476 2.356 10 30 EEEEMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566879543 1342647122 /nfs/dbraw/zinc/64/71/22/1342647122.db2.gz OPZQFFILMOUZAE-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879543 1342647123 /nfs/dbraw/zinc/64/71/23/1342647123.db2.gz OPZQFFILMOUZAE-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001566879543 1342647125 /nfs/dbraw/zinc/64/71/25/1342647125.db2.gz OPZQFFILMOUZAE-IEBWSBKVSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001567324329 1342740714 /nfs/dbraw/zinc/74/07/14/1342740714.db2.gz KJSLAHVPHALNPF-UHFFFAOYSA-N 2 1 333.520 2.350 10 30 EEEEMP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571480108 1343217073 /nfs/dbraw/zinc/21/70/73/1343217073.db2.gz ZTKUHSVUWORRHL-MJGOQNOKSA-N 2 1 339.483 2.101 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001649458977 1353516865 /nfs/dbraw/zinc/51/68/65/1353516865.db2.gz RBINJRNGDFFSRH-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666458811 1355529147 /nfs/dbraw/zinc/52/91/47/1355529147.db2.gz VQRNJXKLYVPCOJ-CRAIPNDOSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671504118 1356351771 /nfs/dbraw/zinc/35/17/71/1356351771.db2.gz OOSPMDVGTQWPHN-SFHVURJKSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001672368808 1356510200 /nfs/dbraw/zinc/51/02/00/1356510200.db2.gz IWFCTYCKGVTJTG-GUDVDZBRSA-N 2 1 333.520 2.396 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001672929695 1356617375 /nfs/dbraw/zinc/61/73/75/1356617375.db2.gz PUKNBEMJUIXPIB-PMACEKPBSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001672929695 1356617380 /nfs/dbraw/zinc/61/73/80/1356617380.db2.gz PUKNBEMJUIXPIB-PMACEKPBSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001672929695 1356617385 /nfs/dbraw/zinc/61/73/85/1356617385.db2.gz PUKNBEMJUIXPIB-PMACEKPBSA-N 2 1 339.483 2.385 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001673645354 1356725349 /nfs/dbraw/zinc/72/53/49/1356725349.db2.gz JGQAYCGZSBBMQE-PKOBYXMFSA-N 2 1 337.483 2.004 10 30 EEEEMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001675698239 1357039335 /nfs/dbraw/zinc/03/93/35/1357039335.db2.gz SVXJMTFJHROPDB-OYRHEFFESA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001675756837 1357046791 /nfs/dbraw/zinc/04/67/91/1357046791.db2.gz SXJJRBAWBQUMFK-UFYCRDLUSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001675756837 1357046795 /nfs/dbraw/zinc/04/67/95/1357046795.db2.gz SXJJRBAWBQUMFK-UFYCRDLUSA-N 2 1 343.515 2.459 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699116318 1405271520 /nfs/dbraw/zinc/27/15/20/1405271520.db2.gz WXWODSXAFDEACN-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)C)CC1(C)C ZINC000940811403 779356410 /nfs/dbraw/zinc/35/64/10/779356410.db2.gz JMFDYHNAIDIBQS-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC000940811403 779356415 /nfs/dbraw/zinc/35/64/15/779356415.db2.gz JMFDYHNAIDIBQS-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)CC1(C)C ZINC000940811403 779356418 /nfs/dbraw/zinc/35/64/18/779356418.db2.gz JMFDYHNAIDIBQS-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)CC1(C)C ZINC000940811403 779356426 /nfs/dbraw/zinc/35/64/26/779356426.db2.gz JMFDYHNAIDIBQS-ZWKOTPCHSA-N 2 1 333.520 2.347 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001565995446 1125492543 /nfs/dbraw/zinc/49/25/43/1125492543.db2.gz RRUXROKMLXNJDR-HOJAQTOUSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001566124853 1125573478 /nfs/dbraw/zinc/57/34/78/1125573478.db2.gz KMOUVUTVBXKBMT-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001566124853 1125573482 /nfs/dbraw/zinc/57/34/82/1125573482.db2.gz KMOUVUTVBXKBMT-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001566124853 1125573485 /nfs/dbraw/zinc/57/34/85/1125573485.db2.gz KMOUVUTVBXKBMT-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001566124853 1125573489 /nfs/dbraw/zinc/57/34/89/1125573489.db2.gz KMOUVUTVBXKBMT-IBGZPJMESA-N 2 1 327.472 2.065 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654827 1093927587 /nfs/dbraw/zinc/92/75/87/1093927587.db2.gz XZOXMBNGQRHIQX-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654827 1093927589 /nfs/dbraw/zinc/92/75/89/1093927589.db2.gz XZOXMBNGQRHIQX-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654827 1093927593 /nfs/dbraw/zinc/92/75/93/1093927593.db2.gz XZOXMBNGQRHIQX-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854417 1095946734 /nfs/dbraw/zinc/94/67/34/1095946734.db2.gz DROAEIRQGOOIHW-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854417 1095946740 /nfs/dbraw/zinc/94/67/40/1095946740.db2.gz DROAEIRQGOOIHW-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001442321357 1096640365 /nfs/dbraw/zinc/64/03/65/1096640365.db2.gz OBPSCHJZRAZFMQ-GDBMZVCRSA-N 2 1 346.450 2.024 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609365 1099436034 /nfs/dbraw/zinc/43/60/34/1099436034.db2.gz COWLPYGXHSKREA-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001478519409 1110655234 /nfs/dbraw/zinc/65/52/34/1110655234.db2.gz AQVPZSDTJAHLFY-UHFFFAOYSA-N 2 1 348.535 2.287 10 30 EEEEMP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001499538761 1112353215 /nfs/dbraw/zinc/35/32/15/1112353215.db2.gz MPIKVLJXDKRDNI-UHFFFAOYSA-N 2 1 348.491 2.203 10 30 EEEEMP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001499538761 1112353221 /nfs/dbraw/zinc/35/32/21/1112353221.db2.gz MPIKVLJXDKRDNI-UHFFFAOYSA-N 2 1 348.491 2.203 10 30 EEEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394715 1113340875 /nfs/dbraw/zinc/34/08/75/1113340875.db2.gz JJEOYWZYCPAPGI-ROUUACIJSA-N 2 1 331.504 2.197 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001505528015 1114035890 /nfs/dbraw/zinc/03/58/90/1114035890.db2.gz CEPGARAQWLSWRH-UHFFFAOYSA-N 2 1 346.450 2.024 10 30 EEEEMP COc1ccc(C#N)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000159936657 533268063 /nfs/dbraw/zinc/26/80/63/533268063.db2.gz DNRXGMLYOYUUHO-HNNXBMFYSA-N 2 1 331.460 2.091 10 30 EEEEMP C[C@@H](c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1)[NH+]1CCOCC1 ZINC000594439768 468587859 /nfs/dbraw/zinc/58/78/59/468587859.db2.gz ZJNCGELHOUZBJZ-MAUKXSAKSA-N 2 1 344.459 2.430 10 30 EEEEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722353 468635581 /nfs/dbraw/zinc/63/55/81/468635581.db2.gz RJKGVHFSUDVLAQ-QFBILLFUSA-N 2 1 343.471 2.052 10 30 EEEEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)CCO1 ZINC000600722353 468635586 /nfs/dbraw/zinc/63/55/86/468635586.db2.gz RJKGVHFSUDVLAQ-QFBILLFUSA-N 2 1 343.471 2.052 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799705 471224177 /nfs/dbraw/zinc/22/41/77/471224177.db2.gz FSMOIRFUEXXNHV-QUCCMNQESA-N 2 1 327.472 2.323 10 30 EEEEMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261992288 677743024 /nfs/dbraw/zinc/74/30/24/677743024.db2.gz ROYLLKWZMHOJNC-QXDIGNSFSA-N 2 1 348.535 2.228 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266713066 1177251489 /nfs/dbraw/zinc/25/14/89/1177251489.db2.gz OBPUHHXOZCFNFQ-DZUCGIPZSA-N 2 1 330.476 2.345 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001267042183 1178137617 /nfs/dbraw/zinc/13/76/17/1178137617.db2.gz XCSRSCBANMWHRY-ROUUACIJSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374739 1181155084 /nfs/dbraw/zinc/15/50/84/1181155084.db2.gz XRKAIKBPFBJMCV-OALUTQOASA-N 2 1 327.472 2.187 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496152 1181563325 /nfs/dbraw/zinc/56/33/25/1181563325.db2.gz HTNYZFAOWACGEW-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481496152 1181563332 /nfs/dbraw/zinc/56/33/32/1181563332.db2.gz HTNYZFAOWACGEW-IRXDYDNUSA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001481514855 1181619905 /nfs/dbraw/zinc/61/99/05/1181619905.db2.gz RJTNLRJTYBSZBJ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481514855 1181619917 /nfs/dbraw/zinc/61/99/17/1181619917.db2.gz RJTNLRJTYBSZBJ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481514855 1181619925 /nfs/dbraw/zinc/61/99/25/1181619925.db2.gz RJTNLRJTYBSZBJ-LJQANCHMSA-N 2 1 331.504 2.197 10 30 EEEEMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776936 1182674274 /nfs/dbraw/zinc/67/42/74/1182674274.db2.gz CCKRESDZEOSDOP-WOJBJXKFSA-N 2 1 341.499 2.301 10 30 EEEEMP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269615182 1184439324 /nfs/dbraw/zinc/43/93/24/1184439324.db2.gz PFYOHNDZYCAHLD-JXFKEZNVSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001270863680 1185529174 /nfs/dbraw/zinc/52/91/74/1185529174.db2.gz JQMFANHFUKZRKH-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001271856046 1186555309 /nfs/dbraw/zinc/55/53/09/1186555309.db2.gz XSNVFXQBZRIXRK-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001271856046 1186555316 /nfs/dbraw/zinc/55/53/16/1186555316.db2.gz XSNVFXQBZRIXRK-MOPGFXCFSA-N 2 1 333.520 2.395 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001272053549 1187287545 /nfs/dbraw/zinc/28/75/45/1187287545.db2.gz NOYLSOOBCUIZKV-GUDVDZBRSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001272053549 1187287547 /nfs/dbraw/zinc/28/75/47/1187287547.db2.gz NOYLSOOBCUIZKV-GUDVDZBRSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001272053549 1187287551 /nfs/dbraw/zinc/28/75/51/1187287551.db2.gz NOYLSOOBCUIZKV-GUDVDZBRSA-N 2 1 349.519 2.129 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482888316 1187814586 /nfs/dbraw/zinc/81/45/86/1187814586.db2.gz IUDPFUPAGCRGME-GJZGRUSLSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484159301 1191247677 /nfs/dbraw/zinc/24/76/77/1191247677.db2.gz RULJFHYCKJOONA-SJLPKXTDSA-N 2 1 339.911 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484159301 1191247679 /nfs/dbraw/zinc/24/76/79/1191247679.db2.gz RULJFHYCKJOONA-SJLPKXTDSA-N 2 1 339.911 2.299 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)CO2 ZINC001484802111 1191524483 /nfs/dbraw/zinc/52/44/83/1191524483.db2.gz MYMZRGJFVUAACA-SFHVURJKSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001484864677 1191555129 /nfs/dbraw/zinc/55/51/29/1191555129.db2.gz KSPXZCJQRHFMJL-QZTJIDSGSA-N 2 1 349.519 2.225 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081584 1191650304 /nfs/dbraw/zinc/65/03/04/1191650304.db2.gz GBAZPRALBHTHNX-JKSUJKDBSA-N 2 1 327.900 2.251 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001485206442 1191693261 /nfs/dbraw/zinc/69/32/61/1191693261.db2.gz AZJHQBPRZAGAAF-HUUCEWRRSA-N 2 1 327.432 2.330 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185851 1193726910 /nfs/dbraw/zinc/72/69/10/1193726910.db2.gz DQWJSLCDRCJJJO-PKOBYXMFSA-N 2 1 331.504 2.267 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133515 1199867316 /nfs/dbraw/zinc/86/73/16/1199867316.db2.gz DQXLKRPUNUCFMA-XKQJLSEDSA-N 2 1 335.879 2.341 10 30 EEEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001691726950 1204226899 /nfs/dbraw/zinc/22/68/99/1204226899.db2.gz RLXGMQVEIUSBKL-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001691726950 1204226902 /nfs/dbraw/zinc/22/69/02/1204226902.db2.gz RLXGMQVEIUSBKL-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001691726950 1204226903 /nfs/dbraw/zinc/22/69/03/1204226903.db2.gz RLXGMQVEIUSBKL-GOSISDBHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182995 1205276252 /nfs/dbraw/zinc/27/62/52/1205276252.db2.gz AWILKACSMXAXIG-VQTJNVASSA-N 2 1 345.531 2.446 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001276052172 1205752792 /nfs/dbraw/zinc/75/27/92/1205752792.db2.gz HXYAZXMABXYMER-ACBHZAAOSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001276052172 1205752793 /nfs/dbraw/zinc/75/27/93/1205752793.db2.gz HXYAZXMABXYMER-ACBHZAAOSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297236 1258913696 /nfs/dbraw/zinc/91/36/96/1258913696.db2.gz HHWOFTYRKJBOKY-IAGOWNOFSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297236 1258913699 /nfs/dbraw/zinc/91/36/99/1258913699.db2.gz HHWOFTYRKJBOKY-IAGOWNOFSA-N 2 1 330.476 2.247 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244935 1295777372 /nfs/dbraw/zinc/77/73/72/1295777372.db2.gz MZRRQBQYEUCEKO-RBUKOAKNSA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001211244935 1295777385 /nfs/dbraw/zinc/77/73/85/1295777385.db2.gz MZRRQBQYEUCEKO-RBUKOAKNSA-N 2 1 348.535 2.140 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276838828 1299863852 /nfs/dbraw/zinc/86/38/52/1299863852.db2.gz BZSNDQGRBCBORC-FHWLQOOXSA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001276923578 1300284038 /nfs/dbraw/zinc/28/40/38/1300284038.db2.gz KMGKAKQXDMSMQG-OAHLLOKOSA-N 2 1 332.448 2.041 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001276923578 1300284050 /nfs/dbraw/zinc/28/40/50/1300284050.db2.gz KMGKAKQXDMSMQG-OAHLLOKOSA-N 2 1 332.448 2.041 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001277020480 1300902142 /nfs/dbraw/zinc/90/21/42/1300902142.db2.gz UELODCBFYMGNDH-QGZVFWFLSA-N 2 1 345.874 2.024 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277265023 1302076161 /nfs/dbraw/zinc/07/61/61/1302076161.db2.gz WKMQXRVBVJAOMF-KBXCAEBGSA-N 2 1 346.450 2.166 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001278177563 1306184108 /nfs/dbraw/zinc/18/41/08/1306184108.db2.gz TVVYYHRSGJKMAY-WMZOPIPTSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001278520393 1317127993 /nfs/dbraw/zinc/12/79/93/1317127993.db2.gz FTPFAHYXPROXJS-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H]1C ZINC001278520393 1317127996 /nfs/dbraw/zinc/12/79/96/1317127996.db2.gz FTPFAHYXPROXJS-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001278520393 1317128001 /nfs/dbraw/zinc/12/80/01/1317128001.db2.gz FTPFAHYXPROXJS-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001278520393 1317128004 /nfs/dbraw/zinc/12/80/04/1317128004.db2.gz FTPFAHYXPROXJS-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278668287 1317612286 /nfs/dbraw/zinc/61/22/86/1317612286.db2.gz MXNOYZNNLQXJLL-IBGZPJMESA-N 2 1 349.519 2.036 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001278677188 1317684208 /nfs/dbraw/zinc/68/42/08/1317684208.db2.gz FLSVNRRBHFIMHH-NRFANRHFSA-N 2 1 341.499 2.208 10 30 EEEEMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001278964208 1318854120 /nfs/dbraw/zinc/85/41/20/1318854120.db2.gz OWYIRPIJJKKGLN-LJQANCHMSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264091920 1322616675 /nfs/dbraw/zinc/61/66/75/1322616675.db2.gz JKQYTNXCNLRRLC-JQHSSLGASA-N 2 1 330.476 2.327 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264091920 1322616680 /nfs/dbraw/zinc/61/66/80/1322616680.db2.gz JKQYTNXCNLRRLC-JQHSSLGASA-N 2 1 330.476 2.327 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCC=C)CC[C@@H]3C2)CC1 ZINC001264100850 1322620068 /nfs/dbraw/zinc/62/00/68/1322620068.db2.gz JRAAIBTWFSAUDO-UXHICEINSA-N 2 1 343.515 2.078 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308571 1323057554 /nfs/dbraw/zinc/05/75/54/1323057554.db2.gz VKLPIYSIMZGJQN-RDJZCZTQSA-N 2 1 339.443 2.426 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308571 1323057562 /nfs/dbraw/zinc/05/75/62/1323057562.db2.gz VKLPIYSIMZGJQN-RDJZCZTQSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC001280485663 1324250533 /nfs/dbraw/zinc/25/05/33/1324250533.db2.gz RXSVMIVYSNMCNB-IBGZPJMESA-N 2 1 339.483 2.221 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC001280485663 1324250540 /nfs/dbraw/zinc/25/05/40/1324250540.db2.gz RXSVMIVYSNMCNB-IBGZPJMESA-N 2 1 339.483 2.221 10 30 EEEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281088259 1324758773 /nfs/dbraw/zinc/75/87/73/1324758773.db2.gz RIGUXFQKSXJVEQ-WMZOPIPTSA-N 2 1 325.472 2.167 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001282496179 1325733065 /nfs/dbraw/zinc/73/30/65/1325733065.db2.gz XWSQWLMNTVVXHD-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001282496179 1325733067 /nfs/dbraw/zinc/73/30/67/1325733067.db2.gz XWSQWLMNTVVXHD-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC001283922966 1326321277 /nfs/dbraw/zinc/32/12/77/1326321277.db2.gz LVUWTTYDAVAANV-QAPCUYQASA-N 2 1 339.443 2.426 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)C(C)(C)C1 ZINC001284291509 1326490578 /nfs/dbraw/zinc/49/05/78/1326490578.db2.gz GYLUZPPQSZFGHE-KBSZCIAZSA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)C(C)(C)C1 ZINC001284291509 1326490580 /nfs/dbraw/zinc/49/05/80/1326490580.db2.gz GYLUZPPQSZFGHE-KBSZCIAZSA-N 2 1 331.504 2.267 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001284929841 1326781403 /nfs/dbraw/zinc/78/14/03/1326781403.db2.gz NWBNGVIHYZTIIB-QGZVFWFLSA-N 2 1 328.460 2.160 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316718988 1331860272 /nfs/dbraw/zinc/86/02/72/1331860272.db2.gz FWPYGUZBUKQDJT-VAMGGRTRSA-N 2 1 341.499 2.324 10 30 EEEEMP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316844037 1331929395 /nfs/dbraw/zinc/92/93/95/1331929395.db2.gz XNDWEWNPCNCNOE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001316844037 1331929397 /nfs/dbraw/zinc/92/93/97/1331929397.db2.gz XNDWEWNPCNCNOE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C[NH+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001316844037 1331929398 /nfs/dbraw/zinc/92/93/98/1331929398.db2.gz XNDWEWNPCNCNOE-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001317178775 1332116676 /nfs/dbraw/zinc/11/66/76/1332116676.db2.gz NRMSOVGFPWZBEP-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001317178775 1332116678 /nfs/dbraw/zinc/11/66/78/1332116678.db2.gz NRMSOVGFPWZBEP-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001317178775 1332116679 /nfs/dbraw/zinc/11/66/79/1332116679.db2.gz NRMSOVGFPWZBEP-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001317178775 1332116680 /nfs/dbraw/zinc/11/66/80/1332116680.db2.gz NRMSOVGFPWZBEP-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP CC[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317449304 1332247099 /nfs/dbraw/zinc/24/70/99/1332247099.db2.gz MLNXIWQNHBRZMU-QGZVFWFLSA-N 2 1 335.879 2.080 10 30 EEEEMP CC[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317449304 1332247100 /nfs/dbraw/zinc/24/71/00/1332247100.db2.gz MLNXIWQNHBRZMU-QGZVFWFLSA-N 2 1 335.879 2.080 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)Cc1ccccc1 ZINC001317540928 1332289985 /nfs/dbraw/zinc/28/99/85/1332289985.db2.gz ORRKMJHGCSHFCX-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1ccccc1 ZINC001317540928 1332289988 /nfs/dbraw/zinc/28/99/88/1332289988.db2.gz ORRKMJHGCSHFCX-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1ccccc1 ZINC001317540928 1332289991 /nfs/dbraw/zinc/28/99/91/1332289991.db2.gz ORRKMJHGCSHFCX-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1ccccc1 ZINC001317540928 1332289994 /nfs/dbraw/zinc/28/99/94/1332289994.db2.gz ORRKMJHGCSHFCX-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769854 1332402852 /nfs/dbraw/zinc/40/28/52/1332402852.db2.gz LVPDXVNRJKRHCB-IBGZPJMESA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854607 1332432567 /nfs/dbraw/zinc/43/25/67/1332432567.db2.gz QMEDFUSTGBLYGF-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317854607 1332432571 /nfs/dbraw/zinc/43/25/71/1332432571.db2.gz QMEDFUSTGBLYGF-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319470938 1332707295 /nfs/dbraw/zinc/70/72/95/1332707295.db2.gz ACJBRGCROFUGKF-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319470938 1332707299 /nfs/dbraw/zinc/70/72/99/1332707299.db2.gz ACJBRGCROFUGKF-OFCQAKPVSA-N 2 1 339.483 2.234 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001320465573 1332890769 /nfs/dbraw/zinc/89/07/69/1332890769.db2.gz ZFAZAQAIDWFPRE-CZUORRHYSA-N 2 1 334.489 2.088 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321992142 1333191832 /nfs/dbraw/zinc/19/18/32/1333191832.db2.gz VTUDAYFEHGHKTP-HOTGVXAUSA-N 2 1 347.890 2.128 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001325766842 1333956860 /nfs/dbraw/zinc/95/68/60/1333956860.db2.gz RLYHPRDNOULCPQ-YTQUADARSA-N 2 1 333.520 2.463 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001326365122 1334076846 /nfs/dbraw/zinc/07/68/46/1334076846.db2.gz NMIKGNDGZXUWGR-FQEVSTJZSA-N 2 1 341.499 2.012 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765312 1334517217 /nfs/dbraw/zinc/51/72/17/1334517217.db2.gz PPUHOPZODBTWGH-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765312 1334517219 /nfs/dbraw/zinc/51/72/19/1334517219.db2.gz PPUHOPZODBTWGH-DLBZAZTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001330487015 1334856125 /nfs/dbraw/zinc/85/61/25/1334856125.db2.gz UALVNIVCSIRCFW-SFHVURJKSA-N 2 1 331.504 2.219 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001567150716 1342702129 /nfs/dbraw/zinc/70/21/29/1342702129.db2.gz IIJOXDXNBZDCPO-FQEVSTJZSA-N 2 1 341.499 2.208 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC001675964488 1357078431 /nfs/dbraw/zinc/07/84/31/1357078431.db2.gz QBUMPRNEMIFAOU-MSOLQXFVSA-N 2 1 336.524 2.421 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001567611957 1342794222 /nfs/dbraw/zinc/79/42/22/1342794222.db2.gz ZXCZTHJUKRNIQY-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001676838400 1357217774 /nfs/dbraw/zinc/21/77/74/1357217774.db2.gz SWZZESYCAVTZQV-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001677587190 1357363957 /nfs/dbraw/zinc/36/39/57/1357363957.db2.gz YUNLJCXFTBCPHG-UHFFFAOYSA-N 2 1 331.504 2.270 10 30 EEEEMP C#CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001660776454 1354537011 /nfs/dbraw/zinc/53/70/11/1354537011.db2.gz ZIHZFZHKINGCFY-INIZCTEOSA-N 2 1 330.476 2.343 10 30 EEEEMP C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001660776455 1354537095 /nfs/dbraw/zinc/53/70/95/1354537095.db2.gz ZIHZFZHKINGCFY-MRXNPFEDSA-N 2 1 330.476 2.343 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001668092142 1355868146 /nfs/dbraw/zinc/86/81/46/1355868146.db2.gz KASGYBGSXGFOOM-HNNXBMFYSA-N 2 1 328.460 2.027 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001672388787 1356513915 /nfs/dbraw/zinc/51/39/15/1356513915.db2.gz PRIMKYLWXHUDJP-IBGZPJMESA-N 2 1 327.472 2.111 10 30 EEEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268396 1356955370 /nfs/dbraw/zinc/95/53/70/1356955370.db2.gz BKMFQSBFTJVBOP-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001675268396 1356955373 /nfs/dbraw/zinc/95/53/73/1356955373.db2.gz BKMFQSBFTJVBOP-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001675701623 1357040494 /nfs/dbraw/zinc/04/04/94/1357040494.db2.gz HPPIDVQJMJFOMP-GOSISDBHSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001681598366 1358038318 /nfs/dbraw/zinc/03/83/18/1358038318.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 2 1 348.535 2.285 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001681598366 1358038322 /nfs/dbraw/zinc/03/83/22/1358038322.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 2 1 348.535 2.285 10 30 EEEEMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001681598366 1358038327 /nfs/dbraw/zinc/03/83/27/1358038327.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 2 1 348.535 2.285 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001684792691 1358280814 /nfs/dbraw/zinc/28/08/14/1358280814.db2.gz PLRBJIXFHBDUTI-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001684792691 1358280818 /nfs/dbraw/zinc/28/08/18/1358280818.db2.gz PLRBJIXFHBDUTI-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792691 1358280822 /nfs/dbraw/zinc/28/08/22/1358280822.db2.gz PLRBJIXFHBDUTI-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001684792691 1358280829 /nfs/dbraw/zinc/28/08/29/1358280829.db2.gz PLRBJIXFHBDUTI-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001691837596 1404949955 /nfs/dbraw/zinc/94/99/55/1404949955.db2.gz IKADRBRUXQSPRB-KYJSFNMBSA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445629 /nfs/dbraw/zinc/44/56/29/779445629.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445634 /nfs/dbraw/zinc/44/56/34/779445634.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445639 /nfs/dbraw/zinc/44/56/39/779445639.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033094 779746217 /nfs/dbraw/zinc/74/62/17/779746217.db2.gz MDWBEQPVYDPSPP-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033094 779746222 /nfs/dbraw/zinc/74/62/22/779746222.db2.gz MDWBEQPVYDPSPP-RDJZCZTQSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000909203093 786092268 /nfs/dbraw/zinc/09/22/68/786092268.db2.gz CTPDGXKNRCSBKG-QGZVFWFLSA-N 2 1 329.488 2.475 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921959368 798388209 /nfs/dbraw/zinc/38/82/09/798388209.db2.gz WMRSZUFZNWMIBO-LJQANCHMSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001437163546 1089177667 /nfs/dbraw/zinc/17/76/67/1089177667.db2.gz NAXYLGCVDPDIGU-KBPBESRZSA-N 2 1 346.313 2.110 10 30 EEEEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437370070 1089609776 /nfs/dbraw/zinc/60/97/76/1089609776.db2.gz DTNFRUNDGLIHET-JJRVBVJISA-N 2 1 346.450 2.022 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001442261131 1096564784 /nfs/dbraw/zinc/56/47/84/1096564784.db2.gz RSXWQGAHHSHLIS-UHFFFAOYSA-N 2 1 346.450 2.117 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479610211 1098630660 /nfs/dbraw/zinc/63/06/60/1098630660.db2.gz BYIDIZGCSOZBDG-HOJAQTOUSA-N 2 1 345.531 2.491 10 30 EEEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001480333211 1100094672 /nfs/dbraw/zinc/09/46/72/1100094672.db2.gz WVBWSDTUKMOASL-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001480333211 1100094679 /nfs/dbraw/zinc/09/46/79/1100094679.db2.gz WVBWSDTUKMOASL-RBUKOAKNSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001495187789 1100865825 /nfs/dbraw/zinc/86/58/25/1100865825.db2.gz KZVTWIUVXULHNA-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001495470124 1101180579 /nfs/dbraw/zinc/18/05/79/1101180579.db2.gz KLLUZUQUMWWINV-BRWVUGGUSA-N 2 1 330.476 2.347 10 30 EEEEMP CCN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001497417783 1102458900 /nfs/dbraw/zinc/45/89/00/1102458900.db2.gz LPNCJTIPKNCOMC-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)c1ccccc1 ZINC001493895451 1103069399 /nfs/dbraw/zinc/06/93/99/1103069399.db2.gz PHNJNGATVZKONK-MOPGFXCFSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)c1ccccc1 ZINC001493895451 1103069412 /nfs/dbraw/zinc/06/94/12/1103069412.db2.gz PHNJNGATVZKONK-MOPGFXCFSA-N 2 1 325.456 2.107 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001494215126 1103711566 /nfs/dbraw/zinc/71/15/66/1103711566.db2.gz XKGVIMLXWZJENL-LJQANCHMSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480665040 1106845031 /nfs/dbraw/zinc/84/50/31/1106845031.db2.gz HSQDFVVGBWUQJI-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001493372117 1108011663 /nfs/dbraw/zinc/01/16/63/1108011663.db2.gz GTHVOLDMEUNRGN-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001493372117 1108011677 /nfs/dbraw/zinc/01/16/77/1108011677.db2.gz GTHVOLDMEUNRGN-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1CC)C(C)C ZINC001467659895 1110461101 /nfs/dbraw/zinc/46/11/01/1110461101.db2.gz BPGVFWBAXQVRHX-MSOLQXFVSA-N 2 1 336.524 2.421 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001469978514 1110499382 /nfs/dbraw/zinc/49/93/82/1110499382.db2.gz FJCYBORVPGVOPU-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001469978514 1110499383 /nfs/dbraw/zinc/49/93/83/1110499383.db2.gz FJCYBORVPGVOPU-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978514 1110499384 /nfs/dbraw/zinc/49/93/84/1110499384.db2.gz FJCYBORVPGVOPU-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001469978514 1110499385 /nfs/dbraw/zinc/49/93/85/1110499385.db2.gz FJCYBORVPGVOPU-IEBWSBKVSA-N 2 1 346.519 2.180 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507161788 1115141879 /nfs/dbraw/zinc/14/18/79/1115141879.db2.gz MPMAEZRLBXVTIT-KGLIPLIRSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001568061091 1124266725 /nfs/dbraw/zinc/26/67/25/1124266725.db2.gz ZTATVQNHYNEAFH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001568061091 1124266731 /nfs/dbraw/zinc/26/67/31/1124266731.db2.gz ZTATVQNHYNEAFH-MOPGFXCFSA-N 2 1 331.504 2.102 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001568094843 1124299068 /nfs/dbraw/zinc/29/90/68/1124299068.db2.gz QKHHRZOCEJGKKU-RBUKOAKNSA-N 2 1 331.504 2.245 10 30 EEEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001568224671 1124368915 /nfs/dbraw/zinc/36/89/15/1124368915.db2.gz ICKZPMCLPMCPDQ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001568437621 1124505739 /nfs/dbraw/zinc/50/57/39/1124505739.db2.gz BTZANNZUYLRXAE-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568437621 1124505745 /nfs/dbraw/zinc/50/57/45/1124505745.db2.gz BTZANNZUYLRXAE-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568437621 1124505747 /nfs/dbraw/zinc/50/57/47/1124505747.db2.gz BTZANNZUYLRXAE-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001569121801 1125111013 /nfs/dbraw/zinc/11/10/13/1125111013.db2.gz PVKQWCAYPDLNAW-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001569121801 1125111018 /nfs/dbraw/zinc/11/10/18/1125111018.db2.gz PVKQWCAYPDLNAW-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001569121801 1125111022 /nfs/dbraw/zinc/11/10/22/1125111022.db2.gz PVKQWCAYPDLNAW-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001569121801 1125111024 /nfs/dbraw/zinc/11/10/24/1125111024.db2.gz PVKQWCAYPDLNAW-ICSRJNTNSA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2F)CC1 ZINC001569152877 1125131281 /nfs/dbraw/zinc/13/12/81/1125131281.db2.gz KXQVAAFYBFKEBC-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001569152877 1125131282 /nfs/dbraw/zinc/13/12/82/1125131282.db2.gz KXQVAAFYBFKEBC-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001569153871 1125132407 /nfs/dbraw/zinc/13/24/07/1125132407.db2.gz XVEIVDYYFOAJQQ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001569153871 1125132411 /nfs/dbraw/zinc/13/24/11/1125132411.db2.gz XVEIVDYYFOAJQQ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC001569153871 1125132413 /nfs/dbraw/zinc/13/24/13/1125132413.db2.gz XVEIVDYYFOAJQQ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC001569153871 1125132417 /nfs/dbraw/zinc/13/24/17/1125132417.db2.gz XVEIVDYYFOAJQQ-INIZCTEOSA-N 2 1 349.906 2.468 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439153 468587475 /nfs/dbraw/zinc/58/74/75/468587475.db2.gz SUPOOBAHHYEGCI-RBUKOAKNSA-N 2 1 342.487 2.078 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574572 469366452 /nfs/dbraw/zinc/36/64/52/469366452.db2.gz BNTQLUAGQDRSEG-ZWKOTPCHSA-N 2 1 328.460 2.036 10 30 EEEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738687 472228541 /nfs/dbraw/zinc/22/85/41/472228541.db2.gz YPVGALISAWRUDG-QUCCMNQESA-N 2 1 327.472 2.466 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744993 472231784 /nfs/dbraw/zinc/23/17/84/472231784.db2.gz CJECCBZAZSCHTD-QUCCMNQESA-N 2 1 327.472 2.418 10 30 EEEEMP CC[NH+]=C(NCCc1c(C)noc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262825596 688545056 /nfs/dbraw/zinc/54/50/56/688545056.db2.gz YFPGPIFLBIQJJJ-ALOPSCKCSA-N 2 1 347.507 2.404 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC[NH2+]CC)c1ccccc1 ZINC001485778501 1191934904 /nfs/dbraw/zinc/93/49/04/1191934904.db2.gz GZCXDCCNAMECFJ-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC[NH2+]CC)c1ccccc1 ZINC001485778501 1191934906 /nfs/dbraw/zinc/93/49/06/1191934906.db2.gz GZCXDCCNAMECFJ-MOPGFXCFSA-N 2 1 327.472 2.331 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247173 1176018791 /nfs/dbraw/zinc/01/87/91/1176018791.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266247173 1176018801 /nfs/dbraw/zinc/01/88/01/1176018801.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266247173 1176018810 /nfs/dbraw/zinc/01/88/10/1176018810.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247173 1176018820 /nfs/dbraw/zinc/01/88/20/1176018820.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247173 1176018830 /nfs/dbraw/zinc/01/88/30/1176018830.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001772516029 1176530139 /nfs/dbraw/zinc/53/01/39/1176530139.db2.gz CQINPZJWLZMGAF-ZDUSSCGKSA-N 2 1 333.423 2.080 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001772516029 1176530147 /nfs/dbraw/zinc/53/01/47/1176530147.db2.gz CQINPZJWLZMGAF-ZDUSSCGKSA-N 2 1 333.423 2.080 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001772517159 1176585566 /nfs/dbraw/zinc/58/55/66/1176585566.db2.gz HPGOHRCDTUISOT-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001772517159 1176585571 /nfs/dbraw/zinc/58/55/71/1176585571.db2.gz HPGOHRCDTUISOT-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691106033 1177585473 /nfs/dbraw/zinc/58/54/73/1177585473.db2.gz PEGMDEWFEPNPFN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691106033 1177585477 /nfs/dbraw/zinc/58/54/77/1177585477.db2.gz PEGMDEWFEPNPFN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691106033 1177585481 /nfs/dbraw/zinc/58/54/81/1177585481.db2.gz PEGMDEWFEPNPFN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691106033 1177585485 /nfs/dbraw/zinc/58/54/85/1177585485.db2.gz PEGMDEWFEPNPFN-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001267115499 1178277840 /nfs/dbraw/zinc/27/78/40/1178277840.db2.gz VJCHPLCQEILJLD-MPNRVQBSSA-N 2 1 337.895 2.007 10 30 EEEEMP C[NH+](C)CCCCC(=O)NCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001480938477 1178935399 /nfs/dbraw/zinc/93/53/99/1178935399.db2.gz VUINXGMHQXYQBQ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C[NH+](C)CCCCC(=O)NCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001480938477 1178935405 /nfs/dbraw/zinc/93/54/05/1178935405.db2.gz VUINXGMHQXYQBQ-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267519239 1179244833 /nfs/dbraw/zinc/24/48/33/1179244833.db2.gz CKXWICLETFIHOH-GOSISDBHSA-N 2 1 325.456 2.085 10 30 EEEEMP CCC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)CC[NH+](C)C ZINC001481145778 1179914748 /nfs/dbraw/zinc/91/47/48/1179914748.db2.gz OJAGHJDRMGTDFC-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267767328 1180454324 /nfs/dbraw/zinc/45/43/24/1180454324.db2.gz PCJDRXNTZTYKDJ-IBGZPJMESA-N 2 1 339.483 2.055 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024570 1181035267 /nfs/dbraw/zinc/03/52/67/1181035267.db2.gz IQJZIDODPAMTSY-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001481520004 1181631644 /nfs/dbraw/zinc/63/16/44/1181631644.db2.gz YZPQQXYHOFWNHP-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001481520004 1181631648 /nfs/dbraw/zinc/63/16/48/1181631648.db2.gz YZPQQXYHOFWNHP-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001481520004 1181631649 /nfs/dbraw/zinc/63/16/49/1181631649.db2.gz YZPQQXYHOFWNHP-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001481863042 1182820274 /nfs/dbraw/zinc/82/02/74/1182820274.db2.gz ZAKCYHWLYJHVAS-INIZCTEOSA-N 2 1 327.432 2.332 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880827 1182863872 /nfs/dbraw/zinc/86/38/72/1182863872.db2.gz HQYWINGWXMPXBG-PBHICJAKSA-N 2 1 348.516 2.479 10 30 EEEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481941595 1183000778 /nfs/dbraw/zinc/00/07/78/1183000778.db2.gz VBFPICLTNOXGJG-MOPGFXCFSA-N 2 1 337.483 2.097 10 30 EEEEMP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001269593018 1184416778 /nfs/dbraw/zinc/41/67/78/1184416778.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001269593018 1184416781 /nfs/dbraw/zinc/41/67/81/1184416781.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001269593018 1184416787 /nfs/dbraw/zinc/41/67/87/1184416787.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 2 1 349.519 2.129 10 30 EEEEMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001270082355 1184834649 /nfs/dbraw/zinc/83/46/49/1184834649.db2.gz UTQYOKBXXLLQIG-FQEVSTJZSA-N 2 1 327.472 2.454 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001271346598 1186152173 /nfs/dbraw/zinc/15/21/73/1186152173.db2.gz FFDJGQXAFDRICR-WDSOQIARSA-N 2 1 333.520 2.395 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272773076 1193491126 /nfs/dbraw/zinc/49/11/26/1193491126.db2.gz JDSXZFMVANDVNC-KBPBESRZSA-N 2 1 346.313 2.252 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482866827 1187786696 /nfs/dbraw/zinc/78/66/96/1187786696.db2.gz ZGYPLZWXOFEWCB-GJYPPUQNSA-N 2 1 342.487 2.273 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482929831 1187850627 /nfs/dbraw/zinc/85/06/27/1187850627.db2.gz LOPPBOMSKKADMX-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCCC1 ZINC001483471537 1190493637 /nfs/dbraw/zinc/49/36/37/1190493637.db2.gz JWXATTQNKVTYBB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCCC1 ZINC001483471537 1190493638 /nfs/dbraw/zinc/49/36/38/1190493638.db2.gz JWXATTQNKVTYBB-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001483986923 1191143143 /nfs/dbraw/zinc/14/31/43/1191143143.db2.gz XTAVFWIGCODHJC-IBGZPJMESA-N 2 1 331.504 2.363 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185846 1193726978 /nfs/dbraw/zinc/72/69/78/1193726978.db2.gz DQWJSLCDRCJJJO-IEBWSBKVSA-N 2 1 331.504 2.267 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001275108894 1205259060 /nfs/dbraw/zinc/25/90/60/1205259060.db2.gz QIOKWYSVRKGPIE-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001275108894 1205259062 /nfs/dbraw/zinc/25/90/62/1205259062.db2.gz QIOKWYSVRKGPIE-SJORKVTESA-N 2 1 330.476 2.343 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720763 1205498689 /nfs/dbraw/zinc/49/86/89/1205498689.db2.gz MOCAAUNBIWPCAR-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720763 1205498690 /nfs/dbraw/zinc/49/86/90/1205498690.db2.gz MOCAAUNBIWPCAR-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720763 1205498691 /nfs/dbraw/zinc/49/86/91/1205498691.db2.gz MOCAAUNBIWPCAR-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275720763 1205498692 /nfs/dbraw/zinc/49/86/92/1205498692.db2.gz MOCAAUNBIWPCAR-DOTOQJQBSA-N 2 1 347.890 2.080 10 30 EEEEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048502 1239616556 /nfs/dbraw/zinc/61/65/56/1239616556.db2.gz NSXOVUNCIGOZAK-BEFAXECRSA-N 2 1 336.439 2.371 10 30 EEEEMP C=CCc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1O ZINC000903955317 1242700799 /nfs/dbraw/zinc/70/07/99/1242700799.db2.gz OZOCKQLDVRRFRF-CQSZACIVSA-N 2 1 326.387 2.464 10 30 EEEEMP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)CC[N@@H+](C)CC ZINC001273693897 1283486852 /nfs/dbraw/zinc/48/68/52/1283486852.db2.gz ANZFNWNAVKAMDB-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001273823964 1286464901 /nfs/dbraw/zinc/46/49/01/1286464901.db2.gz FZNZCZALHLAPHW-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001273823964 1286464902 /nfs/dbraw/zinc/46/49/02/1286464902.db2.gz FZNZCZALHLAPHW-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001273823964 1286464903 /nfs/dbraw/zinc/46/49/03/1286464903.db2.gz FZNZCZALHLAPHW-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001273823964 1286464905 /nfs/dbraw/zinc/46/49/05/1286464905.db2.gz FZNZCZALHLAPHW-FQEVSTJZSA-N 2 1 341.499 2.285 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489339700 1290524640 /nfs/dbraw/zinc/52/46/40/1290524640.db2.gz URQSYGJMLCXNPR-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001489339700 1290524645 /nfs/dbraw/zinc/52/46/45/1290524645.db2.gz URQSYGJMLCXNPR-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001489339700 1290524652 /nfs/dbraw/zinc/52/46/52/1290524652.db2.gz URQSYGJMLCXNPR-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C1CC1 ZINC001490673343 1291556282 /nfs/dbraw/zinc/55/62/82/1291556282.db2.gz AJKKPLSJYJOTFH-PMACEKPBSA-N 2 1 339.483 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C1CC1 ZINC001490673343 1291556290 /nfs/dbraw/zinc/55/62/90/1291556290.db2.gz AJKKPLSJYJOTFH-PMACEKPBSA-N 2 1 339.483 2.077 10 30 EEEEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679938 1291561685 /nfs/dbraw/zinc/56/16/85/1291561685.db2.gz QCCIIHNRLFHGLN-DLBZAZTESA-N 2 1 346.500 2.088 10 30 EEEEMP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001276799114 1297874278 /nfs/dbraw/zinc/87/42/78/1297874278.db2.gz HMWJDZGVWOFOHK-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001276400412 1314750339 /nfs/dbraw/zinc/75/03/39/1314750339.db2.gz YUMWLZOMKWNWAD-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001264586117 1322740610 /nfs/dbraw/zinc/74/06/10/1322740610.db2.gz LLGLLECBTQUGKY-BPQIPLTHSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001264586117 1322740616 /nfs/dbraw/zinc/74/06/16/1322740616.db2.gz LLGLLECBTQUGKY-BPQIPLTHSA-N 2 1 333.520 2.203 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001264586117 1322740618 /nfs/dbraw/zinc/74/06/18/1322740618.db2.gz LLGLLECBTQUGKY-BPQIPLTHSA-N 2 1 333.520 2.203 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001265027383 1322870663 /nfs/dbraw/zinc/87/06/63/1322870663.db2.gz NWFJHSBKPBSZRL-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001265027383 1322870667 /nfs/dbraw/zinc/87/06/67/1322870667.db2.gz NWFJHSBKPBSZRL-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001265027383 1322870674 /nfs/dbraw/zinc/87/06/74/1322870674.db2.gz NWFJHSBKPBSZRL-LPHOPBHVSA-N 2 1 342.487 2.227 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001265979731 1323540062 /nfs/dbraw/zinc/54/00/62/1323540062.db2.gz RYDGSIIGEGGXET-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001265979731 1323540067 /nfs/dbraw/zinc/54/00/67/1323540067.db2.gz RYDGSIIGEGGXET-CRAIPNDOSA-N 2 1 345.491 2.194 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280252451 1324130285 /nfs/dbraw/zinc/13/02/85/1324130285.db2.gz SQEPVOHRVANCTH-CQSZACIVSA-N 2 1 346.313 2.065 10 30 EEEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001281508597 1325191935 /nfs/dbraw/zinc/19/19/35/1325191935.db2.gz JAIPKRWPYHRQMO-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCC[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001284812907 1326726074 /nfs/dbraw/zinc/72/60/74/1326726074.db2.gz JYGBFKIFZOKKDZ-UHFFFAOYSA-N 2 1 325.416 2.036 10 30 EEEEMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001284814778 1326726801 /nfs/dbraw/zinc/72/68/01/1326726801.db2.gz CCLFMAFXXSJIDW-CTWPCTMYSA-N 2 1 327.472 2.282 10 30 EEEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966018 1330361270 /nfs/dbraw/zinc/36/12/70/1330361270.db2.gz WZZJEMWBUCWOOI-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128833 1330982069 /nfs/dbraw/zinc/98/20/69/1330982069.db2.gz GNDFGXZPIDWYAX-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP CCC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C[NH+](C)C(C)C ZINC001317546598 1332291822 /nfs/dbraw/zinc/29/18/22/1332291822.db2.gz RAKHCQRNBUEUJZ-UHFFFAOYSA-N 2 1 347.478 2.346 10 30 EEEEMP CCC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@H+](C)C(C)C ZINC001317546598 1332291825 /nfs/dbraw/zinc/29/18/25/1332291825.db2.gz RAKHCQRNBUEUJZ-UHFFFAOYSA-N 2 1 347.478 2.346 10 30 EEEEMP CCC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)C[N@@H+](C)C(C)C ZINC001317546598 1332291826 /nfs/dbraw/zinc/29/18/26/1332291826.db2.gz RAKHCQRNBUEUJZ-UHFFFAOYSA-N 2 1 347.478 2.346 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001318999907 1332635336 /nfs/dbraw/zinc/63/53/36/1332635336.db2.gz GMVOJYOFDKXCFU-VQTJNVASSA-N 2 1 339.483 2.433 10 30 EEEEMP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001320049755 1332815922 /nfs/dbraw/zinc/81/59/22/1332815922.db2.gz QLHNYRHQGORWEY-SFHVURJKSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001320049755 1332815925 /nfs/dbraw/zinc/81/59/25/1332815925.db2.gz QLHNYRHQGORWEY-SFHVURJKSA-N 2 1 349.906 2.422 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324432544 1333682119 /nfs/dbraw/zinc/68/21/19/1333682119.db2.gz XZKMRQLDPLUWHY-FAOGRTBUSA-N 2 1 337.895 2.007 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001326458463 1334098127 /nfs/dbraw/zinc/09/81/27/1334098127.db2.gz NCQOUYRVOWDXDH-ROUUACIJSA-N 2 1 341.499 2.488 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001326458463 1334098129 /nfs/dbraw/zinc/09/81/29/1334098129.db2.gz NCQOUYRVOWDXDH-ROUUACIJSA-N 2 1 341.499 2.488 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001327035046 1334208096 /nfs/dbraw/zinc/20/80/96/1334208096.db2.gz NBYJCJQQHBMSNJ-ZWKOTPCHSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001327473694 1334298599 /nfs/dbraw/zinc/29/85/99/1334298599.db2.gz AIBISOLFJHVBGS-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467317 1334463192 /nfs/dbraw/zinc/46/31/92/1334463192.db2.gz CQBROJIAIUUBSE-MOPGFXCFSA-N 2 1 329.488 2.474 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467317 1334463193 /nfs/dbraw/zinc/46/31/93/1334463193.db2.gz CQBROJIAIUUBSE-MOPGFXCFSA-N 2 1 329.488 2.474 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001328468285 1334463221 /nfs/dbraw/zinc/46/32/21/1334463221.db2.gz KNRQVXGUIJSUMT-UYAOXDASSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001328468285 1334463224 /nfs/dbraw/zinc/46/32/24/1334463224.db2.gz KNRQVXGUIJSUMT-UYAOXDASSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001328468285 1334463225 /nfs/dbraw/zinc/46/32/25/1334463225.db2.gz KNRQVXGUIJSUMT-UYAOXDASSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001328468285 1334463226 /nfs/dbraw/zinc/46/32/26/1334463226.db2.gz KNRQVXGUIJSUMT-UYAOXDASSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CCc2ccccc2)CCCCC1 ZINC001329845187 1334725527 /nfs/dbraw/zinc/72/55/27/1334725527.db2.gz BYSYQCVCIOJGST-UHFFFAOYSA-N 2 1 341.499 2.203 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332325598 1335802718 /nfs/dbraw/zinc/80/27/18/1335802718.db2.gz XZNMNRSVCRRSSR-RDJZCZTQSA-N 2 1 339.443 2.332 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001566900733 1342648662 /nfs/dbraw/zinc/64/86/62/1342648662.db2.gz ZJEVIXWHWFRKBC-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021580 1342681139 /nfs/dbraw/zinc/68/11/39/1342681139.db2.gz MDDYUZSDKHWIOX-IEBWSBKVSA-N 2 1 327.472 2.007 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001569841020 1342955974 /nfs/dbraw/zinc/95/59/74/1342955974.db2.gz LBFAIORKDOLWCY-GJZGRUSLSA-N 2 1 334.464 2.000 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001656232039 1354217360 /nfs/dbraw/zinc/21/73/60/1354217360.db2.gz SHIRODAAYAXVCK-JCNLHEQBSA-N 2 1 339.443 2.332 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001656696860 1354265744 /nfs/dbraw/zinc/26/57/44/1354265744.db2.gz MZKUTZPUACJAFK-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001656696860 1354265750 /nfs/dbraw/zinc/26/57/50/1354265750.db2.gz MZKUTZPUACJAFK-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001656696860 1354265751 /nfs/dbraw/zinc/26/57/51/1354265751.db2.gz MZKUTZPUACJAFK-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001656696860 1354265756 /nfs/dbraw/zinc/26/57/56/1354265756.db2.gz MZKUTZPUACJAFK-RCCFBDPRSA-N 2 1 337.508 2.033 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001657101806 1354325986 /nfs/dbraw/zinc/32/59/86/1354325986.db2.gz HVFZKJXNWWWHBU-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101806 1354325991 /nfs/dbraw/zinc/32/59/91/1354325991.db2.gz HVFZKJXNWWWHBU-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101806 1354325995 /nfs/dbraw/zinc/32/59/95/1354325995.db2.gz HVFZKJXNWWWHBU-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001660150351 1354404936 /nfs/dbraw/zinc/40/49/36/1354404936.db2.gz QEBMFDZFEWQPBY-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001660150351 1354404939 /nfs/dbraw/zinc/40/49/39/1354404939.db2.gz QEBMFDZFEWQPBY-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001660150351 1354404944 /nfs/dbraw/zinc/40/49/44/1354404944.db2.gz QEBMFDZFEWQPBY-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC1CCCC1)C(C)C ZINC001664514134 1355183867 /nfs/dbraw/zinc/18/38/67/1355183867.db2.gz ZUQACPAPGVJFEM-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC1CCCC1)C(C)C ZINC001664514134 1355183873 /nfs/dbraw/zinc/18/38/73/1355183873.db2.gz ZUQACPAPGVJFEM-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCC1)C(C)C ZINC001664514134 1355183877 /nfs/dbraw/zinc/18/38/77/1355183877.db2.gz ZUQACPAPGVJFEM-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCC1)C(C)C ZINC001664514134 1355183881 /nfs/dbraw/zinc/18/38/81/1355183881.db2.gz ZUQACPAPGVJFEM-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001666111352 1355454675 /nfs/dbraw/zinc/45/46/75/1355454675.db2.gz RMEHRBNGRDQIGY-OWCLPIDISA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001666347770 1355515497 /nfs/dbraw/zinc/51/54/97/1355515497.db2.gz RGIKCTHIRVAMKF-LJQANCHMSA-N 2 1 345.487 2.079 10 30 EEEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001666347770 1355515502 /nfs/dbraw/zinc/51/55/02/1355515502.db2.gz RGIKCTHIRVAMKF-LJQANCHMSA-N 2 1 345.487 2.079 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897611 1355611258 /nfs/dbraw/zinc/61/12/58/1355611258.db2.gz HBUHPIYIRYIPQO-ICSRJNTNSA-N 2 1 341.499 2.347 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001668092152 1355868054 /nfs/dbraw/zinc/86/80/54/1355868054.db2.gz KGKUWDZKKYRDIU-AWEZNQCLSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001672339171 1356504697 /nfs/dbraw/zinc/50/46/97/1356504697.db2.gz ULIWFKISZDTDIZ-PKOBYXMFSA-N 2 1 329.488 2.379 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001672339171 1356504700 /nfs/dbraw/zinc/50/47/00/1356504700.db2.gz ULIWFKISZDTDIZ-PKOBYXMFSA-N 2 1 329.488 2.379 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939431 1356914117 /nfs/dbraw/zinc/91/41/17/1356914117.db2.gz VFORIVMTEKIYDY-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939431 1356914119 /nfs/dbraw/zinc/91/41/19/1356914119.db2.gz VFORIVMTEKIYDY-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001674939431 1356914121 /nfs/dbraw/zinc/91/41/21/1356914121.db2.gz VFORIVMTEKIYDY-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674939431 1356914125 /nfs/dbraw/zinc/91/41/25/1356914125.db2.gz VFORIVMTEKIYDY-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001699884036 1405550297 /nfs/dbraw/zinc/55/02/97/1405550297.db2.gz AJIMGILZPDDYNT-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076616 779797616 /nfs/dbraw/zinc/79/76/16/779797616.db2.gz YRQRXWXGQPLVLI-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000907739345 784818580 /nfs/dbraw/zinc/81/85/80/784818580.db2.gz SOBVIWHZVRQQRP-SFHVURJKSA-N 2 1 347.528 2.228 10 30 EEEEMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389474 789485254 /nfs/dbraw/zinc/48/52/54/789485254.db2.gz REKXMEUZYIBLFH-RTBURBONSA-N 2 1 343.471 2.010 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283181 1091941097 /nfs/dbraw/zinc/94/10/97/1091941097.db2.gz CLDFUSHNPHBOHX-XJKSGUPXSA-N 2 1 334.489 2.088 10 30 EEEEMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)CCC[NH+](C)C ZINC001449035021 1094048717 /nfs/dbraw/zinc/04/87/17/1094048717.db2.gz USDLMXPGWQMJIP-KSSFIOAISA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249572 1096551944 /nfs/dbraw/zinc/55/19/44/1096551944.db2.gz FMURNGABKLBDEI-VQIMIIECSA-N 2 1 342.487 2.415 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001480112090 1099678310 /nfs/dbraw/zinc/67/83/10/1099678310.db2.gz ZJZZCWYYEXMYEP-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001480112090 1099678313 /nfs/dbraw/zinc/67/83/13/1099678313.db2.gz ZJZZCWYYEXMYEP-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001495509417 1101222173 /nfs/dbraw/zinc/22/21/73/1101222173.db2.gz PLXXMBSIZFWYKS-LJQANCHMSA-N 2 1 327.472 2.290 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684892 1101435269 /nfs/dbraw/zinc/43/52/69/1101435269.db2.gz YCELZKPKLBDVQE-VQIMIIECSA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(Br)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494179625 1103654402 /nfs/dbraw/zinc/65/44/02/1103654402.db2.gz SKXZPTNYZWIMIL-AWEZNQCLSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001494179625 1103654405 /nfs/dbraw/zinc/65/44/05/1103654405.db2.gz SKXZPTNYZWIMIL-AWEZNQCLSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179625 1103654408 /nfs/dbraw/zinc/65/44/08/1103654408.db2.gz SKXZPTNYZWIMIL-AWEZNQCLSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(Br)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179625 1103654412 /nfs/dbraw/zinc/65/44/12/1103654412.db2.gz SKXZPTNYZWIMIL-AWEZNQCLSA-N 2 1 346.313 2.016 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001494290348 1103828947 /nfs/dbraw/zinc/82/89/47/1103828947.db2.gz GODNESIHWJQAFJ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001494290348 1103828960 /nfs/dbraw/zinc/82/89/60/1103828960.db2.gz GODNESIHWJQAFJ-GOSISDBHSA-N 2 1 337.508 2.036 10 30 EEEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1CC)C(C)C ZINC001467659896 1110461146 /nfs/dbraw/zinc/46/11/46/1110461146.db2.gz BPGVFWBAXQVRHX-QZTJIDSGSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477978 1112308445 /nfs/dbraw/zinc/30/84/45/1112308445.db2.gz KXVZQDBYIIHIRA-ZWKOTPCHSA-N 2 1 339.499 2.413 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001501053477 1113182406 /nfs/dbraw/zinc/18/24/06/1113182406.db2.gz IQSAWQDTNXUKMF-IRXDYDNUSA-N 2 1 333.520 2.489 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001501400198 1113344258 /nfs/dbraw/zinc/34/42/58/1113344258.db2.gz QOTRVSCTTFKGBE-IRXDYDNUSA-N 2 1 346.500 2.137 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001506854193 1114917719 /nfs/dbraw/zinc/91/77/19/1114917719.db2.gz LIFDMYLXVNJBKY-FHWLQOOXSA-N 2 1 342.487 2.212 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001506854193 1114917722 /nfs/dbraw/zinc/91/77/22/1114917722.db2.gz LIFDMYLXVNJBKY-FHWLQOOXSA-N 2 1 342.487 2.212 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001508229454 1115454525 /nfs/dbraw/zinc/45/45/25/1115454525.db2.gz KZRDHCCGADKBMA-GOSISDBHSA-N 2 1 343.515 2.435 10 30 EEEEMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001568441396 1124511152 /nfs/dbraw/zinc/51/11/52/1124511152.db2.gz YWWUOTRRAJYPHC-ROUUACIJSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001568452808 1124518308 /nfs/dbraw/zinc/51/83/08/1124518308.db2.gz KANAHINVWRETQT-OALUTQOASA-N 2 1 331.504 2.315 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001568452808 1124518316 /nfs/dbraw/zinc/51/83/16/1124518316.db2.gz KANAHINVWRETQT-OALUTQOASA-N 2 1 331.504 2.315 10 30 EEEEMP C[N@@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329303531 465293343 /nfs/dbraw/zinc/29/33/43/465293343.db2.gz WXINSCGQERHJCJ-AWEZNQCLSA-N 2 1 333.480 2.047 10 30 EEEEMP C[N@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329303531 465293349 /nfs/dbraw/zinc/29/33/49/465293349.db2.gz WXINSCGQERHJCJ-AWEZNQCLSA-N 2 1 333.480 2.047 10 30 EEEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249853944 464920676 /nfs/dbraw/zinc/92/06/76/464920676.db2.gz CRUNDBZGZJNNSF-RDJZCZTQSA-N 2 1 343.475 2.132 10 30 EEEEMP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000361529958 466079334 /nfs/dbraw/zinc/07/93/34/466079334.db2.gz HHKNNLJLGOZWAW-UHFFFAOYSA-N 2 1 338.411 2.163 10 30 EEEEMP Cc1cc(C#N)cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000367331677 466270811 /nfs/dbraw/zinc/27/08/11/466270811.db2.gz GTDQZNFDOFUTML-JWTNVVGKSA-N 2 1 325.460 2.009 10 30 EEEEMP C[C@@H](CC#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000597358755 468530628 /nfs/dbraw/zinc/53/06/28/468530628.db2.gz TZSANNXZFWCYON-INIZCTEOSA-N 2 1 334.508 2.191 10 30 EEEEMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527096 527742082 /nfs/dbraw/zinc/74/20/82/527742082.db2.gz GDIUJYMXQXAVSA-IBGZPJMESA-N 2 1 326.488 2.454 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054567 577675077 /nfs/dbraw/zinc/67/50/77/577675077.db2.gz HFWUWLCXUYGXJV-OKZBNKHCSA-N 2 1 345.874 2.299 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748162 1191930431 /nfs/dbraw/zinc/93/04/31/1191930431.db2.gz KVXYWXDMSCCSGC-ZBFHGGJFSA-N 2 1 346.450 2.024 10 30 EEEEMP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](C)CC#Cc2ccccc2)c1 ZINC001691000656 1176473708 /nfs/dbraw/zinc/47/37/08/1176473708.db2.gz NLZHMXGORXOWCA-UHFFFAOYSA-N 2 1 349.478 2.462 10 30 EEEEMP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)c1 ZINC001691000656 1176473709 /nfs/dbraw/zinc/47/37/09/1176473709.db2.gz NLZHMXGORXOWCA-UHFFFAOYSA-N 2 1 349.478 2.462 10 30 EEEEMP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266837429 1177515027 /nfs/dbraw/zinc/51/50/27/1177515027.db2.gz OTLXDUMWZFYOJI-ROUUACIJSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266837429 1177515030 /nfs/dbraw/zinc/51/50/30/1177515030.db2.gz OTLXDUMWZFYOJI-ROUUACIJSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266837429 1177515033 /nfs/dbraw/zinc/51/50/33/1177515033.db2.gz OTLXDUMWZFYOJI-ROUUACIJSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266837429 1177515036 /nfs/dbraw/zinc/51/50/36/1177515036.db2.gz OTLXDUMWZFYOJI-ROUUACIJSA-N 2 1 339.524 2.258 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266985033 1178039465 /nfs/dbraw/zinc/03/94/65/1178039465.db2.gz ZWZXFCWQSOCVIV-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266987450 1178043814 /nfs/dbraw/zinc/04/38/14/1178043814.db2.gz QBMQWMSRDFNORU-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001691427883 1178316039 /nfs/dbraw/zinc/31/60/39/1178316039.db2.gz GLXFZYXQGNMJPC-NZSAHSFTSA-N 2 1 331.504 2.101 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001267386308 1178946627 /nfs/dbraw/zinc/94/66/27/1178946627.db2.gz CFQXTZZRDNAYBK-QGZVFWFLSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267492832 1179168703 /nfs/dbraw/zinc/16/87/03/1179168703.db2.gz YFBWNXPUICBNDD-HKUYNNGSSA-N 2 1 333.520 2.489 10 30 EEEEMP C=CCC[N@@H+](C)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001267601740 1179652690 /nfs/dbraw/zinc/65/26/90/1179652690.db2.gz SERXPIBLCFZNSW-UHFFFAOYSA-N 2 1 334.464 2.096 10 30 EEEEMP C=CCC[N@H+](C)CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001267601740 1179652695 /nfs/dbraw/zinc/65/26/95/1179652695.db2.gz SERXPIBLCFZNSW-UHFFFAOYSA-N 2 1 334.464 2.096 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481490800 1181551880 /nfs/dbraw/zinc/55/18/80/1181551880.db2.gz JQFAGKHSOMQACM-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481490800 1181551883 /nfs/dbraw/zinc/55/18/83/1181551883.db2.gz JQFAGKHSOMQACM-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481490800 1181551888 /nfs/dbraw/zinc/55/18/88/1181551888.db2.gz JQFAGKHSOMQACM-KRWDZBQOSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001268734014 1183652669 /nfs/dbraw/zinc/65/26/69/1183652669.db2.gz QDZDGDBPUIPHIJ-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001268734014 1183652671 /nfs/dbraw/zinc/65/26/71/1183652671.db2.gz QDZDGDBPUIPHIJ-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001268734014 1183652674 /nfs/dbraw/zinc/65/26/74/1183652674.db2.gz QDZDGDBPUIPHIJ-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001268734014 1183652678 /nfs/dbraw/zinc/65/26/78/1183652678.db2.gz QDZDGDBPUIPHIJ-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001268734014 1183652680 /nfs/dbraw/zinc/65/26/80/1183652680.db2.gz QDZDGDBPUIPHIJ-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001270851371 1185463166 /nfs/dbraw/zinc/46/31/66/1185463166.db2.gz LOLDRYGHWJRUOH-MRXNPFEDSA-N 2 1 330.476 2.471 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001482504215 1186413397 /nfs/dbraw/zinc/41/33/97/1186413397.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 1 328.460 2.097 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001482504215 1186413399 /nfs/dbraw/zinc/41/33/99/1186413399.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 1 328.460 2.097 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001482504215 1186413401 /nfs/dbraw/zinc/41/34/01/1186413401.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 1 328.460 2.097 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272320519 1190759913 /nfs/dbraw/zinc/75/99/13/1190759913.db2.gz BALCYWBEUFMRIT-CRAIPNDOSA-N 2 1 339.443 2.332 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001483817085 1191045502 /nfs/dbraw/zinc/04/55/02/1191045502.db2.gz WXQXMKRAXLHDDM-UHFFFAOYSA-N 2 1 331.504 2.197 10 30 EEEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483950202 1191129105 /nfs/dbraw/zinc/12/91/05/1191129105.db2.gz OCRLOXLCUSNVQJ-KRWDZBQOSA-N 2 1 325.416 2.038 10 30 EEEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484110561 1191216910 /nfs/dbraw/zinc/21/69/10/1191216910.db2.gz KRUFFWJPROVSEV-APWZRJJASA-N 2 1 330.476 2.158 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385413 1191325923 /nfs/dbraw/zinc/32/59/23/1191325923.db2.gz ZGIJWKZNZZNNIN-LPHOPBHVSA-N 2 1 342.487 2.083 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001484772535 1191514846 /nfs/dbraw/zinc/51/48/46/1191514846.db2.gz WFJISBPPDBJTJW-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772535 1191514847 /nfs/dbraw/zinc/51/48/47/1191514847.db2.gz WFJISBPPDBJTJW-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001484772535 1191514849 /nfs/dbraw/zinc/51/48/49/1191514849.db2.gz WFJISBPPDBJTJW-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471452 1191801302 /nfs/dbraw/zinc/80/13/02/1191801302.db2.gz HDAVEEVCUDWKFI-RTBURBONSA-N 2 1 342.487 2.275 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486185995 1193726130 /nfs/dbraw/zinc/72/61/30/1193726130.db2.gz FUKSREMYAIWBSE-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486185995 1193726135 /nfs/dbraw/zinc/72/61/35/1193726135.db2.gz FUKSREMYAIWBSE-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486185995 1193726140 /nfs/dbraw/zinc/72/61/40/1193726140.db2.gz FUKSREMYAIWBSE-APWZRJJASA-N 2 1 342.487 2.368 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001274375269 1205013381 /nfs/dbraw/zinc/01/33/81/1205013381.db2.gz MZZIZLLAHQNJFA-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(C#N)ccn1 ZINC000902889054 1238901940 /nfs/dbraw/zinc/90/19/40/1238901940.db2.gz ADSJGYRSTWDZDR-AWEZNQCLSA-N 2 1 325.416 2.139 10 30 EEEEMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604059 1293580279 /nfs/dbraw/zinc/58/02/79/1293580279.db2.gz SIULHSHUWAFFOU-RBUKOAKNSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604059 1293580288 /nfs/dbraw/zinc/58/02/88/1293580288.db2.gz SIULHSHUWAFFOU-RBUKOAKNSA-N 2 1 333.476 2.312 10 30 EEEEMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604059 1293580295 /nfs/dbraw/zinc/58/02/95/1293580295.db2.gz SIULHSHUWAFFOU-RBUKOAKNSA-N 2 1 333.476 2.312 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277149127 1301517650 /nfs/dbraw/zinc/51/76/50/1301517650.db2.gz ZMUUDSKLWMJOBL-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001264186317 1322653954 /nfs/dbraw/zinc/65/39/54/1322653954.db2.gz XKFDEIZCFFSAJQ-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001264186317 1322653962 /nfs/dbraw/zinc/65/39/62/1322653962.db2.gz XKFDEIZCFFSAJQ-ROUUACIJSA-N 2 1 342.487 2.090 10 30 EEEEMP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264448218 1322703693 /nfs/dbraw/zinc/70/36/93/1322703693.db2.gz VIVPIXGJRKNMQL-SLFFLAALSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001264448218 1322703696 /nfs/dbraw/zinc/70/36/96/1322703696.db2.gz VIVPIXGJRKNMQL-SLFFLAALSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001264448218 1322703700 /nfs/dbraw/zinc/70/37/00/1322703700.db2.gz VIVPIXGJRKNMQL-SLFFLAALSA-N 2 1 341.499 2.489 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407137 1323135743 /nfs/dbraw/zinc/13/57/43/1323135743.db2.gz RDEIBAFQOZYJRT-YSHGAJCASA-N 2 1 331.504 2.358 10 30 EEEEMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001266081661 1323639104 /nfs/dbraw/zinc/63/91/04/1323639104.db2.gz PUWXMLMQRMBGJC-QGZVFWFLSA-N 2 1 335.879 2.282 10 30 EEEEMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281721772 1325412676 /nfs/dbraw/zinc/41/26/76/1325412676.db2.gz FPUQCBMGFBMIOT-INIZCTEOSA-N 2 1 345.462 2.146 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494896 1325732406 /nfs/dbraw/zinc/73/24/06/1325732406.db2.gz COBFQAZGVBJJOM-MRXNPFEDSA-N 2 1 333.520 2.204 10 30 EEEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820759 /nfs/dbraw/zinc/82/07/59/1325820759.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820762 /nfs/dbraw/zinc/82/07/62/1325820762.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820765 /nfs/dbraw/zinc/82/07/65/1325820765.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001283706135 1326210949 /nfs/dbraw/zinc/21/09/49/1326210949.db2.gz ZXWNFYYVKGIVPQ-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229375 1326467396 /nfs/dbraw/zinc/46/73/96/1326467396.db2.gz YIXADKHJWUCNNK-VQTJNVASSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810963 1331907086 /nfs/dbraw/zinc/90/70/86/1331907086.db2.gz MNWLHEKVTNNHQN-DLBZAZTESA-N 2 1 339.499 2.296 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001317192574 1332123966 /nfs/dbraw/zinc/12/39/66/1332123966.db2.gz OSJDGJPNRZOKKF-HNNXBMFYSA-N 2 1 332.448 2.041 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317943840 1332448277 /nfs/dbraw/zinc/44/82/77/1332448277.db2.gz XVBZUIBWVOMKRQ-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317943840 1332448280 /nfs/dbraw/zinc/44/82/80/1332448280.db2.gz XVBZUIBWVOMKRQ-DLBZAZTESA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCCCC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001319307513 1332679429 /nfs/dbraw/zinc/67/94/29/1332679429.db2.gz HTIWPESELAPBHU-GOSISDBHSA-N 2 1 349.519 2.178 10 30 EEEEMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001323733389 1333526488 /nfs/dbraw/zinc/52/64/88/1333526488.db2.gz HSVMIDHJNYFDJV-HXUWFJFHSA-N 2 1 343.515 2.055 10 30 EEEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765315 1334517144 /nfs/dbraw/zinc/51/71/44/1334517144.db2.gz PPUHOPZODBTWGH-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328765315 1334517146 /nfs/dbraw/zinc/51/71/46/1334517146.db2.gz PPUHOPZODBTWGH-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCc2cccs2)CC1 ZINC001329625863 1334686831 /nfs/dbraw/zinc/68/68/31/1334686831.db2.gz YDHUGOMGDAQCDA-MRXNPFEDSA-N 2 1 347.528 2.072 10 30 EEEEMP C#CCC[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221896 1335773480 /nfs/dbraw/zinc/77/34/80/1335773480.db2.gz PKTXNFYVVQOLFS-PMACEKPBSA-N 2 1 341.499 2.201 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668214022 1355900786 /nfs/dbraw/zinc/90/07/86/1355900786.db2.gz HMHXOLVVWGKALA-CZUORRHYSA-N 2 1 333.879 2.436 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCCCC)C2)CC1 ZINC001567202248 1342711597 /nfs/dbraw/zinc/71/15/97/1342711597.db2.gz FDCOYROUKUWQTP-LJQANCHMSA-N 2 1 333.520 2.445 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)CN(C(=O)CCCC[NH+]1CCCC1)CCO2 ZINC001570228551 1343037772 /nfs/dbraw/zinc/03/77/72/1343037772.db2.gz RJHKKKYLYIDGET-UHFFFAOYSA-N 2 1 349.519 2.132 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001676845665 1357219192 /nfs/dbraw/zinc/21/91/92/1357219192.db2.gz MBHZRIHKKPTKDH-KZNAEPCWSA-N 2 1 333.520 2.204 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001676989991 1357256722 /nfs/dbraw/zinc/25/67/22/1357256722.db2.gz KEDBIKHXUHYPRN-SJORKVTESA-N 2 1 339.524 2.114 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001676989991 1357256724 /nfs/dbraw/zinc/25/67/24/1357256724.db2.gz KEDBIKHXUHYPRN-SJORKVTESA-N 2 1 339.524 2.114 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656678164 1354263728 /nfs/dbraw/zinc/26/37/28/1354263728.db2.gz WEKIYWRDOZZYRH-QRVBRYPASA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656678164 1354263730 /nfs/dbraw/zinc/26/37/30/1354263730.db2.gz WEKIYWRDOZZYRH-QRVBRYPASA-N 2 1 345.462 2.073 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC/C=C\CCC)C1 ZINC001663593296 1354995864 /nfs/dbraw/zinc/99/58/64/1354995864.db2.gz RRKQDAMGRRWPRB-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001663593296 1354995865 /nfs/dbraw/zinc/99/58/65/1354995865.db2.gz RRKQDAMGRRWPRB-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001663593296 1354995868 /nfs/dbraw/zinc/99/58/68/1354995868.db2.gz RRKQDAMGRRWPRB-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C\CCC)C1 ZINC001663593296 1354995871 /nfs/dbraw/zinc/99/58/71/1354995871.db2.gz RRKQDAMGRRWPRB-RJCMGOLDSA-N 2 1 331.504 2.269 10 30 EEEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)CC)C1)C(C)C ZINC001665702008 1355364909 /nfs/dbraw/zinc/36/49/09/1355364909.db2.gz ULYOFMJEHLLNNZ-ROUUACIJSA-N 2 1 336.524 2.421 10 30 EEEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001666244857 1355493825 /nfs/dbraw/zinc/49/38/25/1355493825.db2.gz KWHGZEVVEIMGEW-KRWDZBQOSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001672356021 1356508566 /nfs/dbraw/zinc/50/85/66/1356508566.db2.gz NQXOSYGMJVSFKA-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001672356021 1356508568 /nfs/dbraw/zinc/50/85/68/1356508568.db2.gz NQXOSYGMJVSFKA-REPLKXPHSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522068 /nfs/dbraw/zinc/52/20/68/1356522068.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522070 /nfs/dbraw/zinc/52/20/70/1356522070.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522071 /nfs/dbraw/zinc/52/20/71/1356522071.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001673645353 1356725212 /nfs/dbraw/zinc/72/52/12/1356725212.db2.gz JGQAYCGZSBBMQE-MJGOQNOKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCC)CC1(C)C ZINC001674022818 1356776044 /nfs/dbraw/zinc/77/60/44/1356776044.db2.gz GVRJACBAHKIFHG-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCC)CC1(C)C ZINC001674022818 1356776046 /nfs/dbraw/zinc/77/60/46/1356776046.db2.gz GVRJACBAHKIFHG-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC)CC1(C)C ZINC001674022818 1356776049 /nfs/dbraw/zinc/77/60/49/1356776049.db2.gz GVRJACBAHKIFHG-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC)CC1(C)C ZINC001674022818 1356776053 /nfs/dbraw/zinc/77/60/53/1356776053.db2.gz GVRJACBAHKIFHG-ROUUACIJSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001674347722 1356822403 /nfs/dbraw/zinc/82/24/03/1356822403.db2.gz KLGHSZZREPUYLA-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699114227 1405269514 /nfs/dbraw/zinc/26/95/14/1405269514.db2.gz CRRNZUHLLCETQH-QFBILLFUSA-N 2 1 345.462 2.146 10 30 EEEEMP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc(C)c1C#N ZINC000906677660 784073610 /nfs/dbraw/zinc/07/36/10/784073610.db2.gz NWLCWCPIZXLQNV-UHFFFAOYSA-N 2 1 342.487 2.273 10 30 EEEEMP Cc1cc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc(C)c1C#N ZINC000906677660 784073612 /nfs/dbraw/zinc/07/36/12/784073612.db2.gz NWLCWCPIZXLQNV-UHFFFAOYSA-N 2 1 342.487 2.273 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001437002020 1088762260 /nfs/dbraw/zinc/76/22/60/1088762260.db2.gz KJDMQYXCACJBEA-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001437002020 1088762270 /nfs/dbraw/zinc/76/22/70/1088762270.db2.gz KJDMQYXCACJBEA-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001437002020 1088762285 /nfs/dbraw/zinc/76/22/85/1088762285.db2.gz KJDMQYXCACJBEA-OAHLLOKOSA-N 2 1 348.516 2.288 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214497 1089295697 /nfs/dbraw/zinc/29/56/97/1089295697.db2.gz LMWCPMYKFUEAML-YOEHRIQHSA-N 2 1 348.516 2.477 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001439465982 1092250622 /nfs/dbraw/zinc/25/06/22/1092250622.db2.gz GYGIGBMPHQCDKY-JKSUJKDBSA-N 2 1 327.900 2.344 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001479847846 1099142828 /nfs/dbraw/zinc/14/28/28/1099142828.db2.gz UMZABOHVAWYPII-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001479847846 1099142831 /nfs/dbraw/zinc/14/28/31/1099142831.db2.gz UMZABOHVAWYPII-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001479847846 1099142832 /nfs/dbraw/zinc/14/28/32/1099142832.db2.gz UMZABOHVAWYPII-IBGZPJMESA-N 2 1 342.487 2.371 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058672 1099581132 /nfs/dbraw/zinc/58/11/32/1099581132.db2.gz RQYCRMKCMLPOGB-IBGZPJMESA-N 2 1 345.462 2.003 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492443 1100304046 /nfs/dbraw/zinc/30/40/46/1100304046.db2.gz KLPBFRHICBWKDV-PBHICJAKSA-N 2 1 348.516 2.334 10 30 EEEEMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480527932 1100358729 /nfs/dbraw/zinc/35/87/29/1100358729.db2.gz YFBJAFMKFMIYLW-DZKIICNBSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001496600660 1101201860 /nfs/dbraw/zinc/20/18/60/1101201860.db2.gz WWVJCPQHDZOMED-WMZOPIPTSA-N 2 1 332.492 2.451 10 30 EEEEMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597739 1104184717 /nfs/dbraw/zinc/18/47/17/1104184717.db2.gz SWHIIQYNUFLSBH-UXHICEINSA-N 2 1 341.499 2.346 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC001494876487 1104486631 /nfs/dbraw/zinc/48/66/31/1104486631.db2.gz PQFLYQTYUQVWFF-SFHVURJKSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCc1ccc(C)cc1 ZINC001495001496 1104643645 /nfs/dbraw/zinc/64/36/45/1104643645.db2.gz GEDVSBDMZVNGSY-PMACEKPBSA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCc1ccc(C)cc1 ZINC001495001496 1104643651 /nfs/dbraw/zinc/64/36/51/1104643651.db2.gz GEDVSBDMZVNGSY-PMACEKPBSA-N 2 1 341.499 2.120 10 30 EEEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001480665037 1106845017 /nfs/dbraw/zinc/84/50/17/1106845017.db2.gz HSQDFVVGBWUQJI-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001480832668 1107229438 /nfs/dbraw/zinc/22/94/38/1107229438.db2.gz DRUXGCVMLIMYQZ-FQEVSTJZSA-N 2 1 345.531 2.493 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498456749 1107564890 /nfs/dbraw/zinc/56/48/90/1107564890.db2.gz KTXAKNHMLZRFQA-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498456749 1107564904 /nfs/dbraw/zinc/56/49/04/1107564904.db2.gz KTXAKNHMLZRFQA-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=C)Cl)C(C)C ZINC001493861072 1108753082 /nfs/dbraw/zinc/75/30/82/1108753082.db2.gz ZIQOQKBRIGFNPI-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=C)Cl)C(C)C ZINC001493861072 1108753088 /nfs/dbraw/zinc/75/30/88/1108753088.db2.gz ZIQOQKBRIGFNPI-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)Cl)C(C)C ZINC001493861072 1108753092 /nfs/dbraw/zinc/75/30/92/1108753092.db2.gz ZIQOQKBRIGFNPI-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)Cl)C(C)C ZINC001493861072 1108753100 /nfs/dbraw/zinc/75/31/00/1108753100.db2.gz ZIQOQKBRIGFNPI-INIZCTEOSA-N 2 1 325.884 2.053 10 30 EEEEMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001501169873 1113225920 /nfs/dbraw/zinc/22/59/20/1113225920.db2.gz HRPJBTPGUGFEOB-BCDXTJNWSA-N 2 1 342.487 2.389 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001501169873 1113225922 /nfs/dbraw/zinc/22/59/22/1113225922.db2.gz HRPJBTPGUGFEOB-BCDXTJNWSA-N 2 1 342.487 2.389 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938058 1114987558 /nfs/dbraw/zinc/98/75/58/1114987558.db2.gz JXKKVSCYIOOTDR-DLBZAZTESA-N 2 1 342.487 2.275 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445374 1115273562 /nfs/dbraw/zinc/27/35/62/1115273562.db2.gz BEFQGXOYFKSSTO-KXBFYZLASA-N 2 1 337.483 2.049 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445373 1115273614 /nfs/dbraw/zinc/27/36/14/1115273614.db2.gz BEFQGXOYFKSSTO-HNAYVOBHSA-N 2 1 337.483 2.049 10 30 EEEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001508030124 1115393777 /nfs/dbraw/zinc/39/37/77/1115393777.db2.gz PEWNKWNHPJQYKC-CEXWTWQISA-N 2 1 341.499 2.086 10 30 EEEEMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001568253154 1124387690 /nfs/dbraw/zinc/38/76/90/1124387690.db2.gz ZABDUHPSLTXCIS-IBGZPJMESA-N 2 1 339.483 2.237 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568647366 1124659325 /nfs/dbraw/zinc/65/93/25/1124659325.db2.gz YJCXLAYEYUXBJZ-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713986 1124731751 /nfs/dbraw/zinc/73/17/51/1124731751.db2.gz MLUVNMFAQATSOG-QUCCMNQESA-N 2 1 341.499 2.397 10 30 EEEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245686990 464507324 /nfs/dbraw/zinc/50/73/24/464507324.db2.gz WJCXAAFSKLQSBQ-RBUKOAKNSA-N 2 1 342.487 2.381 10 30 EEEEMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)CC1 ZINC000245713081 464510153 /nfs/dbraw/zinc/51/01/53/464510153.db2.gz GJJYYRILEHEHRU-IEBWSBKVSA-N 2 1 342.487 2.189 10 30 EEEEMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941212 466029793 /nfs/dbraw/zinc/02/97/93/466029793.db2.gz AIBLJCQBVDQYOC-ZRNYENFQSA-N 2 1 332.488 2.277 10 30 EEEEMP C[C@H](CO)[NH+](CC#CC[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179014 466455077 /nfs/dbraw/zinc/45/50/77/466455077.db2.gz ZIMWHXLJCFBHEA-HDICACEKSA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@H](CO)[N@@H+](CC#CC[NH+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179014 466455085 /nfs/dbraw/zinc/45/50/85/466455085.db2.gz ZIMWHXLJCFBHEA-HDICACEKSA-N 2 1 336.520 2.241 10 30 EEEEMP C[C@H](CO)[N@H+](CC#CC[NH+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179014 466455094 /nfs/dbraw/zinc/45/50/94/466455094.db2.gz ZIMWHXLJCFBHEA-HDICACEKSA-N 2 1 336.520 2.241 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000894638801 683008082 /nfs/dbraw/zinc/00/80/82/683008082.db2.gz GUYPDHODMOSJBY-QLFBSQMISA-N 2 1 348.409 2.441 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000894638801 683008084 /nfs/dbraw/zinc/00/80/84/683008084.db2.gz GUYPDHODMOSJBY-QLFBSQMISA-N 2 1 348.409 2.441 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001690977154 1176410417 /nfs/dbraw/zinc/41/04/17/1176410417.db2.gz DJSNRSZHQHDCKL-YQVWRLOYSA-N 2 1 342.487 2.253 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001690977154 1176410421 /nfs/dbraw/zinc/41/04/21/1176410421.db2.gz DJSNRSZHQHDCKL-YQVWRLOYSA-N 2 1 342.487 2.253 10 30 EEEEMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948222 1177872401 /nfs/dbraw/zinc/87/24/01/1177872401.db2.gz LNAJWWOZDWCXDO-CRAIPNDOSA-N 2 1 347.890 2.270 10 30 EEEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC001267520829 1179251210 /nfs/dbraw/zinc/25/12/10/1179251210.db2.gz TXJGXEIQEOFATO-MJGOQNOKSA-N 2 1 338.455 2.387 10 30 EEEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585899 1179548951 /nfs/dbraw/zinc/54/89/51/1179548951.db2.gz FQFNNMAHNZIHFD-HNNXBMFYSA-N 2 1 334.464 2.096 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585899 1179548955 /nfs/dbraw/zinc/54/89/55/1179548955.db2.gz FQFNNMAHNZIHFD-HNNXBMFYSA-N 2 1 334.464 2.096 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481120043 1179799650 /nfs/dbraw/zinc/79/96/50/1179799650.db2.gz WEMOEXRKRMLAIB-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120043 1179799652 /nfs/dbraw/zinc/79/96/52/1179799652.db2.gz WEMOEXRKRMLAIB-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481120043 1179799656 /nfs/dbraw/zinc/79/96/56/1179799656.db2.gz WEMOEXRKRMLAIB-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267751950 1180412212 /nfs/dbraw/zinc/41/22/12/1180412212.db2.gz DBSPLSWGFZMIBS-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001267938350 1180793929 /nfs/dbraw/zinc/79/39/29/1180793929.db2.gz TYOQBCWHEIOJPC-WOJBJXKFSA-N 2 1 339.483 2.433 10 30 EEEEMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001268192428 1181985754 /nfs/dbraw/zinc/98/57/54/1181985754.db2.gz ONMCZSYJIJRBQR-AEFFLSMTSA-N 2 1 330.476 2.212 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001268944025 1183840584 /nfs/dbraw/zinc/84/05/84/1183840584.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 1 343.475 2.041 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001268944025 1183840585 /nfs/dbraw/zinc/84/05/85/1183840585.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 1 343.475 2.041 10 30 EEEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001268944025 1183840586 /nfs/dbraw/zinc/84/05/86/1183840586.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 1 343.475 2.041 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001269187858 1184042707 /nfs/dbraw/zinc/04/27/07/1184042707.db2.gz YQNKQRAXKFRPPJ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001269187858 1184042714 /nfs/dbraw/zinc/04/27/14/1184042714.db2.gz YQNKQRAXKFRPPJ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001269187858 1184042719 /nfs/dbraw/zinc/04/27/19/1184042719.db2.gz YQNKQRAXKFRPPJ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001269187858 1184042725 /nfs/dbraw/zinc/04/27/25/1184042725.db2.gz YQNKQRAXKFRPPJ-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001269570230 1184399503 /nfs/dbraw/zinc/39/95/03/1184399503.db2.gz GADKOILGMYRHGP-IPQPSQTFSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001269798086 1184626445 /nfs/dbraw/zinc/62/64/45/1184626445.db2.gz HLDPGOFREFSXGF-HKUYNNGSSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001270065842 1184823530 /nfs/dbraw/zinc/82/35/30/1184823530.db2.gz ZARWSBFABLPATG-LJQANCHMSA-N 2 1 327.472 2.290 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001270118075 1184861727 /nfs/dbraw/zinc/86/17/27/1184861727.db2.gz GMSVWLRNWFNICQ-MRXNPFEDSA-N 2 1 330.476 2.248 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001270797416 1185392215 /nfs/dbraw/zinc/39/22/15/1185392215.db2.gz OCOXFDQFISBPNN-LJQANCHMSA-N 2 1 346.475 2.288 10 30 EEEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000382255300 1185392374 /nfs/dbraw/zinc/39/23/74/1185392374.db2.gz WBEFOFUDGQZZBD-INIZCTEOSA-N 2 1 325.497 2.328 10 30 EEEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000382255300 1185392382 /nfs/dbraw/zinc/39/23/82/1185392382.db2.gz WBEFOFUDGQZZBD-INIZCTEOSA-N 2 1 325.497 2.328 10 30 EEEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001671720433 1193493720 /nfs/dbraw/zinc/49/37/20/1193493720.db2.gz QTLRDAVGBYPVJV-PKOBYXMFSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001671720433 1193493721 /nfs/dbraw/zinc/49/37/21/1193493721.db2.gz QTLRDAVGBYPVJV-PKOBYXMFSA-N 2 1 339.524 2.116 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)c1 ZINC001272837960 1193571781 /nfs/dbraw/zinc/57/17/81/1193571781.db2.gz NWUHOZMBZMSNOO-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)c1 ZINC001272837960 1193571785 /nfs/dbraw/zinc/57/17/85/1193571785.db2.gz NWUHOZMBZMSNOO-QAPCUYQASA-N 2 1 347.890 2.422 10 30 EEEEMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272246 1190296255 /nfs/dbraw/zinc/29/62/55/1190296255.db2.gz PYBRFRJOAXKTRZ-YOEHRIQHSA-N 2 1 348.516 2.477 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H]1C ZINC001486093825 1193679366 /nfs/dbraw/zinc/67/93/66/1193679366.db2.gz QESRHMOVJGUHGM-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483942439 1191125679 /nfs/dbraw/zinc/12/56/79/1191125679.db2.gz NAKNNNAQNOVCQV-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484159300 1191247536 /nfs/dbraw/zinc/24/75/36/1191247536.db2.gz RULJFHYCKJOONA-FUHWJXTLSA-N 2 1 339.911 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484159300 1191247538 /nfs/dbraw/zinc/24/75/38/1191247538.db2.gz RULJFHYCKJOONA-FUHWJXTLSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001485455283 1191791515 /nfs/dbraw/zinc/79/15/15/1191791515.db2.gz KDUKFGOSADQBIW-KRWDZBQOSA-N 2 1 342.487 2.186 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272968232 1194277070 /nfs/dbraw/zinc/27/70/70/1194277070.db2.gz YJCXLAYEYUXBJZ-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000876728784 1199743246 /nfs/dbraw/zinc/74/32/46/1199743246.db2.gz VMZLSHWGIJUQED-AAEUAGOBSA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000876728784 1199743251 /nfs/dbraw/zinc/74/32/51/1199743251.db2.gz VMZLSHWGIJUQED-AAEUAGOBSA-N 2 1 327.881 2.081 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967840 1199832387 /nfs/dbraw/zinc/83/23/87/1199832387.db2.gz MCPFGLJSDLQSOX-SJORKVTESA-N 2 1 335.879 2.232 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275407808 1205344491 /nfs/dbraw/zinc/34/44/91/1205344491.db2.gz WFCPBGQHPVJWFG-DOTOQJQBSA-N 2 1 347.890 2.128 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000929848056 1206508372 /nfs/dbraw/zinc/50/83/72/1206508372.db2.gz PMCYRKWAFKAQOX-MJGOQNOKSA-N 2 1 325.456 2.413 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000929848056 1206508373 /nfs/dbraw/zinc/50/83/73/1206508373.db2.gz PMCYRKWAFKAQOX-MJGOQNOKSA-N 2 1 325.456 2.413 10 30 EEEEMP COCC[NH+](CCOC)C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930468298 1206560487 /nfs/dbraw/zinc/56/04/87/1206560487.db2.gz ZZGMNHUZXYXAHC-UHFFFAOYSA-N 2 1 337.508 2.376 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001491463731 1259116592 /nfs/dbraw/zinc/11/65/92/1259116592.db2.gz QGBNGPILRPTMHV-JEBQAFNWSA-N 2 1 346.450 2.022 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001491463731 1259116601 /nfs/dbraw/zinc/11/66/01/1259116601.db2.gz QGBNGPILRPTMHV-JEBQAFNWSA-N 2 1 346.450 2.022 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001691861430 1277986612 /nfs/dbraw/zinc/98/66/12/1277986612.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001691861430 1277986618 /nfs/dbraw/zinc/98/66/18/1277986618.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691861430 1277986627 /nfs/dbraw/zinc/98/66/27/1277986627.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001273807817 1286205126 /nfs/dbraw/zinc/20/51/26/1286205126.db2.gz UDSWUWPQWSZXSE-LJQANCHMSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277474049 1303559776 /nfs/dbraw/zinc/55/97/76/1303559776.db2.gz MRQKEEHOJNPVJL-HXUWFJFHSA-N 2 1 331.504 2.200 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC001279002891 1318970215 /nfs/dbraw/zinc/97/02/15/1318970215.db2.gz QVIMCUMMBSXGOV-HNAYVOBHSA-N 2 1 339.499 2.343 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264194521 1322660884 /nfs/dbraw/zinc/66/08/84/1322660884.db2.gz AJOIFTRYFHXSQK-IAGOWNOFSA-N 2 1 339.524 2.136 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001265119432 1322929471 /nfs/dbraw/zinc/92/94/71/1322929471.db2.gz GAUDHTYUBKBOHY-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC001265119432 1322929474 /nfs/dbraw/zinc/92/94/74/1322929474.db2.gz GAUDHTYUBKBOHY-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC001265119432 1322929477 /nfs/dbraw/zinc/92/94/77/1322929477.db2.gz GAUDHTYUBKBOHY-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001265327529 1323075831 /nfs/dbraw/zinc/07/58/31/1323075831.db2.gz ISMZSVWVNSWOFG-IRXDYDNUSA-N 2 1 342.487 2.391 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265396512 1323127031 /nfs/dbraw/zinc/12/70/31/1323127031.db2.gz FIGPKYGARAKUJH-GOSISDBHSA-N 2 1 330.476 2.165 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265396512 1323127035 /nfs/dbraw/zinc/12/70/35/1323127035.db2.gz FIGPKYGARAKUJH-GOSISDBHSA-N 2 1 330.476 2.165 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001491956784 1330349078 /nfs/dbraw/zinc/34/90/78/1330349078.db2.gz VWMNJANFMLELBX-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001491956784 1330349083 /nfs/dbraw/zinc/34/90/83/1330349083.db2.gz VWMNJANFMLELBX-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001491956784 1330349091 /nfs/dbraw/zinc/34/90/91/1330349091.db2.gz VWMNJANFMLELBX-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167605 1331033643 /nfs/dbraw/zinc/03/36/43/1331033643.db2.gz WMNQOILAKZUCSI-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492167605 1331033648 /nfs/dbraw/zinc/03/36/48/1331033648.db2.gz WMNQOILAKZUCSI-QZTJIDSGSA-N 2 1 342.487 2.138 10 30 EEEEMP CC#CC[NH2+]CCc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001317365594 1332196987 /nfs/dbraw/zinc/19/69/87/1332196987.db2.gz DOOFPAQQMHPWKR-HXUWFJFHSA-N 2 1 341.499 2.333 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C/C=C/Cl)C(C)C ZINC001317687967 1332374455 /nfs/dbraw/zinc/37/44/55/1332374455.db2.gz CFQAKVPWYGFCTF-FSNWXROXSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C/C=C/Cl)C(C)C ZINC001317687967 1332374457 /nfs/dbraw/zinc/37/44/57/1332374457.db2.gz CFQAKVPWYGFCTF-FSNWXROXSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C/Cl)C(C)C ZINC001317687967 1332374460 /nfs/dbraw/zinc/37/44/60/1332374460.db2.gz CFQAKVPWYGFCTF-FSNWXROXSA-N 2 1 325.884 2.053 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C/Cl)C(C)C ZINC001317687967 1332374463 /nfs/dbraw/zinc/37/44/63/1332374463.db2.gz CFQAKVPWYGFCTF-FSNWXROXSA-N 2 1 325.884 2.053 10 30 EEEEMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195246 1332663573 /nfs/dbraw/zinc/66/35/73/1332663573.db2.gz GJODJRJWILGBFK-AZUAARDMSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(CF)cc1 ZINC001320008367 1332809696 /nfs/dbraw/zinc/80/96/96/1332809696.db2.gz HLSSZXUMORJAEG-IBGZPJMESA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(CF)cc1 ZINC001320008367 1332809698 /nfs/dbraw/zinc/80/96/98/1332809698.db2.gz HLSSZXUMORJAEG-IBGZPJMESA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CF)cc1 ZINC001320008367 1332809701 /nfs/dbraw/zinc/80/97/01/1332809701.db2.gz HLSSZXUMORJAEG-IBGZPJMESA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CF)cc1 ZINC001320008367 1332809705 /nfs/dbraw/zinc/80/97/05/1332809705.db2.gz HLSSZXUMORJAEG-IBGZPJMESA-N 2 1 345.462 2.144 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001325656341 1333934395 /nfs/dbraw/zinc/93/43/95/1333934395.db2.gz NYPZSOJTBNIWNI-MKXGPGLRSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740806 1333951012 /nfs/dbraw/zinc/95/10/12/1333951012.db2.gz OMLBRXHEUZMZAG-FJIDUMEYSA-N 2 1 339.499 2.411 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173803 1334240192 /nfs/dbraw/zinc/24/01/92/1334240192.db2.gz UGZAOBYQYUPPRL-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805262 1334524945 /nfs/dbraw/zinc/52/49/45/1334524945.db2.gz DRGVIJZEYWKZRG-RTBURBONSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001331177439 1334976181 /nfs/dbraw/zinc/97/61/81/1334976181.db2.gz UQQGCELGCFQMMH-RTBURBONSA-N 2 1 327.472 2.189 10 30 EEEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332901435 1335927672 /nfs/dbraw/zinc/92/76/72/1335927672.db2.gz ZKNJADOWYKOFRR-ZWKOTPCHSA-N 2 1 329.488 2.433 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023139 1335949744 /nfs/dbraw/zinc/94/97/44/1335949744.db2.gz YFJYKZKHSBVCBR-UONOGXRCSA-N 2 1 335.414 2.273 10 30 EEEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001569822324 1342952668 /nfs/dbraw/zinc/95/26/68/1342952668.db2.gz YLTZBYZJHGEETG-CVEARBPZSA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001570049071 1343004284 /nfs/dbraw/zinc/00/42/84/1343004284.db2.gz DUTDGBMKIILRPK-KESTWPANSA-N 2 1 341.499 2.406 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001570049071 1343004287 /nfs/dbraw/zinc/00/42/87/1343004287.db2.gz DUTDGBMKIILRPK-KESTWPANSA-N 2 1 341.499 2.406 10 30 EEEEMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571064283 1343159273 /nfs/dbraw/zinc/15/92/73/1343159273.db2.gz OFEWRDXESCRSBZ-RLLQIKCJSA-N 2 1 333.520 2.301 10 30 EEEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676820425 1357212764 /nfs/dbraw/zinc/21/27/64/1357212764.db2.gz KXVHUNVRSQIXNC-WSTZPKSXSA-N 2 1 349.519 2.034 10 30 EEEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676820425 1357212766 /nfs/dbraw/zinc/21/27/66/1357212766.db2.gz KXVHUNVRSQIXNC-WSTZPKSXSA-N 2 1 349.519 2.034 10 30 EEEEMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001656664996 1354261347 /nfs/dbraw/zinc/26/13/47/1354261347.db2.gz LTBRHYLYUHRVDN-RTBURBONSA-N 2 1 329.488 2.489 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001661271357 1354621168 /nfs/dbraw/zinc/62/11/68/1354621168.db2.gz QHWKCEWWNQDXLB-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001661271357 1354621170 /nfs/dbraw/zinc/62/11/70/1354621170.db2.gz QHWKCEWWNQDXLB-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001661946087 1354727205 /nfs/dbraw/zinc/72/72/05/1354727205.db2.gz FIEOZGPWSSYPLV-SJORKVTESA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977033 1354731844 /nfs/dbraw/zinc/73/18/44/1354731844.db2.gz IWMBVIYYTVGGBX-ZWKOTPCHSA-N 2 1 331.504 2.197 10 30 EEEEMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001664241858 1355120501 /nfs/dbraw/zinc/12/05/01/1355120501.db2.gz XCDPWRDIGAXHBV-YOEHRIQHSA-N 2 1 346.500 2.185 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760359 1355227411 /nfs/dbraw/zinc/22/74/11/1355227411.db2.gz QOAQMWYDNLXDTL-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001664760359 1355227415 /nfs/dbraw/zinc/22/74/15/1355227415.db2.gz QOAQMWYDNLXDTL-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001665686334 1355360816 /nfs/dbraw/zinc/36/08/16/1355360816.db2.gz HZWIYKAUZPWBTF-IEBWSBKVSA-N 2 1 331.504 2.219 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001672863607 1356601960 /nfs/dbraw/zinc/60/19/60/1356601960.db2.gz PBWRWEJBYUTCCN-IAGOWNOFSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001673953983 1356765000 /nfs/dbraw/zinc/76/50/00/1356765000.db2.gz XWANCSMIAIXCPC-KRWDZBQOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=CCC[NH2+]C1(C)CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001673953983 1356765006 /nfs/dbraw/zinc/76/50/06/1356765006.db2.gz XWANCSMIAIXCPC-KRWDZBQOSA-N 2 1 345.491 2.337 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC001674205073 1356805190 /nfs/dbraw/zinc/80/51/90/1356805190.db2.gz FEDNEQZZCYJNSU-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC001674205073 1356805194 /nfs/dbraw/zinc/80/51/94/1356805194.db2.gz FEDNEQZZCYJNSU-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC001674205073 1356805198 /nfs/dbraw/zinc/80/51/98/1356805198.db2.gz FEDNEQZZCYJNSU-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC001674205073 1356805199 /nfs/dbraw/zinc/80/51/99/1356805199.db2.gz FEDNEQZZCYJNSU-QGZVFWFLSA-N 2 1 334.508 2.038 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001674347454 1356822575 /nfs/dbraw/zinc/82/25/75/1356822575.db2.gz FUFWSVBFRBYSRV-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001674499406 1356848240 /nfs/dbraw/zinc/84/82/40/1356848240.db2.gz IBRDKJJMZFMYHO-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019273 1356924695 /nfs/dbraw/zinc/92/46/95/1356924695.db2.gz CAFNRNCTOYQMJZ-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019273 1356924701 /nfs/dbraw/zinc/92/47/01/1356924701.db2.gz CAFNRNCTOYQMJZ-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)CC1 ZINC001698956242 1405188055 /nfs/dbraw/zinc/18/80/55/1405188055.db2.gz QGQUQYNQQAMSRA-UHFFFAOYSA-N 2 1 345.531 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C ZINC001699105400 1405259563 /nfs/dbraw/zinc/25/95/63/1405259563.db2.gz TZSWSZQBPFTKBJ-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C ZINC001699105400 1405259569 /nfs/dbraw/zinc/25/95/69/1405259569.db2.gz TZSWSZQBPFTKBJ-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001699827782 1405513687 /nfs/dbraw/zinc/51/36/87/1405513687.db2.gz SDLDSWSSASQTQS-FQEVSTJZSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCC)C1 ZINC001699842064 1405521093 /nfs/dbraw/zinc/52/10/93/1405521093.db2.gz VJAKSIHNIUJMQF-AZUAARDMSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCC)C1 ZINC001699842064 1405521098 /nfs/dbraw/zinc/52/10/98/1405521098.db2.gz VJAKSIHNIUJMQF-AZUAARDMSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743524 779231284 /nfs/dbraw/zinc/23/12/84/779231284.db2.gz CCPHQIVFQIRMCZ-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743524 779231287 /nfs/dbraw/zinc/23/12/87/779231287.db2.gz CCPHQIVFQIRMCZ-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743524 779231288 /nfs/dbraw/zinc/23/12/88/779231288.db2.gz CCPHQIVFQIRMCZ-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CCOc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925843265 779402478 /nfs/dbraw/zinc/40/24/78/779402478.db2.gz DKIJKDNZJVIMIF-SFHVURJKSA-N 2 1 329.488 2.425 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076614 779797338 /nfs/dbraw/zinc/79/73/38/779797338.db2.gz YRQRXWXGQPLVLI-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237517 780225736 /nfs/dbraw/zinc/22/57/36/780225736.db2.gz OEJWYSPURKOFME-IBGZPJMESA-N 2 1 345.531 2.348 10 30 EEEEMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001566045394 1125522067 /nfs/dbraw/zinc/52/20/67/1125522067.db2.gz WYJWJYAXOKPHMB-YDZRNGNQSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001566045394 1125522070 /nfs/dbraw/zinc/52/20/70/1125522070.db2.gz WYJWJYAXOKPHMB-YDZRNGNQSA-N 2 1 333.520 2.463 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001566045394 1125522074 /nfs/dbraw/zinc/52/20/74/1125522074.db2.gz WYJWJYAXOKPHMB-YDZRNGNQSA-N 2 1 333.520 2.463 10 30 EEEEMP C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1C#N ZINC001566471172 1125631974 /nfs/dbraw/zinc/63/19/74/1125631974.db2.gz PQPSOBPBZJRIQO-UHFFFAOYSA-N 2 1 340.471 2.125 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001436485118 1087977176 /nfs/dbraw/zinc/97/71/76/1087977176.db2.gz QHKXSBAECPZUHJ-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001436485118 1087977187 /nfs/dbraw/zinc/97/71/87/1087977187.db2.gz QHKXSBAECPZUHJ-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001436485118 1087977197 /nfs/dbraw/zinc/97/71/97/1087977197.db2.gz QHKXSBAECPZUHJ-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001436485118 1087977206 /nfs/dbraw/zinc/97/72/06/1087977206.db2.gz QHKXSBAECPZUHJ-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797761 1099712666 /nfs/dbraw/zinc/71/26/66/1099712666.db2.gz WQXPRVXQZBLNMU-LPHOPBHVSA-N 2 1 342.487 2.225 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480218537 1099835675 /nfs/dbraw/zinc/83/56/75/1099835675.db2.gz MCZJNVSKJAKGCH-FGTMMUONSA-N 2 1 345.874 2.023 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001496846057 1101591155 /nfs/dbraw/zinc/59/11/55/1101591155.db2.gz YUBYKWGNDQUYRW-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001496846057 1101591159 /nfs/dbraw/zinc/59/11/59/1101591159.db2.gz YUBYKWGNDQUYRW-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001496846057 1101591166 /nfs/dbraw/zinc/59/11/66/1101591166.db2.gz YUBYKWGNDQUYRW-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001496846057 1101591172 /nfs/dbraw/zinc/59/11/72/1101591172.db2.gz YUBYKWGNDQUYRW-UHFFFAOYSA-N 2 1 349.906 2.422 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1F ZINC001497600618 1102730782 /nfs/dbraw/zinc/73/07/82/1102730782.db2.gz KWDNABSLHAPTLY-NHBNWDHASA-N 2 1 343.446 2.246 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1F ZINC001497600618 1102730785 /nfs/dbraw/zinc/73/07/85/1102730785.db2.gz KWDNABSLHAPTLY-NHBNWDHASA-N 2 1 343.446 2.246 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082373 1103495226 /nfs/dbraw/zinc/49/52/26/1103495226.db2.gz FDICQXBVKSLGPF-RBUKOAKNSA-N 2 1 333.520 2.348 10 30 EEEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480701697 1106914773 /nfs/dbraw/zinc/91/47/73/1106914773.db2.gz MPHXFSACMJEDFB-PMACEKPBSA-N 2 1 341.499 2.201 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197827 1107068216 /nfs/dbraw/zinc/06/82/16/1107068216.db2.gz WWKVENXRWFNZHD-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001493151005 1107599513 /nfs/dbraw/zinc/59/95/13/1107599513.db2.gz IHXXRLZZJHQIII-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001493151005 1107599524 /nfs/dbraw/zinc/59/95/24/1107599524.db2.gz IHXXRLZZJHQIII-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001493151005 1107599529 /nfs/dbraw/zinc/59/95/29/1107599529.db2.gz IHXXRLZZJHQIII-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001493151005 1107599544 /nfs/dbraw/zinc/59/95/44/1107599544.db2.gz IHXXRLZZJHQIII-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001493546160 1108293604 /nfs/dbraw/zinc/29/36/04/1108293604.db2.gz NGAXCSWUTWJRPF-LJQANCHMSA-N 2 1 345.462 2.098 10 30 EEEEMP C#CCC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001499997929 1112571695 /nfs/dbraw/zinc/57/16/95/1112571695.db2.gz XLJBLCZJFURCHX-IBGZPJMESA-N 2 1 337.483 2.193 10 30 EEEEMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001500519370 1112911935 /nfs/dbraw/zinc/91/19/35/1112911935.db2.gz NKNHUPQOIZHJNH-GOSISDBHSA-N 2 1 348.516 2.290 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500523462 1112916956 /nfs/dbraw/zinc/91/69/56/1112916956.db2.gz XTMOJDZJBRVXNP-PBHICJAKSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500523462 1112916962 /nfs/dbraw/zinc/91/69/62/1112916962.db2.gz XTMOJDZJBRVXNP-PBHICJAKSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500523462 1112916967 /nfs/dbraw/zinc/91/69/67/1112916967.db2.gz XTMOJDZJBRVXNP-PBHICJAKSA-N 2 1 327.900 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500523462 1112916971 /nfs/dbraw/zinc/91/69/71/1112916971.db2.gz XTMOJDZJBRVXNP-PBHICJAKSA-N 2 1 327.900 2.299 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001502459956 1113691904 /nfs/dbraw/zinc/69/19/04/1113691904.db2.gz MTXNIERIPJCXRN-MSOLQXFVSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001502459956 1113691907 /nfs/dbraw/zinc/69/19/07/1113691907.db2.gz MTXNIERIPJCXRN-MSOLQXFVSA-N 2 1 349.519 2.033 10 30 EEEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001505829546 1114219556 /nfs/dbraw/zinc/21/95/56/1114219556.db2.gz MMRCCFFABDZOIR-INIZCTEOSA-N 2 1 332.492 2.404 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001508115179 1115422672 /nfs/dbraw/zinc/42/26/72/1115422672.db2.gz PXKVCMDHAVYJQI-ABHNRTSZSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001508115179 1115422675 /nfs/dbraw/zinc/42/26/75/1115422675.db2.gz PXKVCMDHAVYJQI-ABHNRTSZSA-N 2 1 333.520 2.489 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCc1ccc(C)cc1 ZINC001568642553 1124655254 /nfs/dbraw/zinc/65/52/54/1124655254.db2.gz QSFNFSOFAOHRHH-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCc1ccc(C)cc1 ZINC001568642553 1124655258 /nfs/dbraw/zinc/65/52/58/1124655258.db2.gz QSFNFSOFAOHRHH-QUCCMNQESA-N 2 1 341.499 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001568997933 1125030776 /nfs/dbraw/zinc/03/07/76/1125030776.db2.gz PQBGCZUZYAUAAK-PBHICJAKSA-N 2 1 349.425 2.316 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001568997933 1125030786 /nfs/dbraw/zinc/03/07/86/1125030786.db2.gz PQBGCZUZYAUAAK-PBHICJAKSA-N 2 1 349.425 2.316 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001569211381 1125167919 /nfs/dbraw/zinc/16/79/19/1125167919.db2.gz ZEIVVDVOFBDDBJ-OAHLLOKOSA-N 2 1 348.516 2.432 10 30 EEEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518378 285250258 /nfs/dbraw/zinc/25/02/58/285250258.db2.gz INHGFQDUNHHGNV-OAHLLOKOSA-N 2 1 334.489 2.108 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000246907222 464633145 /nfs/dbraw/zinc/63/31/45/464633145.db2.gz FVZOYUWSHDODCW-WBVHZDCISA-N 2 1 343.475 2.387 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000246907222 464633152 /nfs/dbraw/zinc/63/31/52/464633152.db2.gz FVZOYUWSHDODCW-WBVHZDCISA-N 2 1 343.475 2.387 10 30 EEEEMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366941211 466030590 /nfs/dbraw/zinc/03/05/90/466030590.db2.gz AIBLJCQBVDQYOC-YRPNKDGESA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941211 466030598 /nfs/dbraw/zinc/03/05/98/466030598.db2.gz AIBLJCQBVDQYOC-YRPNKDGESA-N 2 1 332.488 2.277 10 30 EEEEMP C(#CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941211 466030605 /nfs/dbraw/zinc/03/06/05/466030605.db2.gz AIBLJCQBVDQYOC-YRPNKDGESA-N 2 1 332.488 2.277 10 30 EEEEMP N#CC1(C[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000528485362 467685695 /nfs/dbraw/zinc/68/56/95/467685695.db2.gz MXHLNOUWHJTELV-KRWDZBQOSA-N 2 1 328.460 2.454 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438654 468587615 /nfs/dbraw/zinc/58/76/15/468587615.db2.gz PHLPYIJAQNJHMS-QRQLOZEOSA-N 2 1 342.487 2.424 10 30 EEEEMP C[NH+]=C(NC[C@@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262790085 688473874 /nfs/dbraw/zinc/47/38/74/688473874.db2.gz NSNMORATZZXXDT-HQSKLWIPSA-N 2 1 336.524 2.108 10 30 EEEEMP C=CCCC[C@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904674469 694450734 /nfs/dbraw/zinc/45/07/34/694450734.db2.gz YHEYQFZGRIEKDV-HNNXBMFYSA-N 2 1 342.447 2.240 10 30 EEEEMP CC[NH+]=C(NCc1ncccc1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000097013646 693254378 /nfs/dbraw/zinc/25/43/78/693254378.db2.gz VRAQNGBUDRPIEJ-INIZCTEOSA-N 2 1 329.492 2.462 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658522 1191878911 /nfs/dbraw/zinc/87/89/11/1191878911.db2.gz VQYJDKLNKDBJTR-ZCNNSNEGSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001485813164 1191977395 /nfs/dbraw/zinc/97/73/95/1191977395.db2.gz ICLZCXBHNPWIKL-OALUTQOASA-N 2 1 331.504 2.101 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001485813164 1191977398 /nfs/dbraw/zinc/97/73/98/1191977398.db2.gz ICLZCXBHNPWIKL-OALUTQOASA-N 2 1 331.504 2.101 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497186 1176842116 /nfs/dbraw/zinc/84/21/16/1176842116.db2.gz NPYUAKMFTIXERY-MJGOQNOKSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891841 1177728828 /nfs/dbraw/zinc/72/88/28/1177728828.db2.gz RQCULUFKPZULOY-MSOLQXFVSA-N 2 1 333.520 2.348 10 30 EEEEMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267225316 1178540025 /nfs/dbraw/zinc/54/00/25/1178540025.db2.gz TXWOENJRSHNOLQ-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267225316 1178540033 /nfs/dbraw/zinc/54/00/33/1178540033.db2.gz TXWOENJRSHNOLQ-HNNXBMFYSA-N 2 1 327.432 2.284 10 30 EEEEMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001267307777 1178730450 /nfs/dbraw/zinc/73/04/50/1178730450.db2.gz GZTIALMLFDJJAF-QGZVFWFLSA-N 2 1 348.516 2.431 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267315857 1178743526 /nfs/dbraw/zinc/74/35/26/1178743526.db2.gz XTDHHFLFWMCMKF-LJQANCHMSA-N 2 1 329.488 2.207 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001267386650 1178947410 /nfs/dbraw/zinc/94/74/10/1178947410.db2.gz PDQQNLAXADBGMF-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001267386650 1178947411 /nfs/dbraw/zinc/94/74/11/1178947411.db2.gz PDQQNLAXADBGMF-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001267536114 1179297928 /nfs/dbraw/zinc/29/79/28/1179297928.db2.gz MOKBSHNAFDCZNF-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267536114 1179297931 /nfs/dbraw/zinc/29/79/31/1179297931.db2.gz MOKBSHNAFDCZNF-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001267536114 1179297935 /nfs/dbraw/zinc/29/79/35/1179297935.db2.gz MOKBSHNAFDCZNF-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001267536114 1179297939 /nfs/dbraw/zinc/29/79/39/1179297939.db2.gz MOKBSHNAFDCZNF-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267653043 1180106274 /nfs/dbraw/zinc/10/62/74/1180106274.db2.gz JRSPXDLQRYZSHK-SJORKVTESA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267653043 1180106278 /nfs/dbraw/zinc/10/62/78/1180106278.db2.gz JRSPXDLQRYZSHK-SJORKVTESA-N 2 1 330.476 2.200 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267922817 1180770327 /nfs/dbraw/zinc/77/03/27/1180770327.db2.gz HMCNFOALKJGXDS-KZNAEPCWSA-N 2 1 339.524 2.304 10 30 EEEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922817 1180770333 /nfs/dbraw/zinc/77/03/33/1180770333.db2.gz HMCNFOALKJGXDS-KZNAEPCWSA-N 2 1 339.524 2.304 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647115 /nfs/dbraw/zinc/64/71/15/1181647115.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 1 333.520 2.347 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481912995 1182936979 /nfs/dbraw/zinc/93/69/79/1182936979.db2.gz UZTBVMPKGJIVGV-SJORKVTESA-N 2 1 337.508 2.080 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481912995 1182936982 /nfs/dbraw/zinc/93/69/82/1182936982.db2.gz UZTBVMPKGJIVGV-SJORKVTESA-N 2 1 337.508 2.080 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981594 1183076405 /nfs/dbraw/zinc/07/64/05/1183076405.db2.gz SZJXWYNZFXVGBF-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001481984434 1183087194 /nfs/dbraw/zinc/08/71/94/1183087194.db2.gz MDRYJYYDSUSJSO-RTBURBONSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)cc1 ZINC001482031289 1183168814 /nfs/dbraw/zinc/16/88/14/1183168814.db2.gz IJUIEJBFQSUWST-INIZCTEOSA-N 2 1 338.455 2.436 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268822331 1183741014 /nfs/dbraw/zinc/74/10/14/1183741014.db2.gz MYTADKHZBOVAJI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268822331 1183741021 /nfs/dbraw/zinc/74/10/21/1183741021.db2.gz MYTADKHZBOVAJI-GOSISDBHSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000329833572 1185284416 /nfs/dbraw/zinc/28/44/16/1185284416.db2.gz GMRFYRIMNJQSDB-ONIAQPFYSA-N 2 1 337.508 2.441 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272780575 1193495254 /nfs/dbraw/zinc/49/52/54/1193495254.db2.gz AMSFEZAJXFDRBS-JJRVBVJISA-N 2 1 346.450 2.022 10 30 EEEEMP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001272151771 1187961304 /nfs/dbraw/zinc/96/13/04/1187961304.db2.gz BSZJBBQEILMRJI-SFHVURJKSA-N 2 1 349.906 2.422 10 30 EEEEMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001272151771 1187961305 /nfs/dbraw/zinc/96/13/05/1187961305.db2.gz BSZJBBQEILMRJI-SFHVURJKSA-N 2 1 349.906 2.422 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCc1ccccc1 ZINC001483348794 1190384635 /nfs/dbraw/zinc/38/46/35/1190384635.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCc1ccccc1 ZINC001483348794 1190384637 /nfs/dbraw/zinc/38/46/37/1190384637.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCc1ccccc1 ZINC001483348794 1190384642 /nfs/dbraw/zinc/38/46/42/1190384642.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCc1ccccc1 ZINC001483348794 1190384648 /nfs/dbraw/zinc/38/46/48/1190384648.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCc1ccccc1 ZINC001483348794 1190384653 /nfs/dbraw/zinc/38/46/53/1190384653.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 1 341.499 2.153 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001272599166 1190913742 /nfs/dbraw/zinc/91/37/42/1190913742.db2.gz PJPGIHQHLCUIMQ-INIZCTEOSA-N 2 1 339.443 2.285 10 30 EEEEMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484159299 1191247615 /nfs/dbraw/zinc/24/76/15/1191247615.db2.gz RULJFHYCKJOONA-AEFFLSMTSA-N 2 1 339.911 2.299 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484159299 1191247617 /nfs/dbraw/zinc/24/76/17/1191247617.db2.gz RULJFHYCKJOONA-AEFFLSMTSA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185844 1193726642 /nfs/dbraw/zinc/72/66/42/1193726642.db2.gz DQWJSLCDRCJJJO-HKUYNNGSSA-N 2 1 331.504 2.267 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000872239541 1198106203 /nfs/dbraw/zinc/10/62/03/1198106203.db2.gz RDPWFWICSOANLX-YADHBBJMSA-N 2 1 347.462 2.252 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000872239541 1198106209 /nfs/dbraw/zinc/10/62/09/1198106209.db2.gz RDPWFWICSOANLX-YADHBBJMSA-N 2 1 347.462 2.252 10 30 EEEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001411241655 1198958722 /nfs/dbraw/zinc/95/87/22/1198958722.db2.gz YYUPCJPKSIFAGW-CQSZACIVSA-N 2 1 327.900 2.440 10 30 EEEEMP C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000876443930 1199631635 /nfs/dbraw/zinc/63/16/35/1199631635.db2.gz VHLFVVQUEJFADE-FHWLQOOXSA-N 2 1 348.535 2.236 10 30 EEEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001274960614 1205217629 /nfs/dbraw/zinc/21/76/29/1205217629.db2.gz RDUFPGWNSUTELX-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001274960614 1205217631 /nfs/dbraw/zinc/21/76/31/1205217631.db2.gz RDUFPGWNSUTELX-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001274960614 1205217638 /nfs/dbraw/zinc/21/76/38/1205217638.db2.gz RDUFPGWNSUTELX-MOPGFXCFSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001275849668 1205564975 /nfs/dbraw/zinc/56/49/75/1205564975.db2.gz HPURQRQWYVZQFF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001275849668 1205564976 /nfs/dbraw/zinc/56/49/76/1205564976.db2.gz HPURQRQWYVZQFF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001275849668 1205564977 /nfs/dbraw/zinc/56/49/77/1205564977.db2.gz HPURQRQWYVZQFF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001275849668 1205564978 /nfs/dbraw/zinc/56/49/78/1205564978.db2.gz HPURQRQWYVZQFF-QUCCMNQESA-N 2 1 341.499 2.338 10 30 EEEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001276318421 1215696004 /nfs/dbraw/zinc/69/60/04/1215696004.db2.gz BQPCSLTYWXMUQM-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318421 1215696005 /nfs/dbraw/zinc/69/60/05/1215696005.db2.gz BQPCSLTYWXMUQM-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001276318421 1215696007 /nfs/dbraw/zinc/69/60/07/1215696007.db2.gz BQPCSLTYWXMUQM-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001490360399 1291299260 /nfs/dbraw/zinc/29/92/60/1291299260.db2.gz CIIPTNNLTKWOBT-UHFFFAOYSA-N 2 1 346.450 2.121 10 30 EEEEMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863865 1292219313 /nfs/dbraw/zinc/21/93/13/1292219313.db2.gz SNLXQKYARCXTNU-PKOBYXMFSA-N 2 1 331.504 2.102 10 30 EEEEMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852886958 1292225086 /nfs/dbraw/zinc/22/50/86/1292225086.db2.gz ALBVFIYXEGECHY-XLIONFOSSA-N 2 1 339.483 2.016 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278425627 1310208426 /nfs/dbraw/zinc/20/84/26/1310208426.db2.gz BZBSTKZIFIXTSW-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001278425627 1310208435 /nfs/dbraw/zinc/20/84/35/1310208435.db2.gz BZBSTKZIFIXTSW-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278425627 1310208445 /nfs/dbraw/zinc/20/84/45/1310208445.db2.gz BZBSTKZIFIXTSW-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001278425627 1310208454 /nfs/dbraw/zinc/20/84/54/1310208454.db2.gz BZBSTKZIFIXTSW-HXUWFJFHSA-N 2 1 329.488 2.318 10 30 EEEEMP C#CCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432289 1315914182 /nfs/dbraw/zinc/91/41/82/1315914182.db2.gz UVRLXVFWJXPNJT-UHFFFAOYSA-N 2 1 328.456 2.385 10 30 EEEEMP C#CCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432289 1315914184 /nfs/dbraw/zinc/91/41/84/1315914184.db2.gz UVRLXVFWJXPNJT-UHFFFAOYSA-N 2 1 328.456 2.385 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001264120876 1322633429 /nfs/dbraw/zinc/63/34/29/1322633429.db2.gz SOTOPVWPGDEABI-MOPGFXCFSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001264448043 1322703448 /nfs/dbraw/zinc/70/34/48/1322703448.db2.gz QDBQRSBSFQMKFJ-VQTJNVASSA-N 2 1 341.499 2.326 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265396967 1323127410 /nfs/dbraw/zinc/12/74/10/1323127410.db2.gz PATLAGAAZMVAQM-QGZVFWFLSA-N 2 1 330.476 2.200 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265396967 1323127421 /nfs/dbraw/zinc/12/74/21/1323127421.db2.gz PATLAGAAZMVAQM-QGZVFWFLSA-N 2 1 330.476 2.200 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001265558313 1323219512 /nfs/dbraw/zinc/21/95/12/1323219512.db2.gz UYHZBIFUHWQNKM-RVKKMQEKSA-N 2 1 325.472 2.402 10 30 EEEEMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824039 1323402701 /nfs/dbraw/zinc/40/27/01/1323402701.db2.gz OTLWTQKKRTXPFU-HZPDHXFCSA-N 2 1 347.890 2.128 10 30 EEEEMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001265823262 1323402735 /nfs/dbraw/zinc/40/27/35/1323402735.db2.gz FUSJWYWUFKSNPU-KRWDZBQOSA-N 2 1 329.488 2.110 10 30 EEEEMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852218 1323425876 /nfs/dbraw/zinc/42/58/76/1323425876.db2.gz XVFHXWCQOYTMMT-CVEARBPZSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001279273883 1323862131 /nfs/dbraw/zinc/86/21/31/1323862131.db2.gz WHEDZVAVPQEQGQ-GUDVDZBRSA-N 2 1 333.520 2.254 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001279710388 1323983883 /nfs/dbraw/zinc/98/38/83/1323983883.db2.gz RBEACDNYQSIFBT-GOSISDBHSA-N 2 1 345.462 2.429 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280332844 1324159115 /nfs/dbraw/zinc/15/91/15/1324159115.db2.gz BHNZDTIKWCBSJA-QGZVFWFLSA-N 2 1 327.472 2.100 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001280332844 1324159119 /nfs/dbraw/zinc/15/91/19/1324159119.db2.gz BHNZDTIKWCBSJA-QGZVFWFLSA-N 2 1 327.472 2.100 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001280332844 1324159121 /nfs/dbraw/zinc/15/91/21/1324159121.db2.gz BHNZDTIKWCBSJA-QGZVFWFLSA-N 2 1 327.472 2.100 10 30 EEEEMP C=CCC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC001280521314 1324273252 /nfs/dbraw/zinc/27/32/52/1324273252.db2.gz INIQGDYZPLIBPM-UHFFFAOYSA-N 2 1 325.416 2.086 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001281845314 1325485233 /nfs/dbraw/zinc/48/52/33/1325485233.db2.gz XFFRGMOIXWVINO-UHFFFAOYSA-N 2 1 333.520 2.446 10 30 EEEEMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831781 1325799807 /nfs/dbraw/zinc/79/98/07/1325799807.db2.gz CKWAREBZBGVZPU-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282831781 1325799810 /nfs/dbraw/zinc/79/98/10/1325799810.db2.gz CKWAREBZBGVZPU-MSOLQXFVSA-N 2 1 333.520 2.347 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683247 1330204711 /nfs/dbraw/zinc/20/47/11/1330204711.db2.gz RDDNCHGUEBXMLF-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128834 1330982116 /nfs/dbraw/zinc/98/21/16/1330982116.db2.gz GNDFGXZPIDWYAX-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001316844475 1331929702 /nfs/dbraw/zinc/92/97/02/1331929702.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317157494 1332104318 /nfs/dbraw/zinc/10/43/18/1332104318.db2.gz JBXHWSGPKIFJDH-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001317190216 1332123461 /nfs/dbraw/zinc/12/34/61/1332123461.db2.gz OAUTUTUHFUDVDX-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001317190216 1332123462 /nfs/dbraw/zinc/12/34/62/1332123462.db2.gz OAUTUTUHFUDVDX-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC1 ZINC001318698081 1332579665 /nfs/dbraw/zinc/57/96/65/1332579665.db2.gz GSEXEFSEEIUNDQ-HNAYVOBHSA-N 2 1 330.476 2.294 10 30 EEEEMP C=CCCCCC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001319307514 1332679460 /nfs/dbraw/zinc/67/94/60/1332679460.db2.gz HTIWPESELAPBHU-SFHVURJKSA-N 2 1 349.519 2.178 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001322221782 1333231512 /nfs/dbraw/zinc/23/15/12/1333231512.db2.gz BLXPTQPTVSYBOH-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001322221782 1333231517 /nfs/dbraw/zinc/23/15/17/1333231517.db2.gz BLXPTQPTVSYBOH-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001322221782 1333231521 /nfs/dbraw/zinc/23/15/21/1333231521.db2.gz BLXPTQPTVSYBOH-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001322221782 1333231523 /nfs/dbraw/zinc/23/15/23/1333231523.db2.gz BLXPTQPTVSYBOH-MAUKXSAKSA-N 2 1 347.890 2.222 10 30 EEEEMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001322243367 1333234671 /nfs/dbraw/zinc/23/46/71/1333234671.db2.gz DVMKMERYEAMBSB-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001322243367 1333234675 /nfs/dbraw/zinc/23/46/75/1333234675.db2.gz DVMKMERYEAMBSB-QAPCUYQASA-N 2 1 349.906 2.468 10 30 EEEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001323066503 1333379538 /nfs/dbraw/zinc/37/95/38/1333379538.db2.gz YGGODHRSLREDJH-FUHWJXTLSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001323733307 1333526671 /nfs/dbraw/zinc/52/66/71/1333526671.db2.gz DYVXHWXTHOUWDR-QGZVFWFLSA-N 2 1 342.487 2.335 10 30 EEEEMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325051812 1333819374 /nfs/dbraw/zinc/81/93/74/1333819374.db2.gz RXHYAETWXBUYQK-OWCLPIDISA-N 2 1 343.462 2.366 10 30 EEEEMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325051812 1333819376 /nfs/dbraw/zinc/81/93/76/1333819376.db2.gz RXHYAETWXBUYQK-OWCLPIDISA-N 2 1 343.462 2.366 10 30 EEEEMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325051812 1333819377 /nfs/dbraw/zinc/81/93/77/1333819377.db2.gz RXHYAETWXBUYQK-OWCLPIDISA-N 2 1 343.462 2.366 10 30 EEEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001326350884 1334073938 /nfs/dbraw/zinc/07/39/38/1334073938.db2.gz SHXRDISYPUYVBR-IRXDYDNUSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001326603271 1334123285 /nfs/dbraw/zinc/12/32/85/1334123285.db2.gz JLWVTQMLDAPRIF-IBGZPJMESA-N 2 1 339.483 2.237 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001327359351 1334276242 /nfs/dbraw/zinc/27/62/42/1334276242.db2.gz NGULTGAGCWHWIQ-WMZOPIPTSA-N 2 1 349.519 2.175 10 30 EEEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001329845372 1334725669 /nfs/dbraw/zinc/72/56/69/1334725669.db2.gz DRQINBVDSGGLKX-MRXNPFEDSA-N 2 1 330.476 2.349 10 30 EEEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001330926084 1334928036 /nfs/dbraw/zinc/92/80/36/1334928036.db2.gz HIWNAXQXCPWBAG-SXLOBPIMSA-N 2 1 341.499 2.230 10 30 EEEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001332209150 1335767487 /nfs/dbraw/zinc/76/74/87/1335767487.db2.gz YQONAQVYMNCPKK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001332209150 1335767488 /nfs/dbraw/zinc/76/74/88/1335767488.db2.gz YQONAQVYMNCPKK-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221878 1335773499 /nfs/dbraw/zinc/77/34/99/1335773499.db2.gz PIHPVUNRYYQEEO-MOPGFXCFSA-N 2 1 329.488 2.364 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001502546149 1342208433 /nfs/dbraw/zinc/20/84/33/1342208433.db2.gz PGIXPTYLIJYQKN-QGZVFWFLSA-N 2 1 327.900 2.395 10 30 EEEEMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001506649689 1342303054 /nfs/dbraw/zinc/30/30/54/1342303054.db2.gz JQFAZCPJYZISAS-OAHLLOKOSA-N 2 1 347.890 2.080 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001566869739 1342642312 /nfs/dbraw/zinc/64/23/12/1342642312.db2.gz PMBGVEHQQXOTBK-ZWKOTPCHSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001566869739 1342642317 /nfs/dbraw/zinc/64/23/17/1342642317.db2.gz PMBGVEHQQXOTBK-ZWKOTPCHSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001566869739 1342642321 /nfs/dbraw/zinc/64/23/21/1342642321.db2.gz PMBGVEHQQXOTBK-ZWKOTPCHSA-N 2 1 339.524 2.116 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001566869739 1342642323 /nfs/dbraw/zinc/64/23/23/1342642323.db2.gz PMBGVEHQQXOTBK-ZWKOTPCHSA-N 2 1 339.524 2.116 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCCC)C2)C1 ZINC001569479042 1342882445 /nfs/dbraw/zinc/88/24/45/1342882445.db2.gz YPISSOAGJSINTP-AZUAARDMSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001569479042 1342882449 /nfs/dbraw/zinc/88/24/49/1342882449.db2.gz YPISSOAGJSINTP-AZUAARDMSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCCC)C2)C1 ZINC001569479042 1342882455 /nfs/dbraw/zinc/88/24/55/1342882455.db2.gz 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CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001676894619 1357236092 /nfs/dbraw/zinc/23/60/92/1357236092.db2.gz QKNLQPJLNXDMNB-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001676894619 1357236094 /nfs/dbraw/zinc/23/60/94/1357236094.db2.gz QKNLQPJLNXDMNB-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001676894619 1357236099 /nfs/dbraw/zinc/23/60/99/1357236099.db2.gz QKNLQPJLNXDMNB-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661577588 1354660902 /nfs/dbraw/zinc/66/09/02/1354660902.db2.gz NWSALLJWAODIRF-JZXOWHBKSA-N 2 1 345.874 2.023 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001664831105 1355238144 /nfs/dbraw/zinc/23/81/44/1355238144.db2.gz ZSTDBYDEWCRULF-DLBZAZTESA-N 2 1 330.476 2.110 10 30 EEEEMP 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VPVLYLCHRKDGAD-INIZCTEOSA-N 2 1 346.475 2.288 10 30 EEEEMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001502404745 1113669245 /nfs/dbraw/zinc/66/92/45/1113669245.db2.gz MQXNILBZZQCRQN-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404745 1113669246 /nfs/dbraw/zinc/66/92/46/1113669246.db2.gz MQXNILBZZQCRQN-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001502404745 1113669249 /nfs/dbraw/zinc/66/92/49/1113669249.db2.gz MQXNILBZZQCRQN-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001505990958 1114325430 /nfs/dbraw/zinc/32/54/30/1114325430.db2.gz LFSYJPPWJIFDOU-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001505990958 1114325434 /nfs/dbraw/zinc/32/54/34/1114325434.db2.gz LFSYJPPWJIFDOU-MRXNPFEDSA-N 2 1 349.906 2.470 10 30 EEEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001506986076 1115032897 /nfs/dbraw/zinc/03/28/97/1115032897.db2.gz YUBKHUXAZSOEOG-PKOBYXMFSA-N 2 1 333.520 2.395 10 30 EEEEMP C#CC[NH+]1CCC(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001568130286 1124319180 /nfs/dbraw/zinc/31/91/80/1124319180.db2.gz QZDQNBGKVZPGKU-IBGZPJMESA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001568438125 1124507138 /nfs/dbraw/zinc/50/71/38/1124507138.db2.gz UKYOSSVNQKQMCY-UHFFFAOYSA-N 2 1 345.531 2.446 10 30 EEEEMP C[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025592 463310221 /nfs/dbraw/zinc/31/02/21/463310221.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 1 328.460 2.348 10 30 EEEEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000174849554 464458412 /nfs/dbraw/zinc/45/84/12/464458412.db2.gz HEABAZOIWRMHSF-GOSISDBHSA-N 2 1 336.524 2.043 10 30 EEEEMP CC[N@@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000374892915 466759083 /nfs/dbraw/zinc/75/90/83/466759083.db2.gz IPNOPDDVDBYCGH-UHFFFAOYSA-N 2 1 340.471 2.145 10 30 EEEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000586789965 469066438 /nfs/dbraw/zinc/06/64/38/469066438.db2.gz VBUVVALOJFZADZ-FHWLQOOXSA-N 2 1 339.487 2.384 10 30 EEEEMP Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000596928093 469411073 /nfs/dbraw/zinc/41/10/73/469411073.db2.gz MOUPNYPBBOYZEX-HNNXBMFYSA-N 2 1 331.464 2.260 10 30 EEEEMP Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596928093 469411074 /nfs/dbraw/zinc/41/10/74/469411074.db2.gz MOUPNYPBBOYZEX-HNNXBMFYSA-N 2 1 331.464 2.260 10 30 EEEEMP C=CC[C@@]1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873275 472286265 /nfs/dbraw/zinc/28/62/65/472286265.db2.gz VQPIKXFWSKODRH-CTNGQTDRSA-N 2 1 341.499 2.460 10 30 EEEEMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000089062077 526389391 /nfs/dbraw/zinc/38/93/91/526389391.db2.gz OWASONRWMWHTQT-AWEZNQCLSA-N 2 1 335.521 2.442 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001272708079 1191971934 /nfs/dbraw/zinc/97/19/34/1191971934.db2.gz KRVQYJVWOBFFIC-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001272708079 1191971936 /nfs/dbraw/zinc/97/19/36/1191971936.db2.gz KRVQYJVWOBFFIC-QFBILLFUSA-N 2 1 345.487 2.250 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001480874755 1176554863 /nfs/dbraw/zinc/55/48/63/1176554863.db2.gz LIGHWMAHLLCYJV-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001480874755 1176554868 /nfs/dbraw/zinc/55/48/68/1176554868.db2.gz LIGHWMAHLLCYJV-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001480874755 1176554874 /nfs/dbraw/zinc/55/48/74/1176554874.db2.gz LIGHWMAHLLCYJV-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001480874755 1176554879 /nfs/dbraw/zinc/55/48/79/1176554879.db2.gz LIGHWMAHLLCYJV-KSSFIOAISA-N 2 1 349.425 2.171 10 30 EEEEMP CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798341 1177450014 /nfs/dbraw/zinc/45/00/14/1177450014.db2.gz NAMHGCMATVVLCB-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001267201444 1178486610 /nfs/dbraw/zinc/48/66/10/1178486610.db2.gz OLCPJMSDYFUROX-RHSMWYFYSA-N 2 1 330.476 2.157 10 30 EEEEMP CCC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267316505 1178744542 /nfs/dbraw/zinc/74/45/42/1178744542.db2.gz RZJXNFJHZLGBCA-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267458706 1179046381 /nfs/dbraw/zinc/04/63/81/1179046381.db2.gz DMGBRHHHUVQLPX-SFHVURJKSA-N 2 1 342.487 2.098 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547493 1179330609 /nfs/dbraw/zinc/33/06/09/1179330609.db2.gz NKAKUMOBKDPHCU-ZWKOTPCHSA-N 2 1 342.487 2.090 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267547493 1179330613 /nfs/dbraw/zinc/33/06/13/1179330613.db2.gz NKAKUMOBKDPHCU-ZWKOTPCHSA-N 2 1 342.487 2.090 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267552529 1179343461 /nfs/dbraw/zinc/34/34/61/1179343461.db2.gz OKQAKUORBNLGDC-GOSISDBHSA-N 2 1 341.499 2.256 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001267714767 1180254016 /nfs/dbraw/zinc/25/40/16/1180254016.db2.gz PWWFZWGQVKIZMW-HXUWFJFHSA-N 2 1 339.483 2.209 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001267714767 1180254021 /nfs/dbraw/zinc/25/40/21/1180254021.db2.gz PWWFZWGQVKIZMW-HXUWFJFHSA-N 2 1 339.483 2.209 10 30 EEEEMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481504862 1181585093 /nfs/dbraw/zinc/58/50/93/1181585093.db2.gz OYLOHYPEYMVQRG-PMACEKPBSA-N 2 1 341.499 2.159 10 30 EEEEMP C=C(C)C[NH2+][C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001271904177 1186605046 /nfs/dbraw/zinc/60/50/46/1186605046.db2.gz YLTQFAGHQVUNNY-QGZVFWFLSA-N 2 1 334.464 2.191 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001670854818 1187507799 /nfs/dbraw/zinc/50/77/99/1187507799.db2.gz KUWAQWXSMDXBQD-HOCLYGCPSA-N 2 1 330.476 2.347 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCn3ccnc3)CC2)C1 ZINC001670918913 1193525971 /nfs/dbraw/zinc/52/59/71/1193525971.db2.gz NQAAQNRLFNDFSI-IBGZPJMESA-N 2 1 342.487 2.247 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001485887234 1193630206 /nfs/dbraw/zinc/63/02/06/1193630206.db2.gz VEOGJTYSZDSBJI-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001485887234 1193630207 /nfs/dbraw/zinc/63/02/07/1193630207.db2.gz VEOGJTYSZDSBJI-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483241457 1190271585 /nfs/dbraw/zinc/27/15/85/1190271585.db2.gz YUAQLQXVNGUUTH-YJBOKZPZSA-N 2 1 347.890 2.270 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001272670696 1191009795 /nfs/dbraw/zinc/00/97/95/1191009795.db2.gz XJADUWKWNCQHEQ-UHFFFAOYSA-N 2 1 339.483 2.244 10 30 EEEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001484138933 1191229972 /nfs/dbraw/zinc/22/99/72/1191229972.db2.gz SHLWHFOOJRFDTL-ZWKOTPCHSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001484143716 1191233263 /nfs/dbraw/zinc/23/32/63/1191233263.db2.gz OUEQOWHRMAICOT-ZWKOTPCHSA-N 2 1 331.504 2.245 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001486180244 1193717310 /nfs/dbraw/zinc/71/73/10/1193717310.db2.gz LECSDWKEZUOBID-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001486180244 1193717312 /nfs/dbraw/zinc/71/73/12/1193717312.db2.gz LECSDWKEZUOBID-RDTXWAMCSA-N 2 1 346.450 2.118 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901067 1199813026 /nfs/dbraw/zinc/81/30/26/1199813026.db2.gz XWSFBLHALAMHIP-UAGQMJEPSA-N 2 1 335.879 2.483 10 30 EEEEMP C=C(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000878451026 1200476818 /nfs/dbraw/zinc/47/68/18/1200476818.db2.gz DDXUFWVZZIGLNQ-GOSISDBHSA-N 2 1 337.414 2.382 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274845956 1205184978 /nfs/dbraw/zinc/18/49/78/1205184978.db2.gz CPDKZNNTUOZGJG-PMACEKPBSA-N 2 1 341.499 2.312 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274845956 1205184981 /nfs/dbraw/zinc/18/49/81/1205184981.db2.gz CPDKZNNTUOZGJG-PMACEKPBSA-N 2 1 341.499 2.312 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486903 1259136814 /nfs/dbraw/zinc/13/68/14/1259136814.db2.gz QYQRFERBBGELJG-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001490698142 1291629098 /nfs/dbraw/zinc/62/90/98/1291629098.db2.gz ALYKZUTXTARECA-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852857760 1292218250 /nfs/dbraw/zinc/21/82/50/1292218250.db2.gz FGBZSXBUBXCZEC-UHFFFAOYSA-N 2 1 327.472 2.146 10 30 EEEEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863863 1292218829 /nfs/dbraw/zinc/21/88/29/1292218829.db2.gz SNLXQKYARCXTNU-MJGOQNOKSA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676550 1310923473 /nfs/dbraw/zinc/92/34/73/1310923473.db2.gz ODSUQQBPNRKNBA-RBUKOAKNSA-N 2 1 348.535 2.284 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001248676550 1310923475 /nfs/dbraw/zinc/92/34/75/1310923475.db2.gz ODSUQQBPNRKNBA-RBUKOAKNSA-N 2 1 348.535 2.284 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001279034791 1319053313 /nfs/dbraw/zinc/05/33/13/1319053313.db2.gz OBMHUHINXNIBCN-SFHVURJKSA-N 2 1 329.488 2.262 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001279034791 1319053326 /nfs/dbraw/zinc/05/33/26/1319053326.db2.gz OBMHUHINXNIBCN-SFHVURJKSA-N 2 1 329.488 2.262 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308569 1323058274 /nfs/dbraw/zinc/05/82/74/1323058274.db2.gz VKLPIYSIMZGJQN-DOTOQJQBSA-N 2 1 339.443 2.426 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265308569 1323058282 /nfs/dbraw/zinc/05/82/82/1323058282.db2.gz VKLPIYSIMZGJQN-DOTOQJQBSA-N 2 1 339.443 2.426 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CCC(F)(F)F)C1CC1 ZINC001266142682 1323711671 /nfs/dbraw/zinc/71/16/71/1323711671.db2.gz FWXPUYXTWPAQJH-HNNXBMFYSA-N 2 1 345.409 2.007 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CCC(F)(F)F)C1CC1 ZINC001266142682 1323711679 /nfs/dbraw/zinc/71/16/79/1323711679.db2.gz FWXPUYXTWPAQJH-HNNXBMFYSA-N 2 1 345.409 2.007 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(F)(F)F)C1CC1 ZINC001266142682 1323711683 /nfs/dbraw/zinc/71/16/83/1323711683.db2.gz FWXPUYXTWPAQJH-HNNXBMFYSA-N 2 1 345.409 2.007 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(F)(F)F)C1CC1 ZINC001266142682 1323711687 /nfs/dbraw/zinc/71/16/87/1323711687.db2.gz FWXPUYXTWPAQJH-HNNXBMFYSA-N 2 1 345.409 2.007 10 30 EEEEMP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001284930747 1326781900 /nfs/dbraw/zinc/78/19/00/1326781900.db2.gz WQQPCQXWTVSEDU-LJQANCHMSA-N 2 1 340.471 2.147 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492177435 1331056794 /nfs/dbraw/zinc/05/67/94/1331056794.db2.gz GRCZKJTXDMTOOH-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316709853 1331858397 /nfs/dbraw/zinc/85/83/97/1331858397.db2.gz OMEIYIJGRTUDEI-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316709853 1331858404 /nfs/dbraw/zinc/85/84/04/1331858404.db2.gz OMEIYIJGRTUDEI-QUCCMNQESA-N 2 1 341.499 2.358 10 30 EEEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317087641 1332074171 /nfs/dbraw/zinc/07/41/71/1332074171.db2.gz OBPUHHXOZCFNFQ-ORQFMDKSSA-N 2 1 330.476 2.345 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317108600 1332083235 /nfs/dbraw/zinc/08/32/35/1332083235.db2.gz CBZLLUGBAUCOAK-ZCNNSNEGSA-N 2 1 339.483 2.148 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001317369200 1332198784 /nfs/dbraw/zinc/19/87/84/1332198784.db2.gz WOXLRZLXSWIYTK-VQTJNVASSA-N 2 1 339.483 2.085 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001317596783 1332316813 /nfs/dbraw/zinc/31/68/13/1332316813.db2.gz NOVQQTJFOQRURM-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001317596783 1332316815 /nfs/dbraw/zinc/31/68/15/1332316815.db2.gz NOVQQTJFOQRURM-UXHICEINSA-N 2 1 339.483 2.210 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001317773993 1332404668 /nfs/dbraw/zinc/40/46/68/1332404668.db2.gz VHVAANDDFUMUDP-IBGZPJMESA-N 2 1 331.504 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(CC)CC)C1 ZINC001317841027 1332427459 /nfs/dbraw/zinc/42/74/59/1332427459.db2.gz ZKVJALGLSYYLKS-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(CC)CC)C1 ZINC001317841027 1332427460 /nfs/dbraw/zinc/42/74/60/1332427460.db2.gz ZKVJALGLSYYLKS-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(CC)CC)C1 ZINC001317841027 1332427463 /nfs/dbraw/zinc/42/74/63/1332427463.db2.gz ZKVJALGLSYYLKS-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(CC)CC)C1 ZINC001317841027 1332427464 /nfs/dbraw/zinc/42/74/64/1332427464.db2.gz ZKVJALGLSYYLKS-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP C=CC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CCCCC1 ZINC001319658354 1332735942 /nfs/dbraw/zinc/73/59/42/1332735942.db2.gz YIVFQABUTIRPKX-QGZVFWFLSA-N 2 1 334.464 2.191 10 30 EEEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC2CC2)CC1 ZINC001324397530 1333674759 /nfs/dbraw/zinc/67/47/59/1333674759.db2.gz PSNCUTRBEZRWEH-RBUKOAKNSA-N 2 1 331.504 2.053 10 30 EEEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001324645194 1333729881 /nfs/dbraw/zinc/72/98/81/1333729881.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645194 1333729886 /nfs/dbraw/zinc/72/98/86/1333729886.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 2 1 325.472 2.356 10 30 EEEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001324645194 1333729892 /nfs/dbraw/zinc/72/98/92/1333729892.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 2 1 325.472 2.356 10 30 EEEEMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001328587514 1334484203 /nfs/dbraw/zinc/48/42/03/1334484203.db2.gz LDMROZCEUWWMFI-QZTJIDSGSA-N 2 1 342.487 2.107 10 30 EEEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826186 /nfs/dbraw/zinc/82/61/86/1334826186.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826190 /nfs/dbraw/zinc/82/61/90/1334826190.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826195 /nfs/dbraw/zinc/82/61/95/1334826195.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 2 1 337.483 2.069 10 30 EEEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332901431 1335927621 /nfs/dbraw/zinc/92/76/21/1335927621.db2.gz ZKNJADOWYKOFRR-QZTJIDSGSA-N 2 1 329.488 2.433 10 30 EEEEMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001351544131 1337824352 /nfs/dbraw/zinc/82/43/52/1337824352.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 2 1 346.523 2.050 10 30 EEEEMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001351544131 1337824357 /nfs/dbraw/zinc/82/43/57/1337824357.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 2 1 346.523 2.050 10 30 EEEEMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001351544131 1337824364 /nfs/dbraw/zinc/82/43/64/1337824364.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 2 1 346.523 2.050 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001669909707 1356237317 /nfs/dbraw/zinc/23/73/17/1356237317.db2.gz HWFHVBYJAUMURS-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001669909707 1356237322 /nfs/dbraw/zinc/23/73/22/1356237322.db2.gz HWFHVBYJAUMURS-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001436364071 1342053836 /nfs/dbraw/zinc/05/38/36/1342053836.db2.gz AACFYLHYIUPBEQ-WOVMCDHWSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001500388549 1342184797 /nfs/dbraw/zinc/18/47/97/1342184797.db2.gz PNKVVPNAKNPZER-LJQANCHMSA-N 2 1 339.443 2.285 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCCCC)C2)CC1 ZINC001567202247 1342711394 /nfs/dbraw/zinc/71/13/94/1342711394.db2.gz FDCOYROUKUWQTP-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001567746869 1342831963 /nfs/dbraw/zinc/83/19/63/1342831963.db2.gz OVHKVTVXABYNNO-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001567746869 1342831970 /nfs/dbraw/zinc/83/19/70/1342831970.db2.gz OVHKVTVXABYNNO-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001567746869 1342831974 /nfs/dbraw/zinc/83/19/74/1342831974.db2.gz OVHKVTVXABYNNO-LJQANCHMSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001570781503 1343115175 /nfs/dbraw/zinc/11/51/75/1343115175.db2.gz RKXJJYDLOZFTKP-MOPGFXCFSA-N 2 1 329.488 2.385 10 30 EEEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001677603028 1357369243 /nfs/dbraw/zinc/36/92/43/1357369243.db2.gz DWAFIFZCCBATCD-GOSISDBHSA-N 2 1 342.487 2.468 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001677603028 1357369245 /nfs/dbraw/zinc/36/92/45/1357369245.db2.gz DWAFIFZCCBATCD-GOSISDBHSA-N 2 1 342.487 2.468 10 30 EEEEMP C#C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001648563244 1353433991 /nfs/dbraw/zinc/43/39/91/1353433991.db2.gz FARHEXGSBRHYAC-HXUWFJFHSA-N 2 1 339.483 2.386 10 30 EEEEMP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001648563244 1353433993 /nfs/dbraw/zinc/43/39/93/1353433993.db2.gz FARHEXGSBRHYAC-HXUWFJFHSA-N 2 1 339.483 2.386 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C/CC)CC1 ZINC001656109126 1354202588 /nfs/dbraw/zinc/20/25/88/1354202588.db2.gz FRGXEPQRCZVMLX-GHOSXJJBSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001660468650 1354469515 /nfs/dbraw/zinc/46/95/15/1354469515.db2.gz ZCWYOBCTJYARLB-DLBZAZTESA-N 2 1 330.476 2.389 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001660468652 1354469551 /nfs/dbraw/zinc/46/95/51/1354469551.db2.gz ZCWYOBCTJYARLB-IRXDYDNUSA-N 2 1 330.476 2.389 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001661345973 1354629368 /nfs/dbraw/zinc/62/93/68/1354629368.db2.gz AQFLDRCVQIXKON-CVEARBPZSA-N 2 1 346.475 2.429 10 30 EEEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838941 1354860508 /nfs/dbraw/zinc/86/05/08/1354860508.db2.gz LYYLELABQIMIDO-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001662838941 1354860516 /nfs/dbraw/zinc/86/05/16/1354860516.db2.gz LYYLELABQIMIDO-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662838941 1354860523 /nfs/dbraw/zinc/86/05/23/1354860523.db2.gz LYYLELABQIMIDO-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662838941 1354860528 /nfs/dbraw/zinc/86/05/28/1354860528.db2.gz LYYLELABQIMIDO-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001667750555 1355805628 /nfs/dbraw/zinc/80/56/28/1355805628.db2.gz CWRBEELJLBWVGO-VQTJNVASSA-N 2 1 341.499 2.059 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001672530953 1356546911 /nfs/dbraw/zinc/54/69/11/1356546911.db2.gz OPFLSYJJADWMOB-UXHICEINSA-N 2 1 339.483 2.055 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CCC ZINC001672924802 1356616326 /nfs/dbraw/zinc/61/63/26/1356616326.db2.gz DMAMHYWREXIGGE-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CCC ZINC001672924802 1356616329 /nfs/dbraw/zinc/61/63/29/1356616329.db2.gz DMAMHYWREXIGGE-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CCC ZINC001672924802 1356616335 /nfs/dbraw/zinc/61/63/35/1356616335.db2.gz DMAMHYWREXIGGE-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CCC ZINC001672924802 1356616338 /nfs/dbraw/zinc/61/63/38/1356616338.db2.gz DMAMHYWREXIGGE-IBGZPJMESA-N 2 1 327.472 2.242 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001673407531 1356688685 /nfs/dbraw/zinc/68/86/85/1356688685.db2.gz SMARRHJDLGFJCG-FQEVSTJZSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001673407531 1356688687 /nfs/dbraw/zinc/68/86/87/1356688687.db2.gz SMARRHJDLGFJCG-FQEVSTJZSA-N 2 1 341.499 2.349 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001673407531 1356688688 /nfs/dbraw/zinc/68/86/88/1356688688.db2.gz SMARRHJDLGFJCG-FQEVSTJZSA-N 2 1 341.499 2.349 10 30 EEEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001675233542 1356948116 /nfs/dbraw/zinc/94/81/16/1356948116.db2.gz ABZPXLKULGILAX-DLBZAZTESA-N 2 1 330.476 2.042 10 30 EEEEMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)O2 ZINC001687937695 1358684629 /nfs/dbraw/zinc/68/46/29/1358684629.db2.gz GBVSYRLSGAARAA-MSOLQXFVSA-N 2 1 349.519 2.175 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC/C=C/CC)CC1 ZINC001691839533 1404950721 /nfs/dbraw/zinc/95/07/21/1404950721.db2.gz OMHKTSDGFVHHCU-VGIQHARFSA-N 2 1 343.515 2.363 10 30 EEEEMP CC#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCC1 ZINC001698798303 1405073616 /nfs/dbraw/zinc/07/36/16/1405073616.db2.gz MPEJJEUUMOXRMI-INIZCTEOSA-N 2 1 330.476 2.439 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001698933404 1405171677 /nfs/dbraw/zinc/17/16/77/1405171677.db2.gz SKJYDVZNCQTLEC-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001699759490 1405469316 /nfs/dbraw/zinc/46/93/16/1405469316.db2.gz WZFGNAMJWQLBHH-LJQANCHMSA-N 2 1 329.488 2.318 10 30 EEEEMP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032273 790849302 /nfs/dbraw/zinc/84/93/02/790849302.db2.gz SLSNMVWZHDOIPB-GGPKGHCWSA-N 2 1 339.483 2.111 10 30 EEEEMP C#C[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000847032273 790849316 /nfs/dbraw/zinc/84/93/16/790849316.db2.gz SLSNMVWZHDOIPB-GGPKGHCWSA-N 2 1 339.483 2.111 10 30 EEEEMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001566075697 1125548411 /nfs/dbraw/zinc/54/84/11/1125548411.db2.gz VESMLFOZSSBSGI-SFHVURJKSA-N 2 1 337.508 2.036 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875730 1091803067 /nfs/dbraw/zinc/80/30/67/1091803067.db2.gz FPSHQGOJFKPVMH-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001445875730 1091803070 /nfs/dbraw/zinc/80/30/70/1091803070.db2.gz FPSHQGOJFKPVMH-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001445875730 1091803078 /nfs/dbraw/zinc/80/30/78/1091803078.db2.gz FPSHQGOJFKPVMH-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001439228008 1091872523 /nfs/dbraw/zinc/87/25/23/1091872523.db2.gz VBVBDUXFKXBNCW-UONOGXRCSA-N 2 1 346.313 2.110 10 30 EEEEMP CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C#N)CCC1)[NH+](C)C ZINC001440343937 1093493980 /nfs/dbraw/zinc/49/39/80/1093493980.db2.gz ZBUJEQYHMZIPQW-KRWDZBQOSA-N 2 1 346.450 2.166 10 30 EEEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001440825007 1094077208 /nfs/dbraw/zinc/07/72/08/1094077208.db2.gz BOXZLXMSUGUNCY-OLZOCXBDSA-N 2 1 333.823 2.116 10 30 EEEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001449416399 1094401956 /nfs/dbraw/zinc/40/19/56/1094401956.db2.gz JKAYUEVRYVHFNP-UHFFFAOYSA-N 2 1 339.842 2.380 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925021 1096109356 /nfs/dbraw/zinc/10/93/56/1096109356.db2.gz AWTQEVQSSIKOKC-INIZCTEOSA-N 2 1 348.516 2.288 10 30 EEEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480078653 1099623713 /nfs/dbraw/zinc/62/37/13/1099623713.db2.gz VRFNQOFIGCBZLL-OAHLLOKOSA-N 2 1 333.501 2.227 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480173600 1099753362 /nfs/dbraw/zinc/75/33/62/1099753362.db2.gz KTUJOLVGEMBPHF-IYARVYRRSA-N 2 1 347.890 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC(C)C)CC1 ZINC001495415154 1101134626 /nfs/dbraw/zinc/13/46/26/1101134626.db2.gz HEQBAQGRTIXFFL-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC(C)C)CC1 ZINC001495415154 1101134631 /nfs/dbraw/zinc/13/46/31/1101134631.db2.gz HEQBAQGRTIXFFL-IBGZPJMESA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001497200224 1102114156 /nfs/dbraw/zinc/11/41/56/1102114156.db2.gz ZCLKIGLEUFANEN-UONOGXRCSA-N 2 1 346.313 2.254 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001494136725 1103586007 /nfs/dbraw/zinc/58/60/07/1103586007.db2.gz GPNPGNSWWNYNPY-OAHLLOKOSA-N 2 1 333.501 2.227 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCCC(C)(C)C)C1CC1 ZINC001493377406 1108024731 /nfs/dbraw/zinc/02/47/31/1108024731.db2.gz OFNLSGFCESORPX-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCCC(C)(C)C)C1CC1 ZINC001493377406 1108024742 /nfs/dbraw/zinc/02/47/42/1108024742.db2.gz OFNLSGFCESORPX-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001493377406 1108024754 /nfs/dbraw/zinc/02/47/54/1108024754.db2.gz OFNLSGFCESORPX-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001493377406 1108024765 /nfs/dbraw/zinc/02/47/65/1108024765.db2.gz OFNLSGFCESORPX-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001506897920 1114958536 /nfs/dbraw/zinc/95/85/36/1114958536.db2.gz CSFUMWGSUZFLQC-JYJNAYRXSA-N 2 1 327.900 2.486 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001506934699 1114985680 /nfs/dbraw/zinc/98/56/80/1114985680.db2.gz XTPPMQFNRYPUKO-RDTXWAMCSA-N 2 1 346.450 2.166 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001567838619 1124136848 /nfs/dbraw/zinc/13/68/48/1124136848.db2.gz GPCOUGBGMLPFMB-WMLDXEAASA-N 2 1 330.476 2.157 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567941112 1124195632 /nfs/dbraw/zinc/19/56/32/1124195632.db2.gz SQXLKEKVYWVUHU-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568393376 1124463820 /nfs/dbraw/zinc/46/38/20/1124463820.db2.gz KRIMVNWVLVYSBU-VQIMIIECSA-N 2 1 337.483 2.193 10 30 EEEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001568437624 1124506223 /nfs/dbraw/zinc/50/62/23/1124506223.db2.gz BTZANNZUYLRXAE-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568437624 1124506232 /nfs/dbraw/zinc/50/62/32/1124506232.db2.gz BTZANNZUYLRXAE-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568437624 1124506240 /nfs/dbraw/zinc/50/62/40/1124506240.db2.gz BTZANNZUYLRXAE-RTBURBONSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001568513427 1124573515 /nfs/dbraw/zinc/57/35/15/1124573515.db2.gz LFLNOEMFPRBWGL-RBUKOAKNSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001568516353 1124581529 /nfs/dbraw/zinc/58/15/29/1124581529.db2.gz WHOXTYWYMMHZOI-MOPGFXCFSA-N 2 1 331.504 2.199 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539733 1124600530 /nfs/dbraw/zinc/60/05/30/1124600530.db2.gz FMRPRCKUAFOWDG-PMACEKPBSA-N 2 1 341.499 2.254 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245975871 160259247 /nfs/dbraw/zinc/25/92/47/160259247.db2.gz XBAJXWHUUPRHHI-OALUTQOASA-N 2 1 349.438 2.333 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245975871 160259249 /nfs/dbraw/zinc/25/92/49/160259249.db2.gz XBAJXWHUUPRHHI-OALUTQOASA-N 2 1 349.438 2.333 10 30 EEEEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cscc2C#N)CC1 ZINC000577597312 320264717 /nfs/dbraw/zinc/26/47/17/320264717.db2.gz GRSFLPCVSNAARP-UHFFFAOYSA-N 2 1 327.413 2.019 10 30 EEEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000155718285 462933361 /nfs/dbraw/zinc/93/33/61/462933361.db2.gz SDIZYLGTMWHIDD-GOSISDBHSA-N 2 1 336.524 2.447 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366795206 465939241 /nfs/dbraw/zinc/93/92/41/465939241.db2.gz NBDZIBBFRFRBAE-OALUTQOASA-N 2 1 343.446 2.032 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366795206 465939248 /nfs/dbraw/zinc/93/92/48/465939248.db2.gz NBDZIBBFRFRBAE-OALUTQOASA-N 2 1 343.446 2.032 10 30 EEEEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437212 468586373 /nfs/dbraw/zinc/58/63/73/468586373.db2.gz JFRXRYCHTFTACX-NJAFHUGGSA-N 2 1 328.460 2.349 10 30 EEEEMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000596163331 469181911 /nfs/dbraw/zinc/18/19/11/469181911.db2.gz KNGRAFKVRQSUIT-JKSUJKDBSA-N 2 1 345.491 2.190 10 30 EEEEMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000596163331 469181916 /nfs/dbraw/zinc/18/19/16/469181916.db2.gz KNGRAFKVRQSUIT-JKSUJKDBSA-N 2 1 345.491 2.190 10 30 EEEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262806439 688519334 /nfs/dbraw/zinc/51/93/34/688519334.db2.gz SSKBKVKIACXLSF-LJQANCHMSA-N 2 1 336.524 2.329 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001485789416 1191953327 /nfs/dbraw/zinc/95/33/27/1191953327.db2.gz IYAGVLVXNXDPIA-QGZVFWFLSA-N 2 1 346.475 2.028 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001266993821 1178052025 /nfs/dbraw/zinc/05/20/25/1178052025.db2.gz GCKQZBLZSOEFDR-HNNXBMFYSA-N 2 1 335.879 2.126 10 30 EEEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001267372343 1178877323 /nfs/dbraw/zinc/87/73/23/1178877323.db2.gz MQAJCFWUBKTKFO-GOSISDBHSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001267496210 1179177465 /nfs/dbraw/zinc/17/74/65/1179177465.db2.gz OYPIAFUGVDPXEK-IBGZPJMESA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001481342057 1181072968 /nfs/dbraw/zinc/07/29/68/1181072968.db2.gz CKEAQLDYECCSSH-QFBILLFUSA-N 2 1 327.472 2.139 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268769994 1183688203 /nfs/dbraw/zinc/68/82/03/1183688203.db2.gz FBUKJJIZKLCLJH-SJORKVTESA-N 2 1 330.476 2.294 10 30 EEEEMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001671045355 1193552999 /nfs/dbraw/zinc/55/29/99/1193552999.db2.gz TUZJMQPIHOVYLW-FQEVSTJZSA-N 2 1 331.504 2.200 10 30 EEEEMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001671054724 1193604591 /nfs/dbraw/zinc/60/45/91/1193604591.db2.gz CWAKKFISCUJNGY-UHFFFAOYSA-N 2 1 333.520 2.302 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483469815 1190491943 /nfs/dbraw/zinc/49/19/43/1190491943.db2.gz ZOIZIGDMEYXFGR-QGZVFWFLSA-N 2 1 348.516 2.432 10 30 EEEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001483583368 1190570375 /nfs/dbraw/zinc/57/03/75/1190570375.db2.gz LTRZMJBOXSFCTC-AEFFLSMTSA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 ZINC001483832856 1191069896 /nfs/dbraw/zinc/06/98/96/1191069896.db2.gz GHTQVMUBVKMRSB-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483832856 1191069898 /nfs/dbraw/zinc/06/98/98/1191069898.db2.gz GHTQVMUBVKMRSB-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001483832856 1191069900 /nfs/dbraw/zinc/06/99/00/1191069900.db2.gz GHTQVMUBVKMRSB-FQEVSTJZSA-N 2 1 342.487 2.310 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989071 1191144329 /nfs/dbraw/zinc/14/43/29/1191144329.db2.gz VVWMORXUUNKUPF-XBMUEBEBSA-N 2 1 345.531 2.301 10 30 EEEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483989011 1191144408 /nfs/dbraw/zinc/14/44/08/1191144408.db2.gz UBCKXLQVRWJMCI-ROUUACIJSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001484467361 1191371655 /nfs/dbraw/zinc/37/16/55/1191371655.db2.gz HFSQQINHCSOBHR-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001484467361 1191371657 /nfs/dbraw/zinc/37/16/57/1191371657.db2.gz HFSQQINHCSOBHR-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467361 1191371658 /nfs/dbraw/zinc/37/16/58/1191371658.db2.gz HFSQQINHCSOBHR-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467361 1191371660 /nfs/dbraw/zinc/37/16/60/1191371660.db2.gz HFSQQINHCSOBHR-VQTJNVASSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001484558383 1191414614 /nfs/dbraw/zinc/41/46/14/1191414614.db2.gz FIPFLDPNJCJGPU-LPHOPBHVSA-N 2 1 327.472 2.461 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC001484745594 1191496662 /nfs/dbraw/zinc/49/66/62/1191496662.db2.gz LRJDTJMXGJFWSS-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001484745594 1191496663 /nfs/dbraw/zinc/49/66/63/1191496663.db2.gz LRJDTJMXGJFWSS-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(F)cc1 ZINC001484745594 1191496664 /nfs/dbraw/zinc/49/66/64/1191496664.db2.gz LRJDTJMXGJFWSS-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(F)cc1 ZINC001484745594 1191496665 /nfs/dbraw/zinc/49/66/65/1191496665.db2.gz LRJDTJMXGJFWSS-IBGZPJMESA-N 2 1 345.462 2.204 10 30 EEEEMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001484822740 1191540830 /nfs/dbraw/zinc/54/08/30/1191540830.db2.gz HDCDZWVESVWJSJ-HXUWFJFHSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001484822740 1191540832 /nfs/dbraw/zinc/54/08/32/1191540832.db2.gz HDCDZWVESVWJSJ-HXUWFJFHSA-N 2 1 341.499 2.447 10 30 EEEEMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001484977225 1191604796 /nfs/dbraw/zinc/60/47/96/1191604796.db2.gz QOKSXXDHMKYZFQ-QFBILLFUSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019248 1194326386 /nfs/dbraw/zinc/32/63/86/1194326386.db2.gz TYHBXOBYEMDAHR-HUUCEWRRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001410380797 1197776859 /nfs/dbraw/zinc/77/68/59/1197776859.db2.gz MGPOAXPMOOZRPA-ZIAGYGMSSA-N 2 1 346.313 2.206 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001273427669 1198806677 /nfs/dbraw/zinc/80/66/77/1198806677.db2.gz LQESMJFXNYLZHG-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001273427669 1198806681 /nfs/dbraw/zinc/80/66/81/1198806681.db2.gz LQESMJFXNYLZHG-FQEVSTJZSA-N 2 1 341.499 2.339 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000931073862 1206604661 /nfs/dbraw/zinc/60/46/61/1206604661.db2.gz ALNYKIYFPQTBRE-LJQANCHMSA-N 2 1 343.471 2.039 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491487343 1259137869 /nfs/dbraw/zinc/13/78/69/1259137869.db2.gz ZQQGKDOIEZFZQU-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491487343 1259137871 /nfs/dbraw/zinc/13/78/71/1259137871.db2.gz ZQQGKDOIEZFZQU-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607333 1281076303 /nfs/dbraw/zinc/07/63/03/1281076303.db2.gz LWIQGQYXEMSHMD-RTBURBONSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[C@@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000862573867 1295886553 /nfs/dbraw/zinc/88/65/53/1295886553.db2.gz FWKUFGKLFIKGAR-QGZVFWFLSA-N 2 1 331.504 2.055 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277149124 1301517435 /nfs/dbraw/zinc/51/74/35/1301517435.db2.gz ZMUUDSKLWMJOBL-CRAIPNDOSA-N 2 1 328.460 2.027 10 30 EEEEMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001277866686 1304975206 /nfs/dbraw/zinc/97/52/06/1304975206.db2.gz XMPIGCDLTIGLKK-HXUWFJFHSA-N 2 1 339.483 2.103 10 30 EEEEMP C#CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185137 1306212400 /nfs/dbraw/zinc/21/24/00/1306212400.db2.gz YRAFSXXPKOTQOE-LJQANCHMSA-N 2 1 337.483 2.145 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516177 1317081011 /nfs/dbraw/zinc/08/10/11/1317081011.db2.gz OWXVSTVIPFWKFR-MSOLQXFVSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCCC)CC[C@@H]3C2)CC1 ZINC001264658252 1322768431 /nfs/dbraw/zinc/76/84/31/1322768431.db2.gz GAMPGCDPYKWGCK-UXHICEINSA-N 2 1 345.531 2.302 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001281722294 1325413536 /nfs/dbraw/zinc/41/35/36/1325413536.db2.gz RAFCGUJVNGEDAL-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001281722294 1325413540 /nfs/dbraw/zinc/41/35/40/1325413540.db2.gz RAFCGUJVNGEDAL-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957203 1325534948 /nfs/dbraw/zinc/53/49/48/1325534948.db2.gz PMTNMNIJKJCFNX-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001281957203 1325534955 /nfs/dbraw/zinc/53/49/55/1325534955.db2.gz PMTNMNIJKJCFNX-SJORKVTESA-N 2 1 330.476 2.253 10 30 EEEEMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191165 1325646652 /nfs/dbraw/zinc/64/66/52/1325646652.db2.gz GNUFXLIHRKYLLQ-QZTJIDSGSA-N 2 1 343.515 2.499 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C ZINC001282400823 1325709023 /nfs/dbraw/zinc/70/90/23/1325709023.db2.gz BIZVBFCHZVGIKY-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C ZINC001282400823 1325709026 /nfs/dbraw/zinc/70/90/26/1325709026.db2.gz BIZVBFCHZVGIKY-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC001282400823 1325709028 /nfs/dbraw/zinc/70/90/28/1325709028.db2.gz BIZVBFCHZVGIKY-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001282400823 1325709030 /nfs/dbraw/zinc/70/90/30/1325709030.db2.gz BIZVBFCHZVGIKY-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001283002003 1325876232 /nfs/dbraw/zinc/87/62/32/1325876232.db2.gz AHZVOMJBWNOROJ-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229373 1326467491 /nfs/dbraw/zinc/46/74/91/1326467491.db2.gz YIXADKHJWUCNNK-UXHICEINSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[NH+]1CCC(C2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)CC1 ZINC001284846553 1326742048 /nfs/dbraw/zinc/74/20/48/1326742048.db2.gz QGEBQBZPGHMBAK-IBGZPJMESA-N 2 1 349.494 2.193 10 30 EEEEMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccccc1Cl ZINC001316862256 1331692769 /nfs/dbraw/zinc/69/27/69/1331692769.db2.gz LQMZUIRSCUQYGD-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC001316862256 1331692771 /nfs/dbraw/zinc/69/27/71/1331692771.db2.gz LQMZUIRSCUQYGD-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC001316862256 1331692775 /nfs/dbraw/zinc/69/27/75/1331692775.db2.gz LQMZUIRSCUQYGD-UHFFFAOYSA-N 2 1 349.906 2.471 10 30 EEEEMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001316769132 1331882960 /nfs/dbraw/zinc/88/29/60/1331882960.db2.gz FUONZTICZCRXLH-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001316769132 1331882964 /nfs/dbraw/zinc/88/29/64/1331882964.db2.gz FUONZTICZCRXLH-IBGZPJMESA-N 2 1 327.472 2.112 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CCCC=C)C2)CC1 ZINC001317042556 1332056794 /nfs/dbraw/zinc/05/67/94/1332056794.db2.gz FXFDRXYSCIKPAA-LJQANCHMSA-N 2 1 345.531 2.468 10 30 EEEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139552 1332096020 /nfs/dbraw/zinc/09/60/20/1332096020.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139552 1332096021 /nfs/dbraw/zinc/09/60/21/1332096021.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139552 1332096023 /nfs/dbraw/zinc/09/60/23/1332096023.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317767889 1332402414 /nfs/dbraw/zinc/40/24/14/1332402414.db2.gz WRFNTTHMLWVDCM-HXUWFJFHSA-N 2 1 341.499 2.350 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317767889 1332402417 /nfs/dbraw/zinc/40/24/17/1332402417.db2.gz WRFNTTHMLWVDCM-HXUWFJFHSA-N 2 1 341.499 2.350 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603139 1332566361 /nfs/dbraw/zinc/56/63/61/1332566361.db2.gz OGUVTBZURNEXEU-FUHWJXTLSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318861387 1332613539 /nfs/dbraw/zinc/61/35/39/1332613539.db2.gz SGQYVORYQWDQPL-FQEVSTJZSA-N 2 1 341.499 2.360 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318861387 1332613540 /nfs/dbraw/zinc/61/35/40/1332613540.db2.gz SGQYVORYQWDQPL-FQEVSTJZSA-N 2 1 341.499 2.360 10 30 EEEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319776561 1332765366 /nfs/dbraw/zinc/76/53/66/1332765366.db2.gz BDSKNJPAVVMLAX-KRWDZBQOSA-N 2 1 330.476 2.391 10 30 EEEEMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414966 1332878684 /nfs/dbraw/zinc/87/86/84/1332878684.db2.gz NMSQTJYHQFQLGW-APWZRJJASA-N 2 1 342.487 2.415 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001322548774 1333281292 /nfs/dbraw/zinc/28/12/92/1333281292.db2.gz IRZKLIVBCMPHFW-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001322548774 1333281294 /nfs/dbraw/zinc/28/12/94/1333281294.db2.gz IRZKLIVBCMPHFW-SFHVURJKSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001324442357 1333685269 /nfs/dbraw/zinc/68/52/69/1333685269.db2.gz ZAWFWVKFPJRLDY-INIZCTEOSA-N 2 1 325.472 2.001 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001324518291 1333700456 /nfs/dbraw/zinc/70/04/56/1333700456.db2.gz RRAORVDBPUMOOL-IBGZPJMESA-N 2 1 327.472 2.016 10 30 EEEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC001324518291 1333700461 /nfs/dbraw/zinc/70/04/61/1333700461.db2.gz RRAORVDBPUMOOL-IBGZPJMESA-N 2 1 327.472 2.016 10 30 EEEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001328018834 1334379756 /nfs/dbraw/zinc/37/97/56/1334379756.db2.gz ZWZDRNYLXIIXHM-GOSISDBHSA-N 2 1 325.472 2.356 10 30 EEEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001329935916 1334743755 /nfs/dbraw/zinc/74/37/55/1334743755.db2.gz IDPFXEJVVDGVSV-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001330896716 1334922921 /nfs/dbraw/zinc/92/29/21/1334922921.db2.gz YQBBBNHXSPTEHN-APWZRJJASA-N 2 1 342.487 2.417 10 30 EEEEMP C=CC[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001332221879 1335773038 /nfs/dbraw/zinc/77/30/38/1335773038.db2.gz PIHPVUNRYYQEEO-OALUTQOASA-N 2 1 329.488 2.364 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001333456371 1336050687 /nfs/dbraw/zinc/05/06/87/1336050687.db2.gz CFMJXYVVOVTING-AATRIKPKSA-N 2 1 343.515 2.436 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1C ZINC001665803828 1355390581 /nfs/dbraw/zinc/39/05/81/1355390581.db2.gz DEJZXKGFXKBBBQ-OALUTQOASA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1C ZINC001665803828 1355390586 /nfs/dbraw/zinc/39/05/86/1355390586.db2.gz DEJZXKGFXKBBBQ-OALUTQOASA-N 2 1 327.472 2.077 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968341 1356445822 /nfs/dbraw/zinc/44/58/22/1356445822.db2.gz KJGZAGIPCJXITJ-HUUCEWRRSA-N 2 1 331.451 2.366 10 30 EEEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566740209 1342619563 /nfs/dbraw/zinc/61/95/63/1342619563.db2.gz SENMZSDOOIYPAW-MJGOQNOKSA-N 2 1 333.520 2.465 10 30 EEEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001566991886 1342675083 /nfs/dbraw/zinc/67/50/83/1342675083.db2.gz LANCSZQGAPAKCM-ACBHZAAOSA-N 2 1 327.472 2.330 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001567103197 1342694716 /nfs/dbraw/zinc/69/47/16/1342694716.db2.gz SWUSRSNFUJICGX-HNNXBMFYSA-N 2 1 332.448 2.041 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569451884 1342872184 /nfs/dbraw/zinc/87/21/84/1342872184.db2.gz LQUDYHIOSPPLLG-UHFFFAOYSA-N 2 1 345.531 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621791 1342910789 /nfs/dbraw/zinc/91/07/89/1342910789.db2.gz ITMBNCDMXMHRQU-AZUAARDMSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001676360958 1357140416 /nfs/dbraw/zinc/14/04/16/1357140416.db2.gz YAYJPIJPHZVAHR-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001676360958 1357140419 /nfs/dbraw/zinc/14/04/19/1357140419.db2.gz YAYJPIJPHZVAHR-HKUYNNGSSA-N 2 1 327.472 2.029 10 30 EEEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001676454727 1357152536 /nfs/dbraw/zinc/15/25/36/1357152536.db2.gz JDQWENWAPFLRTA-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001657101804 1354325502 /nfs/dbraw/zinc/32/55/02/1354325502.db2.gz HVFZKJXNWWWHBU-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101804 1354325507 /nfs/dbraw/zinc/32/55/07/1354325507.db2.gz HVFZKJXNWWWHBU-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101804 1354325508 /nfs/dbraw/zinc/32/55/08/1354325508.db2.gz HVFZKJXNWWWHBU-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001660464061 1354468615 /nfs/dbraw/zinc/46/86/15/1354468615.db2.gz JFCYSQWUOSZSGC-ZWKOTPCHSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001662635094 1354816465 /nfs/dbraw/zinc/81/64/65/1354816465.db2.gz IQMCQUGNUYQEJE-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001662635094 1354816470 /nfs/dbraw/zinc/81/64/70/1354816470.db2.gz IQMCQUGNUYQEJE-QAPCUYQASA-N 2 1 345.491 2.194 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C#N)C1 ZINC001664134337 1355098631 /nfs/dbraw/zinc/09/86/31/1355098631.db2.gz BKXFVBSZTDXCPQ-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001665686317 1355359869 /nfs/dbraw/zinc/35/98/69/1355359869.db2.gz HRYAIBOBMVOAAE-IBGZPJMESA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001665686317 1355359871 /nfs/dbraw/zinc/35/98/71/1355359871.db2.gz HRYAIBOBMVOAAE-IBGZPJMESA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665686317 1355359874 /nfs/dbraw/zinc/35/98/74/1355359874.db2.gz HRYAIBOBMVOAAE-IBGZPJMESA-N 2 1 345.462 2.050 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665686317 1355359878 /nfs/dbraw/zinc/35/98/78/1355359878.db2.gz HRYAIBOBMVOAAE-IBGZPJMESA-N 2 1 345.462 2.050 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001666218886 1355486754 /nfs/dbraw/zinc/48/67/54/1355486754.db2.gz GFNHWQRQLIJGHF-RTBURBONSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001667197192 1355669997 /nfs/dbraw/zinc/66/99/97/1355669997.db2.gz GXKPCRAIFQVMFN-SJORKVTESA-N 2 1 348.491 2.036 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001668091706 1355867681 /nfs/dbraw/zinc/86/76/81/1355867681.db2.gz AKTZJRHEMIFIFB-HKUYNNGSSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001668091706 1355867685 /nfs/dbraw/zinc/86/76/85/1355867685.db2.gz AKTZJRHEMIFIFB-HKUYNNGSSA-N 2 1 331.504 2.459 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001669931013 1356242571 /nfs/dbraw/zinc/24/25/71/1356242571.db2.gz VTVNWFCQLFMTPI-MRXNPFEDSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001671908123 1356436749 /nfs/dbraw/zinc/43/67/49/1356436749.db2.gz PDLLMJOBHIAHQE-ICSRJNTNSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC=C)C3)CC1 ZINC001672170476 1356472800 /nfs/dbraw/zinc/47/28/00/1356472800.db2.gz HDRCIYJPBWWIOS-IHPCNDPISA-N 2 1 343.515 2.267 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001672368935 1356510482 /nfs/dbraw/zinc/51/04/82/1356510482.db2.gz KHCULQDMOHNBRP-CADBVGFASA-N 2 1 333.520 2.252 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC=C)cc1 ZINC001672936671 1356618942 /nfs/dbraw/zinc/61/89/42/1356618942.db2.gz CDBXPULMNRTZBF-LPHOPBHVSA-N 2 1 325.456 2.237 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC=C)cc1 ZINC001672936671 1356618943 /nfs/dbraw/zinc/61/89/43/1356618943.db2.gz CDBXPULMNRTZBF-LPHOPBHVSA-N 2 1 325.456 2.237 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001672987154 1356626865 /nfs/dbraw/zinc/62/68/65/1356626865.db2.gz MBHGIRWZXSFGEQ-MKXGPGLRSA-N 2 1 331.504 2.291 10 30 EEEEMP C#CCC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001673764585 1356744208 /nfs/dbraw/zinc/74/42/08/1356744208.db2.gz AKVPLTHKWBZHQL-UHFFFAOYSA-N 2 1 325.456 2.126 10 30 EEEEMP C#CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001673764585 1356744210 /nfs/dbraw/zinc/74/42/10/1356744210.db2.gz AKVPLTHKWBZHQL-UHFFFAOYSA-N 2 1 325.456 2.126 10 30 EEEEMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001673764585 1356744213 /nfs/dbraw/zinc/74/42/13/1356744213.db2.gz AKVPLTHKWBZHQL-UHFFFAOYSA-N 2 1 325.456 2.126 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674499973 1356848678 /nfs/dbraw/zinc/84/86/78/1356848678.db2.gz TZWQYBBAGYFQIV-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674499973 1356848680 /nfs/dbraw/zinc/84/86/80/1356848680.db2.gz TZWQYBBAGYFQIV-RTBURBONSA-N 2 1 327.472 2.235 10 30 EEEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343064 1356967768 /nfs/dbraw/zinc/96/77/68/1356967768.db2.gz JDFZGKIIGLRZMW-KBXCAEBGSA-N 2 1 325.472 2.212 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001675926986 1357071773 /nfs/dbraw/zinc/07/17/73/1357071773.db2.gz YQBBBNHXSPTEHN-QFBILLFUSA-N 2 1 342.487 2.417 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033747 779750198 /nfs/dbraw/zinc/75/01/98/779750198.db2.gz ULKXMDIQQHLXRR-HIFRSBDPSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033747 779750200 /nfs/dbraw/zinc/75/02/00/779750200.db2.gz ULKXMDIQQHLXRR-HIFRSBDPSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033747 779750205 /nfs/dbraw/zinc/75/02/05/779750205.db2.gz ULKXMDIQQHLXRR-HIFRSBDPSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941033747 779750211 /nfs/dbraw/zinc/75/02/11/779750211.db2.gz ULKXMDIQQHLXRR-HIFRSBDPSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001443242483 1097712913 /nfs/dbraw/zinc/71/29/13/1097712913.db2.gz JCJLMROGDAKWJJ-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001443242483 1097712927 /nfs/dbraw/zinc/71/29/27/1097712927.db2.gz JCJLMROGDAKWJJ-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001443242483 1097712933 /nfs/dbraw/zinc/71/29/33/1097712933.db2.gz JCJLMROGDAKWJJ-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001480022031 1099503449 /nfs/dbraw/zinc/50/34/49/1099503449.db2.gz UTLJXGMGNNGDAL-MJGOQNOKSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189220 1099785999 /nfs/dbraw/zinc/78/59/99/1099785999.db2.gz LBOBKMRSRVJWMX-RTBURBONSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2C)C1 ZINC001480189220 1099786008 /nfs/dbraw/zinc/78/60/08/1099786008.db2.gz LBOBKMRSRVJWMX-RTBURBONSA-N 2 1 342.487 2.308 10 30 EEEEMP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001480382945 1100176815 /nfs/dbraw/zinc/17/68/15/1100176815.db2.gz MEOYSFMNGFEGSF-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382945 1100176821 /nfs/dbraw/zinc/17/68/21/1100176821.db2.gz MEOYSFMNGFEGSF-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480382945 1100176828 /nfs/dbraw/zinc/17/68/28/1100176828.db2.gz MEOYSFMNGFEGSF-QUCCMNQESA-N 2 1 341.499 2.011 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495779532 1101584355 /nfs/dbraw/zinc/58/43/55/1101584355.db2.gz QMZLYEQBWPHRAN-INIZCTEOSA-N 2 1 349.906 2.375 10 30 EEEEMP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001497216451 1102139187 /nfs/dbraw/zinc/13/91/87/1102139187.db2.gz RKMLKWFWYOMDAV-PKOBYXMFSA-N 2 1 327.472 2.007 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497252683 1102195099 /nfs/dbraw/zinc/19/50/99/1102195099.db2.gz AXGWRMGRIRNWCE-ILXRZTDVSA-N 2 1 348.516 2.334 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497830150 1103161736 /nfs/dbraw/zinc/16/17/36/1103161736.db2.gz WJTBEGHBZHVQAZ-OAHLLOKOSA-N 2 1 347.890 2.270 10 30 EEEEMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001499929715 1112544881 /nfs/dbraw/zinc/54/48/81/1112544881.db2.gz KPTMHHJWPMCNDY-ROUUACIJSA-N 2 1 337.508 2.033 10 30 EEEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001501173551 1113227983 /nfs/dbraw/zinc/22/79/83/1113227983.db2.gz HJAGCTDOACUEGA-REPLKXPHSA-N 2 1 331.504 2.245 10 30 EEEEMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001501181239 1113230968 /nfs/dbraw/zinc/23/09/68/1113230968.db2.gz FYOZLVBPJWTDGA-GUDVDZBRSA-N 2 1 333.520 2.396 10 30 EEEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001505788024 1114192676 /nfs/dbraw/zinc/19/26/76/1114192676.db2.gz FULKRUDBQZYUDK-UHFFFAOYSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507035725 1115072266 /nfs/dbraw/zinc/07/22/66/1115072266.db2.gz LDOPKQVEQIZRRJ-RTBURBONSA-N 2 1 327.472 2.139 10 30 EEEEMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001507328928 1115195078 /nfs/dbraw/zinc/19/50/78/1115195078.db2.gz YJSVKKKBALNQLV-IEBWSBKVSA-N 2 1 329.488 2.316 10 30 EEEEMP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001507389863 1115247273 /nfs/dbraw/zinc/24/72/73/1115247273.db2.gz PPORDAJPJZODNA-VQTJNVASSA-N 2 1 341.499 2.200 10 30 EEEEMP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001507444069 1115272542 /nfs/dbraw/zinc/27/25/42/1115272542.db2.gz VIUZLBWFPULBHD-SFHVURJKSA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC001508235946 1115456806 /nfs/dbraw/zinc/45/68/06/1115456806.db2.gz ODVRIVPNYRXLEQ-SFHVURJKSA-N 2 1 331.435 2.039 10 30 EEEEMP C=C(C[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC001543302666 1124127202 /nfs/dbraw/zinc/12/72/02/1124127202.db2.gz NFZRMUQZBWUODE-SFHVURJKSA-N 2 1 330.476 2.012 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001568640853 1124654069 /nfs/dbraw/zinc/65/40/69/1124654069.db2.gz QPPMYLQKPFNQAR-AWEZNQCLSA-N 2 1 346.450 2.166 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001568858433 1124881194 /nfs/dbraw/zinc/88/11/94/1124881194.db2.gz NEEGIFCKXYXGNG-PXDRNWIDSA-N 2 1 339.483 2.175 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001569087962 1125089506 /nfs/dbraw/zinc/08/95/06/1125089506.db2.gz HTMXMKKJZDNVBN-CABCVRRESA-N 2 1 327.432 2.330 10 30 EEEEMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000178750656 463962816 /nfs/dbraw/zinc/96/28/16/463962816.db2.gz YTSLMUYRVDEECI-AWEZNQCLSA-N 2 1 329.429 2.228 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439154 468588135 /nfs/dbraw/zinc/58/81/35/468588135.db2.gz SUPOOBAHHYEGCI-RTBURBONSA-N 2 1 342.487 2.078 10 30 EEEEMP CC(C)(CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594440636 468589394 /nfs/dbraw/zinc/58/93/94/468589394.db2.gz HGBKOJXRUYYJNO-GOSISDBHSA-N 2 1 342.487 2.351 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)c2ccccc2n1 ZINC000596360168 469249641 /nfs/dbraw/zinc/24/96/41/469249641.db2.gz IATWTAVDHCCICX-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)c2ccccc2n1 ZINC000596360168 469249646 /nfs/dbraw/zinc/24/96/46/469249646.db2.gz IATWTAVDHCCICX-HNNXBMFYSA-N 2 1 325.460 2.790 10 30 EEEEMP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799703 471224691 /nfs/dbraw/zinc/22/46/91/471224691.db2.gz FSMOIRFUEXXNHV-AZUAARDMSA-N 2 1 327.472 2.323 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001485658884 1191879330 /nfs/dbraw/zinc/87/93/30/1191879330.db2.gz ZRLHHDZVNHTYRZ-OTWHNJEPSA-N 2 1 331.504 2.102 10 30 EEEEMP CC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[NH+]1CCCC1 ZINC001691052514 1177457973 /nfs/dbraw/zinc/45/79/73/1177457973.db2.gz SHFUZAHXERXCFT-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP CC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)C[NH+]1CCCC1 ZINC001691052514 1177457980 /nfs/dbraw/zinc/45/79/80/1177457980.db2.gz SHFUZAHXERXCFT-UHFFFAOYSA-N 2 1 347.890 2.225 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001691112512 1177602260 /nfs/dbraw/zinc/60/22/60/1177602260.db2.gz HJAJIXXDNTVNFY-GOSISDBHSA-N 2 1 337.483 2.052 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001267186305 1178452329 /nfs/dbraw/zinc/45/23/29/1178452329.db2.gz ZLQNQAJVEUBCPF-JKSUJKDBSA-N 2 1 330.476 2.247 10 30 EEEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267618054 1179952022 /nfs/dbraw/zinc/95/20/22/1179952022.db2.gz ORDOPZRLKJEWTM-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267618054 1179952025 /nfs/dbraw/zinc/95/20/25/1179952025.db2.gz ORDOPZRLKJEWTM-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267618054 1179952028 /nfs/dbraw/zinc/95/20/28/1179952028.db2.gz ORDOPZRLKJEWTM-QZTJIDSGSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001481491258 1181556574 /nfs/dbraw/zinc/55/65/74/1181556574.db2.gz MJBVUHBINDLSSW-IRXDYDNUSA-N 2 1 330.476 2.192 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481528756 1181654322 /nfs/dbraw/zinc/65/43/22/1181654322.db2.gz DFMUUSWZOFWHLP-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1 ZINC001481999836 1183112604 /nfs/dbraw/zinc/11/26/04/1183112604.db2.gz XGQZYDAYCSLMDS-AEFFLSMTSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1 ZINC001481999836 1183112606 /nfs/dbraw/zinc/11/26/06/1183112606.db2.gz XGQZYDAYCSLMDS-AEFFLSMTSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC1CCCC1 ZINC001482296116 1185162216 /nfs/dbraw/zinc/16/22/16/1185162216.db2.gz HOGXFHFWJNBZML-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC1CCCC1 ZINC001482296116 1185162222 /nfs/dbraw/zinc/16/22/22/1185162222.db2.gz HOGXFHFWJNBZML-MJGOQNOKSA-N 2 1 333.520 2.491 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370221 1185535963 /nfs/dbraw/zinc/53/59/63/1185535963.db2.gz TUANJMPCBPEDLB-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054399 1187291942 /nfs/dbraw/zinc/29/19/42/1187291942.db2.gz VJICAJCYEDCKNN-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054399 1187291947 /nfs/dbraw/zinc/29/19/47/1187291947.db2.gz VJICAJCYEDCKNN-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001272054399 1187291951 /nfs/dbraw/zinc/29/19/51/1187291951.db2.gz VJICAJCYEDCKNN-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272054399 1187291960 /nfs/dbraw/zinc/29/19/60/1187291960.db2.gz VJICAJCYEDCKNN-WOJBJXKFSA-N 2 1 339.483 2.207 10 30 EEEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001272227181 1188432775 /nfs/dbraw/zinc/43/27/75/1188432775.db2.gz UFJGBGSYNYIYJG-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001272227182 1188432823 /nfs/dbraw/zinc/43/28/23/1188432823.db2.gz UFJGBGSYNYIYJG-RTBURBONSA-N 2 1 331.504 2.199 10 30 EEEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC001486089238 1193678324 /nfs/dbraw/zinc/67/83/24/1193678324.db2.gz PGYAPRULYHARAG-GDBMZVCRSA-N 2 1 332.448 2.039 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001483443385 1190482248 /nfs/dbraw/zinc/48/22/48/1190482248.db2.gz QADLBUYYBDTYIY-DLBZAZTESA-N 2 1 330.476 2.294 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987669 1191143659 /nfs/dbraw/zinc/14/36/59/1191143659.db2.gz ZEWPQGDMEGCBOW-GOSISDBHSA-N 2 1 331.504 2.221 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CCCC1 ZINC001484009326 1191153412 /nfs/dbraw/zinc/15/34/12/1191153412.db2.gz NDBHTHYJXUJXNC-HKUYNNGSSA-N 2 1 342.487 2.042 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001484467359 1191371811 /nfs/dbraw/zinc/37/18/11/1191371811.db2.gz HFSQQINHCSOBHR-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001484467359 1191371813 /nfs/dbraw/zinc/37/18/13/1191371813.db2.gz HFSQQINHCSOBHR-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467359 1191371815 /nfs/dbraw/zinc/37/18/15/1191371815.db2.gz HFSQQINHCSOBHR-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001484467359 1191371817 /nfs/dbraw/zinc/37/18/17/1191371817.db2.gz HFSQQINHCSOBHR-PMACEKPBSA-N 2 1 339.483 2.207 10 30 EEEEMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001484715401 1191480128 /nfs/dbraw/zinc/48/01/28/1191480128.db2.gz OUEDKMOKIAEMEA-LSDHHAIUSA-N 2 1 333.879 2.390 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484716497 1191480509 /nfs/dbraw/zinc/48/05/09/1191480509.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484716497 1191480511 /nfs/dbraw/zinc/48/05/11/1191480511.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484716497 1191480513 /nfs/dbraw/zinc/48/05/13/1191480513.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCF)CC1 ZINC001484716497 1191480514 /nfs/dbraw/zinc/48/05/14/1191480514.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCF)CC1 ZINC001484716497 1191480516 /nfs/dbraw/zinc/48/05/16/1191480516.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 1 337.483 2.195 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987628 1191603549 /nfs/dbraw/zinc/60/35/49/1191603549.db2.gz DJXGHRPBRGOQQB-GJZGRUSLSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987628 1191603551 /nfs/dbraw/zinc/60/35/51/1191603551.db2.gz DJXGHRPBRGOQQB-GJZGRUSLSA-N 2 1 348.516 2.429 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987628 1191603553 /nfs/dbraw/zinc/60/35/53/1191603553.db2.gz DJXGHRPBRGOQQB-GJZGRUSLSA-N 2 1 348.516 2.429 10 30 EEEEMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485483847 1191799894 /nfs/dbraw/zinc/79/98/94/1191799894.db2.gz COCMHPNVATYKGU-HZPDHXFCSA-N 2 1 327.900 2.442 10 30 EEEEMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 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341.499 2.455 10 30 EEEEMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001317865806 1332436303 /nfs/dbraw/zinc/43/63/03/1332436303.db2.gz YQRQUNCWJMMYJQ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001317865806 1332436304 /nfs/dbraw/zinc/43/63/04/1332436304.db2.gz YQRQUNCWJMMYJQ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001317865806 1332436307 /nfs/dbraw/zinc/43/63/07/1332436307.db2.gz YQRQUNCWJMMYJQ-HXUWFJFHSA-N 2 1 341.499 2.455 10 30 EEEEMP C#CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001317876664 1332439356 /nfs/dbraw/zinc/43/93/56/1332439356.db2.gz LKDFYKUUCZHRGI-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317876664 1332439358 /nfs/dbraw/zinc/43/93/58/1332439358.db2.gz LKDFYKUUCZHRGI-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317876664 1332439360 /nfs/dbraw/zinc/43/93/60/1332439360.db2.gz LKDFYKUUCZHRGI-UHFFFAOYSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC001318538723 1332557177 /nfs/dbraw/zinc/55/71/77/1332557177.db2.gz WUABEZXCZIUXES-ROUUACIJSA-N 2 1 347.890 2.422 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC001318538723 1332557178 /nfs/dbraw/zinc/55/71/78/1332557178.db2.gz WUABEZXCZIUXES-ROUUACIJSA-N 2 1 347.890 2.422 10 30 EEEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001319824892 1332777611 /nfs/dbraw/zinc/77/76/11/1332777611.db2.gz JCNZPULNRKXHST-HOTGVXAUSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325052970 1333819052 /nfs/dbraw/zinc/81/90/52/1333819052.db2.gz DMVSOVMNFYNJEC-MRXNPFEDSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001325617546 1333924919 /nfs/dbraw/zinc/92/49/19/1333924919.db2.gz MENZRPQIIWBQGS-BCDXTJNWSA-N 2 1 331.504 2.243 10 30 EEEEMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001325897964 1333987843 /nfs/dbraw/zinc/98/78/43/1333987843.db2.gz HKCIBVBAYHDHBE-OTWHNJEPSA-N 2 1 349.519 2.129 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915067 1333992904 /nfs/dbraw/zinc/99/29/04/1333992904.db2.gz CFWUXWZRNLTEJC-RTBURBONSA-N 2 1 331.504 2.341 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001326747633 1334153688 /nfs/dbraw/zinc/15/36/88/1334153688.db2.gz BIKIDMGIHUMIDV-QZTJIDSGSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001326889074 1334177023 /nfs/dbraw/zinc/17/70/23/1334177023.db2.gz FYMRMGYUSNLWSA-SFHVURJKSA-N 2 1 325.472 2.404 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001330171248 1334793909 /nfs/dbraw/zinc/79/39/09/1334793909.db2.gz QYSANWSJQGBZMC-HXUWFJFHSA-N 2 1 349.519 2.132 10 30 EEEEMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001351862212 1337857927 /nfs/dbraw/zinc/85/79/27/1337857927.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001351862212 1337857930 /nfs/dbraw/zinc/85/79/30/1337857930.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001351862212 1337857931 /nfs/dbraw/zinc/85/79/31/1337857931.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 2 1 346.523 2.192 10 30 EEEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001501424799 1342189831 /nfs/dbraw/zinc/18/98/31/1342189831.db2.gz JJQIALKWOOOMNH-FGTMMUONSA-N 2 1 331.504 2.360 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566905155 1342649452 /nfs/dbraw/zinc/64/94/52/1342649452.db2.gz NQGCXTIFFQKWKT-LPHOPBHVSA-N 2 1 337.483 2.050 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC=C(C)C)CC2)CC1 ZINC001676082159 1357102513 /nfs/dbraw/zinc/10/25/13/1357102513.db2.gz GBBNFNFTZZOEOC-UHFFFAOYSA-N 2 1 331.504 2.221 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001676838398 1357217768 /nfs/dbraw/zinc/21/77/68/1357217768.db2.gz SWZZESYCAVTZQV-KZNAEPCWSA-N 2 1 330.476 2.374 10 30 EEEEMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001661037975 1354578036 /nfs/dbraw/zinc/57/80/36/1354578036.db2.gz CSDHFSUGTGWXFO-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001661037975 1354578038 /nfs/dbraw/zinc/57/80/38/1354578038.db2.gz CSDHFSUGTGWXFO-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001661037975 1354578047 /nfs/dbraw/zinc/57/80/47/1354578047.db2.gz CSDHFSUGTGWXFO-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001661037975 1354578050 /nfs/dbraw/zinc/57/80/50/1354578050.db2.gz CSDHFSUGTGWXFO-LJQANCHMSA-N 2 1 345.462 2.100 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977032 1354732080 /nfs/dbraw/zinc/73/20/80/1354732080.db2.gz IWMBVIYYTVGGBX-ROUUACIJSA-N 2 1 331.504 2.197 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001663731240 1355023570 /nfs/dbraw/zinc/02/35/70/1355023570.db2.gz VSELLGPXMBXDTO-PXNSSMCTSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001663731240 1355023576 /nfs/dbraw/zinc/02/35/76/1355023576.db2.gz VSELLGPXMBXDTO-PXNSSMCTSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001663731240 1355023580 /nfs/dbraw/zinc/02/35/80/1355023580.db2.gz VSELLGPXMBXDTO-PXNSSMCTSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001663731240 1355023589 /nfs/dbraw/zinc/02/35/89/1355023589.db2.gz VSELLGPXMBXDTO-PXNSSMCTSA-N 2 1 339.483 2.426 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)C)CC1 ZINC001665433307 1355310429 /nfs/dbraw/zinc/31/04/29/1355310429.db2.gz YAQRAKRPTJWPRZ-OALUTQOASA-N 2 1 331.504 2.053 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001666926473 1355615705 /nfs/dbraw/zinc/61/57/05/1355615705.db2.gz AWBJMMPBFPAQDA-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001666926473 1355615708 /nfs/dbraw/zinc/61/57/08/1355615708.db2.gz AWBJMMPBFPAQDA-MJGOQNOKSA-N 2 1 327.472 2.029 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326215 1356501806 /nfs/dbraw/zinc/50/18/06/1356501806.db2.gz BAMNWZLWCVDGLZ-AZUAARDMSA-N 2 1 341.499 2.064 10 30 EEEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001672388788 1356513517 /nfs/dbraw/zinc/51/35/17/1356513517.db2.gz PRIMKYLWXHUDJP-LJQANCHMSA-N 2 1 327.472 2.111 10 30 EEEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001672863606 1356601683 /nfs/dbraw/zinc/60/16/83/1356601683.db2.gz PBWRWEJBYUTCCN-DLBZAZTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001674352728 1356823224 /nfs/dbraw/zinc/82/32/24/1356823224.db2.gz HWEFXCHIBCVPOG-QZTJIDSGSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001698723260 1405028092 /nfs/dbraw/zinc/02/80/92/1405028092.db2.gz PIIQEAWKDODXDP-RTBURBONSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001699687631 1405440683 /nfs/dbraw/zinc/44/06/83/1405440683.db2.gz IFPNDNMFUGFARZ-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001699687631 1405440685 /nfs/dbraw/zinc/44/06/85/1405440685.db2.gz IFPNDNMFUGFARZ-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001699687631 1405440688 /nfs/dbraw/zinc/44/06/88/1405440688.db2.gz IFPNDNMFUGFARZ-PMACEKPBSA-N 2 1 343.515 2.340 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800516 779305803 /nfs/dbraw/zinc/30/58/03/779305803.db2.gz BMBSZHZIWDBWOW-QZTJIDSGSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800516 779305808 /nfs/dbraw/zinc/30/58/08/779305808.db2.gz BMBSZHZIWDBWOW-QZTJIDSGSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800516 779305813 /nfs/dbraw/zinc/30/58/13/779305813.db2.gz BMBSZHZIWDBWOW-QZTJIDSGSA-N 2 1 331.504 2.243 10 30 EEEEMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385759 789481403 /nfs/dbraw/zinc/48/14/03/789481403.db2.gz HPHXWLBTAJIDMQ-RBUKOAKNSA-N 2 1 343.471 2.010 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001436846773 1088485929 /nfs/dbraw/zinc/48/59/29/1088485929.db2.gz VSSFUTRQLDLHJX-OAHLLOKOSA-N 2 1 348.516 2.242 10 30 EEEEMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001437011686 1088790818 /nfs/dbraw/zinc/79/08/18/1088790818.db2.gz RGCSYXBTCGQQDK-RTBURBONSA-N 2 1 342.487 2.227 10 30 EEEEMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163900 1089178959 /nfs/dbraw/zinc/17/89/59/1089178959.db2.gz KUGVPWHKTVBERW-PBHICJAKSA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001440500760 1093742791 /nfs/dbraw/zinc/74/27/91/1093742791.db2.gz XPBNUPOEMGLOMK-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001440500760 1093742797 /nfs/dbraw/zinc/74/27/97/1093742797.db2.gz XPBNUPOEMGLOMK-KDOFPFPSSA-N 2 1 346.450 2.118 10 30 EEEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001496359609 1100952616 /nfs/dbraw/zinc/95/26/16/1100952616.db2.gz RCUDRHQVPDXKKE-AZUAARDMSA-N 2 1 341.499 2.011 10 30 EEEEMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001496535839 1101135566 /nfs/dbraw/zinc/13/55/66/1101135566.db2.gz XAZCYWONJQEARA-MSOLQXFVSA-N 2 1 346.450 2.022 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001495480574 1101189611 /nfs/dbraw/zinc/18/96/11/1101189611.db2.gz YROBXSXRPWPRHA-BRSBDYLESA-N 2 1 337.508 2.079 10 30 EEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001495480574 1101189617 /nfs/dbraw/zinc/18/96/17/1101189617.db2.gz YROBXSXRPWPRHA-BRSBDYLESA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001497207754 1102128644 /nfs/dbraw/zinc/12/86/44/1102128644.db2.gz LKBOPIKQNPQLEI-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001497207754 1102128649 /nfs/dbraw/zinc/12/86/49/1102128649.db2.gz LKBOPIKQNPQLEI-LPHOPBHVSA-N 2 1 345.462 2.216 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001493255315 1107782895 /nfs/dbraw/zinc/78/28/95/1107782895.db2.gz RCGNUJQQGMMIIX-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP C=CC[N@H+](C)CCN(CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460034272 1110253864 /nfs/dbraw/zinc/25/38/64/1110253864.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 2 1 331.504 2.063 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460034272 1110253868 /nfs/dbraw/zinc/25/38/68/1110253868.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 2 1 331.504 2.063 10 30 EEEEMP C=CC[NH+](C)CCN(CC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460034272 1110253870 /nfs/dbraw/zinc/25/38/70/1110253870.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 2 1 331.504 2.063 10 30 EEEEMP C#CC[N@@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CCCCCC1 ZINC001499518950 1112336482 /nfs/dbraw/zinc/33/64/82/1112336482.db2.gz JOMZCAYOZXPXPA-UHFFFAOYSA-N 2 1 346.475 2.124 10 30 EEEEMP C#CC[N@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CCCCCC1 ZINC001499518950 1112336486 /nfs/dbraw/zinc/33/64/86/1112336486.db2.gz JOMZCAYOZXPXPA-UHFFFAOYSA-N 2 1 346.475 2.124 10 30 EEEEMP C#CCN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC[NH+](CCC2CC2)CC1 ZINC001500057552 1112596490 /nfs/dbraw/zinc/59/64/90/1112596490.db2.gz JLJGPGTVNLZNAS-NRFANRHFSA-N 2 1 343.515 2.199 10 30 EEEEMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001502966454 1113863550 /nfs/dbraw/zinc/86/35/50/1113863550.db2.gz DGUBLQZQHIMJDO-UONOGXRCSA-N 2 1 334.489 2.041 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001505833246 1114221495 /nfs/dbraw/zinc/22/14/95/1114221495.db2.gz AHSNWDSZLWKEEM-IBGZPJMESA-N 2 1 339.499 2.296 10 30 EEEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001506477331 1114637160 /nfs/dbraw/zinc/63/71/60/1114637160.db2.gz BRWPNRMWSARWBM-IEBWSBKVSA-N 2 1 344.503 2.240 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001506855118 1114919214 /nfs/dbraw/zinc/91/92/14/1114919214.db2.gz HIWVGVAYUVGQNR-BZSNNMDCSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001506855118 1114919215 /nfs/dbraw/zinc/91/92/15/1114919215.db2.gz HIWVGVAYUVGQNR-BZSNNMDCSA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001506855118 1114919218 /nfs/dbraw/zinc/91/92/18/1114919218.db2.gz HIWVGVAYUVGQNR-BZSNNMDCSA-N 2 1 345.531 2.489 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001507152007 1115135926 /nfs/dbraw/zinc/13/59/26/1115135926.db2.gz LBWJFCDMWRWERL-GOSISDBHSA-N 2 1 329.488 2.207 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427838 1115263213 /nfs/dbraw/zinc/26/32/13/1115263213.db2.gz LSTYDAMPYNFUIS-LSDHHAIUSA-N 2 1 348.516 2.334 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001568513426 1124574132 /nfs/dbraw/zinc/57/41/32/1124574132.db2.gz LFLNOEMFPRBWGL-OALUTQOASA-N 2 1 345.531 2.445 10 30 EEEEMP CC[C@H](O)[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872649 465272205 /nfs/dbraw/zinc/27/22/05/465272205.db2.gz GIVPJINMCYAWSV-MUGJNUQGSA-N 2 1 336.520 2.241 10 30 EEEEMP CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@H]1CC[N@@H+](CCOC)C1 ZINC000072271835 463492129 /nfs/dbraw/zinc/49/21/29/463492129.db2.gz CHPYBNWEEVYJKO-PKOBYXMFSA-N 2 1 346.519 2.489 10 30 EEEEMP O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330072557 465524447 /nfs/dbraw/zinc/52/44/47/465524447.db2.gz ZEMIWYHVDAHHIX-KRWDZBQOSA-N 2 1 344.459 2.118 10 30 EEEEMP O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330072557 465524453 /nfs/dbraw/zinc/52/44/53/465524453.db2.gz ZEMIWYHVDAHHIX-KRWDZBQOSA-N 2 1 344.459 2.118 10 30 EEEEMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444094 468590254 /nfs/dbraw/zinc/59/02/54/468590254.db2.gz XPJHWPXCNZVXSM-QXAKKESOSA-N 2 1 342.487 2.424 10 30 EEEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ncccc2cc1C#N ZINC000596361063 469249878 /nfs/dbraw/zinc/24/98/78/469249878.db2.gz INBSAWMIEZGEJV-AWEZNQCLSA-N 2 1 326.448 2.185 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ncccc2cc1C#N ZINC000596361063 469249882 /nfs/dbraw/zinc/24/98/82/469249882.db2.gz INBSAWMIEZGEJV-AWEZNQCLSA-N 2 1 326.448 2.185 10 30 EEEEMP Cc1csc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596904113 469403410 /nfs/dbraw/zinc/40/34/10/469403410.db2.gz NPIVYAZSTJERGV-ZDUSSCGKSA-N 2 1 337.493 2.322 10 30 EEEEMP Cc1csc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596904113 469403413 /nfs/dbraw/zinc/40/34/13/469403413.db2.gz NPIVYAZSTJERGV-ZDUSSCGKSA-N 2 1 337.493 2.322 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741712294 578122770 /nfs/dbraw/zinc/12/27/70/578122770.db2.gz SVEYTYOJUJFZHG-XYJFISCASA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741712294 578122771 /nfs/dbraw/zinc/12/27/71/578122771.db2.gz SVEYTYOJUJFZHG-XYJFISCASA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000741712294 578122772 /nfs/dbraw/zinc/12/27/72/578122772.db2.gz SVEYTYOJUJFZHG-XYJFISCASA-N 2 1 345.512 2.345 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000741712294 578122773 /nfs/dbraw/zinc/12/27/73/578122773.db2.gz SVEYTYOJUJFZHG-XYJFISCASA-N 2 1 345.512 2.345 10 30 EEEEMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158340679 678393481 /nfs/dbraw/zinc/39/34/81/678393481.db2.gz SWJFDTAYBLBNOY-HEHGZKQESA-N 2 1 335.496 2.289 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485706317 1191899612 /nfs/dbraw/zinc/89/96/12/1191899612.db2.gz DJIRFBMDFVYUDZ-UAPYVXQJSA-N 2 1 345.462 2.002 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC=C)CC1 ZINC001272735471 1192409491 /nfs/dbraw/zinc/40/94/91/1192409491.db2.gz VLYHFQTWEPSHNU-FHWLQOOXSA-N 2 1 331.504 2.315 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC=C)CC1 ZINC001272735471 1192409494 /nfs/dbraw/zinc/40/94/94/1192409494.db2.gz VLYHFQTWEPSHNU-FHWLQOOXSA-N 2 1 331.504 2.315 10 30 EEEEMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001266381894 1176452160 /nfs/dbraw/zinc/45/21/60/1176452160.db2.gz BDNFCPUYOUSSEA-LJQANCHMSA-N 2 1 339.483 2.112 10 30 EEEEMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001266381894 1176452164 /nfs/dbraw/zinc/45/21/64/1176452164.db2.gz BDNFCPUYOUSSEA-LJQANCHMSA-N 2 1 339.483 2.112 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001772514884 1176504379 /nfs/dbraw/zinc/50/43/79/1176504379.db2.gz DWWDWDLHGXZOLL-ZWKOTPCHSA-N 2 1 331.504 2.102 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001691124215 1177614625 /nfs/dbraw/zinc/61/46/25/1177614625.db2.gz YBLGLHYEAPKOLV-IZAXUBKRSA-N 2 1 345.462 2.003 10 30 EEEEMP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001691365389 1177975159 /nfs/dbraw/zinc/97/51/59/1177975159.db2.gz YZWYCRWTKHTRKW-GOSISDBHSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC/C=C\CCC)CC1 ZINC001267717374 1180268142 /nfs/dbraw/zinc/26/81/42/1180268142.db2.gz UEXPUIVJKJRJRS-XOUUWWQPSA-N 2 1 343.515 2.363 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267913476 1180753135 /nfs/dbraw/zinc/75/31/35/1180753135.db2.gz QIOFWGCEWPAGAG-IBGZPJMESA-N 2 1 333.520 2.350 10 30 EEEEMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268192859 1181986693 /nfs/dbraw/zinc/98/66/93/1181986693.db2.gz SOZNWHWQABZFEL-CRAIPNDOSA-N 2 1 346.475 2.287 10 30 EEEEMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523456 1183176578 /nfs/dbraw/zinc/17/65/78/1183176578.db2.gz QOOKTZUEBNUPIT-KVLZDYKBSA-N 2 1 345.874 2.048 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753646 1183670316 /nfs/dbraw/zinc/67/03/16/1183670316.db2.gz VWONDWAIGJLFSU-PKOBYXMFSA-N 2 1 329.488 2.061 10 30 EEEEMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001268753646 1183670318 /nfs/dbraw/zinc/67/03/18/1183670318.db2.gz VWONDWAIGJLFSU-PKOBYXMFSA-N 2 1 329.488 2.061 10 30 EEEEMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001269553450 1184381725 /nfs/dbraw/zinc/38/17/25/1184381725.db2.gz TUPDUCAQIBBUPQ-LJQANCHMSA-N 2 1 342.487 2.165 10 30 EEEEMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)C1 ZINC001269553450 1184381728 /nfs/dbraw/zinc/38/17/28/1184381728.db2.gz TUPDUCAQIBBUPQ-LJQANCHMSA-N 2 1 342.487 2.165 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270364080 1185048896 /nfs/dbraw/zinc/04/88/96/1185048896.db2.gz LWGLNASNLSYGON-UHFFFAOYSA-N 2 1 333.520 2.299 10 30 EEEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001270907232 1185722858 /nfs/dbraw/zinc/72/28/58/1185722858.db2.gz YFFPBEQKEIDMNG-INIZCTEOSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984270 1185788445 /nfs/dbraw/zinc/78/84/45/1185788445.db2.gz ZEEHDRZKIGHJIC-LPHOPBHVSA-N 2 1 330.476 2.158 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001270984270 1185788447 /nfs/dbraw/zinc/78/84/47/1185788447.db2.gz ZEEHDRZKIGHJIC-LPHOPBHVSA-N 2 1 330.476 2.158 10 30 EEEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825006 1193464593 /nfs/dbraw/zinc/46/45/93/1193464593.db2.gz WWTRGXXNYCIHEU-OALUTQOASA-N 2 1 331.504 2.243 10 30 EEEEMP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)C[N@@H+](C)C1CCC1 ZINC001482929958 1187850663 /nfs/dbraw/zinc/85/06/63/1187850663.db2.gz AIFXCOMKMXGLFC-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019922 1188007441 /nfs/dbraw/zinc/00/74/41/1188007441.db2.gz RDMFHEPDYDSYLS-LTPVEEIWSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019922 1188007444 /nfs/dbraw/zinc/00/74/44/1188007444.db2.gz RDMFHEPDYDSYLS-LTPVEEIWSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](CC)c1ccccc1 ZINC001483019924 1188007501 /nfs/dbraw/zinc/00/75/01/1188007501.db2.gz RDMFHEPDYDSYLS-XIKIPACMSA-N 2 1 339.483 2.497 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](CC)c1ccccc1 ZINC001483019924 1188007504 /nfs/dbraw/zinc/00/75/04/1188007504.db2.gz RDMFHEPDYDSYLS-XIKIPACMSA-N 2 1 339.483 2.497 10 30 EEEEMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485946482 1193655092 /nfs/dbraw/zinc/65/50/92/1193655092.db2.gz FABMSXZRNOGNJO-KRWDZBQOSA-N 2 1 347.478 2.346 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483388230 1190429889 /nfs/dbraw/zinc/42/98/89/1190429889.db2.gz PFWHFJOQWXYCPK-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483388230 1190429890 /nfs/dbraw/zinc/42/98/90/1190429890.db2.gz PFWHFJOQWXYCPK-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483388230 1190429892 /nfs/dbraw/zinc/42/98/92/1190429892.db2.gz PFWHFJOQWXYCPK-QRQLOZEOSA-N 2 1 329.488 2.344 10 30 EEEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001483492927 1190509972 /nfs/dbraw/zinc/50/99/72/1190509972.db2.gz NEDSONUOOIMLME-UHFFFAOYSA-N 2 1 340.855 2.075 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063745 1191189620 /nfs/dbraw/zinc/18/96/20/1191189620.db2.gz GDHHMZCTYXBPKS-LJQANCHMSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063745 1191189621 /nfs/dbraw/zinc/18/96/21/1191189621.db2.gz GDHHMZCTYXBPKS-LJQANCHMSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063745 1191189622 /nfs/dbraw/zinc/18/96/22/1191189622.db2.gz GDHHMZCTYXBPKS-LJQANCHMSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001484063745 1191189623 /nfs/dbraw/zinc/18/96/23/1191189623.db2.gz GDHHMZCTYXBPKS-LJQANCHMSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001671059217 1195059921 /nfs/dbraw/zinc/05/99/21/1195059921.db2.gz HPRXEFCFLUPONY-UHFFFAOYSA-N 2 1 342.487 2.310 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000872239534 1198106069 /nfs/dbraw/zinc/10/60/69/1198106069.db2.gz RDPWFWICSOANLX-FCHUYYIVSA-N 2 1 347.462 2.252 10 30 EEEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000872239534 1198106072 /nfs/dbraw/zinc/10/60/72/1198106072.db2.gz RDPWFWICSOANLX-FCHUYYIVSA-N 2 1 347.462 2.252 10 30 EEEEMP C[C@@H](C#N)OCC[NH+]1CCCC2(CCC[N@@H+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054210 1199225989 /nfs/dbraw/zinc/22/59/89/1199225989.db2.gz IULDMBOVHQKTCS-ADUPEVMXSA-N 2 1 348.491 2.022 10 30 EEEEMP C[C@@H](C#N)OCC[NH+]1CCCC2(CCC[N@H+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054210 1199225992 /nfs/dbraw/zinc/22/59/92/1199225992.db2.gz IULDMBOVHQKTCS-ADUPEVMXSA-N 2 1 348.491 2.022 10 30 EEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773491 1201629189 /nfs/dbraw/zinc/62/91/89/1201629189.db2.gz OBHRASORKNQGPJ-KRWDZBQOSA-N 2 1 340.475 2.069 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001275573939 1205423198 /nfs/dbraw/zinc/42/31/98/1205423198.db2.gz KOWHDTBELZGEOZ-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001275573939 1205423200 /nfs/dbraw/zinc/42/32/00/1205423200.db2.gz KOWHDTBELZGEOZ-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001275573939 1205423202 /nfs/dbraw/zinc/42/32/02/1205423202.db2.gz KOWHDTBELZGEOZ-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001275573939 1205423203 /nfs/dbraw/zinc/42/32/03/1205423203.db2.gz KOWHDTBELZGEOZ-FBAPOHRVSA-N 2 1 339.483 2.234 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574042 1205423360 /nfs/dbraw/zinc/42/33/60/1205423360.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574042 1205423362 /nfs/dbraw/zinc/42/33/62/1205423362.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001275574042 1205423363 /nfs/dbraw/zinc/42/33/63/1205423363.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001275574042 1205423365 /nfs/dbraw/zinc/42/33/65/1205423365.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001275574042 1205423367 /nfs/dbraw/zinc/42/33/67/1205423367.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 1 341.499 2.349 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(=C)Cl)C(C)C ZINC001276122618 1205785213 /nfs/dbraw/zinc/78/52/13/1205785213.db2.gz HJZXYRNCOOZLOE-SJORKVTESA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(=C)Cl)C(C)C ZINC001276122618 1205785214 /nfs/dbraw/zinc/78/52/14/1205785214.db2.gz HJZXYRNCOOZLOE-SJORKVTESA-N 2 1 339.911 2.299 10 30 EEEEMP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273823978 1286464152 /nfs/dbraw/zinc/46/41/52/1286464152.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001273823978 1286464158 /nfs/dbraw/zinc/46/41/58/1286464158.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001273823978 1286464161 /nfs/dbraw/zinc/46/41/61/1286464161.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 2 1 341.499 2.447 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679941 1291561817 /nfs/dbraw/zinc/56/18/17/1291561817.db2.gz QCCIIHNRLFHGLN-SJORKVTESA-N 2 1 346.500 2.088 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276838832 1299862871 /nfs/dbraw/zinc/86/28/71/1299862871.db2.gz BZSNDQGRBCBORC-IPMKNSEASA-N 2 1 331.504 2.102 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001277079671 1301182653 /nfs/dbraw/zinc/18/26/53/1301182653.db2.gz JMUOMOXSWWWJEH-MJGOQNOKSA-N 2 1 339.483 2.392 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001277079671 1301182656 /nfs/dbraw/zinc/18/26/56/1301182656.db2.gz JMUOMOXSWWWJEH-MJGOQNOKSA-N 2 1 339.483 2.392 10 30 EEEEMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001277473556 1303561046 /nfs/dbraw/zinc/56/10/46/1303561046.db2.gz GFDVFUQXBBASQD-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001277473556 1303561052 /nfs/dbraw/zinc/56/10/52/1303561052.db2.gz GFDVFUQXBBASQD-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001277473556 1303561057 /nfs/dbraw/zinc/56/10/57/1303561057.db2.gz GFDVFUQXBBASQD-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001277473556 1303561062 /nfs/dbraw/zinc/56/10/62/1303561062.db2.gz GFDVFUQXBBASQD-OAQYLSRUSA-N 2 1 339.483 2.066 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001277537442 1303851092 /nfs/dbraw/zinc/85/10/92/1303851092.db2.gz DJBKWGBMMKRGET-PZJWPPBQSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537442 1303851100 /nfs/dbraw/zinc/85/11/00/1303851100.db2.gz DJBKWGBMMKRGET-PZJWPPBQSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537442 1303851109 /nfs/dbraw/zinc/85/11/09/1303851109.db2.gz DJBKWGBMMKRGET-PZJWPPBQSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[NH2+]CCC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001277547454 1303884432 /nfs/dbraw/zinc/88/44/32/1303884432.db2.gz GASUSZWUTSKEAK-MJGOQNOKSA-N 2 1 327.472 2.189 10 30 EEEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001278681979 1317688391 /nfs/dbraw/zinc/68/83/91/1317688391.db2.gz PEKWGWQYYIUJSV-LJQANCHMSA-N 2 1 330.476 2.213 10 30 EEEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001278681979 1317688397 /nfs/dbraw/zinc/68/83/97/1317688397.db2.gz PEKWGWQYYIUJSV-LJQANCHMSA-N 2 1 330.476 2.213 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278746962 1317956757 /nfs/dbraw/zinc/95/67/57/1317956757.db2.gz CHORXKQFVGIGLD-HNNXBMFYSA-N 2 1 340.418 2.231 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278746962 1317956760 /nfs/dbraw/zinc/95/67/60/1317956760.db2.gz CHORXKQFVGIGLD-HNNXBMFYSA-N 2 1 340.418 2.231 10 30 EEEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001264740282 1322797793 /nfs/dbraw/zinc/79/77/93/1322797793.db2.gz MAXVXFMWFDAQTG-IRXDYDNUSA-N 2 1 325.472 2.003 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921039 /nfs/dbraw/zinc/92/10/39/1322921039.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921042 /nfs/dbraw/zinc/92/10/42/1322921042.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921044 /nfs/dbraw/zinc/92/10/44/1322921044.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 2 1 346.450 2.120 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596574 1323253137 /nfs/dbraw/zinc/25/31/37/1323253137.db2.gz GDOLEQLEWAXXNO-RBUKOAKNSA-N 2 1 333.520 2.348 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001265682296 1323317836 /nfs/dbraw/zinc/31/78/36/1323317836.db2.gz PAEGPPQYMNMEAU-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001265682215 1323317965 /nfs/dbraw/zinc/31/79/65/1323317965.db2.gz NGKBLAQLVDGPOS-YJBOKZPZSA-N 2 1 325.472 2.356 10 30 EEEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266009120 1323561946 /nfs/dbraw/zinc/56/19/46/1323561946.db2.gz NOJYLVLXABTXFZ-MJGOQNOKSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107649 1323673538 /nfs/dbraw/zinc/67/35/38/1323673538.db2.gz HCRFFTCHQLOJIX-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266107649 1323673546 /nfs/dbraw/zinc/67/35/46/1323673546.db2.gz HCRFFTCHQLOJIX-AEFFLSMTSA-N 2 1 330.476 2.253 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001266152668 1323721812 /nfs/dbraw/zinc/72/18/12/1323721812.db2.gz QHCDZNSTUJTUMG-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001266152668 1323721819 /nfs/dbraw/zinc/72/18/19/1323721819.db2.gz QHCDZNSTUJTUMG-HKUYNNGSSA-N 2 1 327.472 2.077 10 30 EEEEMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001279410337 1323900606 /nfs/dbraw/zinc/90/06/06/1323900606.db2.gz WVHAUGJVSUHJRX-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410337 1323900610 /nfs/dbraw/zinc/90/06/10/1323900610.db2.gz WVHAUGJVSUHJRX-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410337 1323900613 /nfs/dbraw/zinc/90/06/13/1323900613.db2.gz WVHAUGJVSUHJRX-QRVBRYPASA-N 2 1 333.520 2.465 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001279622405 1323963842 /nfs/dbraw/zinc/96/38/42/1323963842.db2.gz WZQOZEUUKSFUAQ-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP C[NH+](C)CCCC(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001279622405 1323963845 /nfs/dbraw/zinc/96/38/45/1323963845.db2.gz WZQOZEUUKSFUAQ-UHFFFAOYSA-N 2 1 339.483 2.128 10 30 EEEEMP C=CCC[N@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001280427041 1324219255 /nfs/dbraw/zinc/21/92/55/1324219255.db2.gz PJSRILWGEZDIFL-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C=CCC[N@@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001280427041 1324219262 /nfs/dbraw/zinc/21/92/62/1324219262.db2.gz PJSRILWGEZDIFL-UHFFFAOYSA-N 2 1 338.455 2.442 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCF)CC1 ZINC001281500313 1325177952 /nfs/dbraw/zinc/17/79/52/1325177952.db2.gz QPXUPYSADGOGQC-KRWDZBQOSA-N 2 1 337.483 2.195 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCF)CC1 ZINC001281500313 1325177958 /nfs/dbraw/zinc/17/79/58/1325177958.db2.gz QPXUPYSADGOGQC-KRWDZBQOSA-N 2 1 337.483 2.195 10 30 EEEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001282310047 1325685415 /nfs/dbraw/zinc/68/54/15/1325685415.db2.gz DUDXYQNRXPVOPB-MRXNPFEDSA-N 2 1 332.492 2.404 10 30 EEEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001491829302 1330266464 /nfs/dbraw/zinc/26/64/64/1330266464.db2.gz IURCUNPYAFQWJX-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317201156 1332129608 /nfs/dbraw/zinc/12/96/08/1332129608.db2.gz ZBIVNCURDDJXGC-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001317224231 1332143552 /nfs/dbraw/zinc/14/35/52/1332143552.db2.gz XAPZZJAFDQQALY-WWDZGPRUSA-N 2 1 337.508 2.080 10 30 EEEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437738 1332241070 /nfs/dbraw/zinc/24/10/70/1332241070.db2.gz XAMYAUCBNMCFBX-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317437738 1332241073 /nfs/dbraw/zinc/24/10/73/1332241073.db2.gz XAMYAUCBNMCFBX-ZWKOTPCHSA-N 2 1 342.487 2.138 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317802874 1332414274 /nfs/dbraw/zinc/41/42/74/1332414274.db2.gz ZSWYYTRIIGRQKZ-LJQANCHMSA-N 2 1 341.499 2.256 10 30 EEEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001319241478 1332669729 /nfs/dbraw/zinc/66/97/29/1332669729.db2.gz CVGUBUXUZSCSML-UHOSZYNNSA-N 2 1 329.488 2.250 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001320451217 1332886974 /nfs/dbraw/zinc/88/69/74/1332886974.db2.gz UYOAXMLFWBMXDT-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001320451217 1332886975 /nfs/dbraw/zinc/88/69/75/1332886975.db2.gz UYOAXMLFWBMXDT-MJGOQNOKSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001321875803 1333171763 /nfs/dbraw/zinc/17/17/63/1333171763.db2.gz JZZAHYGRNGUGLC-MPGHIAIKSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001321875803 1333171769 /nfs/dbraw/zinc/17/17/69/1333171769.db2.gz JZZAHYGRNGUGLC-MPGHIAIKSA-N 2 1 331.435 2.079 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001322054983 1333202156 /nfs/dbraw/zinc/20/21/56/1333202156.db2.gz XRWXFVOPJOQRGN-HNNXBMFYSA-N 2 1 335.879 2.128 10 30 EEEEMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001322272713 1333239844 /nfs/dbraw/zinc/23/98/44/1333239844.db2.gz ADJKAVPAGYAQOA-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1Cl ZINC001322272713 1333239846 /nfs/dbraw/zinc/23/98/46/1333239846.db2.gz ADJKAVPAGYAQOA-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC001322272713 1333239848 /nfs/dbraw/zinc/23/98/48/1333239848.db2.gz ADJKAVPAGYAQOA-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC001322272713 1333239850 /nfs/dbraw/zinc/23/98/50/1333239850.db2.gz ADJKAVPAGYAQOA-INIZCTEOSA-N 2 1 349.906 2.470 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021427 1335949147 /nfs/dbraw/zinc/94/91/47/1335949147.db2.gz OWCFVDLFKBRMKI-CABCVRRESA-N 2 1 347.425 2.416 10 30 EEEEMP C#CC[N@@H+](CC[C@H](O)C(C)C)C1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC001336832064 1336601695 /nfs/dbraw/zinc/60/16/95/1336601695.db2.gz BKEAMWFAJBKGPJ-PMACEKPBSA-N 2 1 338.536 2.200 10 30 EEEEMP C#CC[N@H+](CC[C@H](O)C(C)C)C1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC001336832064 1336601699 /nfs/dbraw/zinc/60/16/99/1336601699.db2.gz BKEAMWFAJBKGPJ-PMACEKPBSA-N 2 1 338.536 2.200 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340728734 1337236787 /nfs/dbraw/zinc/23/67/87/1337236787.db2.gz JFKODFMBNCALLB-KRWDZBQOSA-N 2 1 346.523 2.228 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001340728734 1337236791 /nfs/dbraw/zinc/23/67/91/1337236791.db2.gz JFKODFMBNCALLB-KRWDZBQOSA-N 2 1 346.523 2.228 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC001665805687 1355391482 /nfs/dbraw/zinc/39/14/82/1355391482.db2.gz XNBHBOSKDLLPAU-MOPGFXCFSA-N 2 1 327.472 2.077 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC001665805687 1355391492 /nfs/dbraw/zinc/39/14/92/1355391492.db2.gz XNBHBOSKDLLPAU-MOPGFXCFSA-N 2 1 327.472 2.077 10 30 EEEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001500388548 1342184658 /nfs/dbraw/zinc/18/46/58/1342184658.db2.gz PNKVVPNAKNPZER-IBGZPJMESA-N 2 1 339.443 2.285 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567743099 1342831510 /nfs/dbraw/zinc/83/15/10/1342831510.db2.gz UYHUOHAWWLCOOX-SFHVURJKSA-N 2 1 333.520 2.465 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001569577628 1342900960 /nfs/dbraw/zinc/90/09/60/1342900960.db2.gz YZGSSMABBKZSGM-UHFFFAOYSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(CC)CC)C1 ZINC001569672461 1342921576 /nfs/dbraw/zinc/92/15/76/1342921576.db2.gz ILQFCQLQYZFTEU-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(CC)CC)C1 ZINC001569672461 1342921578 /nfs/dbraw/zinc/92/15/78/1342921578.db2.gz ILQFCQLQYZFTEU-ICSRJNTNSA-N 2 1 333.520 2.348 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001570905120 1343137634 /nfs/dbraw/zinc/13/76/34/1343137634.db2.gz NUJLLAFEBPWIBQ-RBUKOAKNSA-N 2 1 341.499 2.205 10 30 EEEEMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001570905120 1343137651 /nfs/dbraw/zinc/13/76/51/1343137651.db2.gz NUJLLAFEBPWIBQ-RBUKOAKNSA-N 2 1 341.499 2.205 10 30 EEEEMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001676838397 1357218086 /nfs/dbraw/zinc/21/80/86/1357218086.db2.gz SWZZESYCAVTZQV-FGTMMUONSA-N 2 1 330.476 2.374 10 30 EEEEMP COCC#CC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001659212959 1354377280 /nfs/dbraw/zinc/37/72/80/1354377280.db2.gz TWLWHZALAOVAPZ-HDICACEKSA-N 2 1 330.472 2.377 10 30 EEEEMP COCC#CC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001659212959 1354377285 /nfs/dbraw/zinc/37/72/85/1354377285.db2.gz TWLWHZALAOVAPZ-HDICACEKSA-N 2 1 330.472 2.377 10 30 EEEEMP COCC#CC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001659212959 1354377289 /nfs/dbraw/zinc/37/72/89/1354377289.db2.gz TWLWHZALAOVAPZ-HDICACEKSA-N 2 1 330.472 2.377 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001661138781 1354596401 /nfs/dbraw/zinc/59/64/01/1354596401.db2.gz YTXWBZAZXYIHCX-PMACEKPBSA-N 2 1 343.515 2.459 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001661138781 1354596404 /nfs/dbraw/zinc/59/64/04/1354596404.db2.gz YTXWBZAZXYIHCX-PMACEKPBSA-N 2 1 343.515 2.459 10 30 EEEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235066 1354614404 /nfs/dbraw/zinc/61/44/04/1354614404.db2.gz DBXUFRCFSDFSSP-RTBURBONSA-N 2 1 333.520 2.301 10 30 EEEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001662099136 1354749219 /nfs/dbraw/zinc/74/92/19/1354749219.db2.gz HMCNFOALKJGXDS-DAWZGUTISA-N 2 1 339.524 2.304 10 30 EEEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001662099136 1354749222 /nfs/dbraw/zinc/74/92/22/1354749222.db2.gz HMCNFOALKJGXDS-DAWZGUTISA-N 2 1 339.524 2.304 10 30 EEEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663104981 1354915571 /nfs/dbraw/zinc/91/55/71/1354915571.db2.gz PAYGSLYAUUFOMQ-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663104981 1354915573 /nfs/dbraw/zinc/91/55/73/1354915573.db2.gz PAYGSLYAUUFOMQ-INIZCTEOSA-N 2 1 346.475 2.431 10 30 EEEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001666021624 1355427053 /nfs/dbraw/zinc/42/70/53/1355427053.db2.gz IPZORFBAHTWKAB-KXBFYZLASA-N 2 1 330.476 2.205 10 30 EEEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001672816197 1356590916 /nfs/dbraw/zinc/59/09/16/1356590916.db2.gz NNQXRVOSWMGAJJ-QGZVFWFLSA-N 2 1 333.520 2.491 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001674142531 1356797307 /nfs/dbraw/zinc/79/73/07/1356797307.db2.gz UEJGWKXHIDZRQE-SJORKVTESA-N 2 1 337.508 2.033 10 30 EEEEMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674938761 1356914243 /nfs/dbraw/zinc/91/42/43/1356914243.db2.gz NAYHZWDDWIPQGV-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674938761 1356914245 /nfs/dbraw/zinc/91/42/45/1356914245.db2.gz NAYHZWDDWIPQGV-MRXNPFEDSA-N 2 1 345.462 2.098 10 30 EEEEMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939429 1356914402 /nfs/dbraw/zinc/91/44/02/1356914402.db2.gz VFORIVMTEKIYDY-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001674939429 1356914405 /nfs/dbraw/zinc/91/44/05/1356914405.db2.gz VFORIVMTEKIYDY-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001674939429 1356914406 /nfs/dbraw/zinc/91/44/06/1356914406.db2.gz VFORIVMTEKIYDY-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001674939429 1356914410 /nfs/dbraw/zinc/91/44/10/1356914410.db2.gz VFORIVMTEKIYDY-ICSRJNTNSA-N 2 1 341.499 2.349 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941033746 779748884 /nfs/dbraw/zinc/74/88/84/779748884.db2.gz ULKXMDIQQHLXRR-DZGCQCFKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941033746 779748889 /nfs/dbraw/zinc/74/88/89/779748889.db2.gz ULKXMDIQQHLXRR-DZGCQCFKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941033746 779748896 /nfs/dbraw/zinc/74/88/96/779748896.db2.gz ULKXMDIQQHLXRR-DZGCQCFKSA-N 2 1 327.900 2.297 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941033746 779748899 /nfs/dbraw/zinc/74/88/99/779748899.db2.gz ULKXMDIQQHLXRR-DZGCQCFKSA-N 2 1 327.900 2.297 10 30 EEEEMP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439151892 1091793150 /nfs/dbraw/zinc/79/31/50/1091793150.db2.gz FREVKSJBGDGMAR-CQSZACIVSA-N 2 1 348.466 2.270 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439286321 1091946473 /nfs/dbraw/zinc/94/64/73/1091946473.db2.gz SXQAEGLSFUUOMA-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413433 1092181986 /nfs/dbraw/zinc/18/19/86/1092181986.db2.gz YROOAYRRBHAMCI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1C#N ZINC001439413433 1092181993 /nfs/dbraw/zinc/18/19/93/1092181993.db2.gz YROOAYRRBHAMCI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC001439413433 1092182000 /nfs/dbraw/zinc/18/20/00/1092182000.db2.gz YROOAYRRBHAMCI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC001439413433 1092182006 /nfs/dbraw/zinc/18/20/06/1092182006.db2.gz YROOAYRRBHAMCI-LPHOPBHVSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393088 1093389632 /nfs/dbraw/zinc/38/96/32/1093389632.db2.gz HXYDBTJQGBYKQV-GOSISDBHSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393088 1093389642 /nfs/dbraw/zinc/38/96/42/1093389642.db2.gz HXYDBTJQGBYKQV-GOSISDBHSA-N 2 1 342.487 2.225 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393088 1093389650 /nfs/dbraw/zinc/38/96/50/1093389650.db2.gz HXYDBTJQGBYKQV-GOSISDBHSA-N 2 1 342.487 2.225 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854415 1095946416 /nfs/dbraw/zinc/94/64/16/1095946416.db2.gz DROAEIRQGOOIHW-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001441854415 1095946425 /nfs/dbraw/zinc/94/64/25/1095946425.db2.gz DROAEIRQGOOIHW-KSSFIOAISA-N 2 1 346.450 2.166 10 30 EEEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843634 1099135505 /nfs/dbraw/zinc/13/55/05/1099135505.db2.gz HOLWPISMGDMFFG-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479843634 1099135510 /nfs/dbraw/zinc/13/55/10/1099135510.db2.gz HOLWPISMGDMFFG-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479843634 1099135514 /nfs/dbraw/zinc/13/55/14/1099135514.db2.gz HOLWPISMGDMFFG-GOSISDBHSA-N 2 1 333.520 2.493 10 30 EEEEMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001496640462 1101245249 /nfs/dbraw/zinc/24/52/49/1101245249.db2.gz BKWOBYCQICYCSH-SFHVURJKSA-N 2 1 348.466 2.268 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCCC)C2)CC1 ZINC001495974418 1101871676 /nfs/dbraw/zinc/87/16/76/1101871676.db2.gz ROYOFSLTYKZQOA-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCCC)C2)CC1 ZINC001495974418 1101871688 /nfs/dbraw/zinc/87/16/88/1101871688.db2.gz ROYOFSLTYKZQOA-SFHVURJKSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969246 1103226463 /nfs/dbraw/zinc/22/64/63/1103226463.db2.gz YKDYNVWSVHHLKH-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493969246 1103226476 /nfs/dbraw/zinc/22/64/76/1103226476.db2.gz YKDYNVWSVHHLKH-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493969246 1103226487 /nfs/dbraw/zinc/22/64/87/1103226487.db2.gz YKDYNVWSVHHLKH-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493969246 1103226511 /nfs/dbraw/zinc/22/65/11/1103226511.db2.gz YKDYNVWSVHHLKH-QFBILLFUSA-N 2 1 337.483 2.145 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022546 1103369205 /nfs/dbraw/zinc/36/92/05/1103369205.db2.gz VGCHFKQYMOOSDI-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494022546 1103369213 /nfs/dbraw/zinc/36/92/13/1103369213.db2.gz VGCHFKQYMOOSDI-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494022546 1103369226 /nfs/dbraw/zinc/36/92/26/1103369226.db2.gz VGCHFKQYMOOSDI-IEBWSBKVSA-N 2 1 331.504 2.245 10 30 EEEEMP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001494299819 1103855918 /nfs/dbraw/zinc/85/59/18/1103855918.db2.gz QZVWCFIWRZJSQP-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001494299819 1103855941 /nfs/dbraw/zinc/85/59/41/1103855941.db2.gz QZVWCFIWRZJSQP-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001494299819 1103855956 /nfs/dbraw/zinc/85/59/56/1103855956.db2.gz QZVWCFIWRZJSQP-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001494299819 1103855967 /nfs/dbraw/zinc/85/59/67/1103855967.db2.gz QZVWCFIWRZJSQP-MSOLQXFVSA-N 2 1 339.524 2.258 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368190 1107402354 /nfs/dbraw/zinc/40/23/54/1107402354.db2.gz RFMXKKDTJAILCN-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368190 1107402356 /nfs/dbraw/zinc/40/23/56/1107402356.db2.gz RFMXKKDTJAILCN-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368190 1107402362 /nfs/dbraw/zinc/40/23/62/1107402362.db2.gz RFMXKKDTJAILCN-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368190 1107402365 /nfs/dbraw/zinc/40/23/65/1107402365.db2.gz RFMXKKDTJAILCN-BJLQDIEVSA-N 2 1 341.499 2.205 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2cccc(C)c2)CC1 ZINC001493061950 1107421344 /nfs/dbraw/zinc/42/13/44/1107421344.db2.gz JQXUFWBEZCSHFN-UHFFFAOYSA-N 2 1 341.499 2.278 10 30 EEEEMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001493240732 1107754669 /nfs/dbraw/zinc/75/46/69/1107754669.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240732 1107754686 /nfs/dbraw/zinc/75/46/86/1107754686.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001493240732 1107754701 /nfs/dbraw/zinc/75/47/01/1107754701.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 2 1 325.472 2.213 10 30 EEEEMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001501172031 1113227439 /nfs/dbraw/zinc/22/74/39/1113227439.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501172031 1113227441 /nfs/dbraw/zinc/22/74/41/1113227441.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 2 1 339.911 2.440 10 30 EEEEMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501172031 1113227445 /nfs/dbraw/zinc/22/74/45/1113227445.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 2 1 339.911 2.440 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298915 1115180505 /nfs/dbraw/zinc/18/05/05/1115180505.db2.gz RZVLBDGWAGSQQG-RDTXWAMCSA-N 2 1 346.450 2.117 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298913 1115180605 /nfs/dbraw/zinc/18/06/05/1115180605.db2.gz RZVLBDGWAGSQQG-KDOFPFPSSA-N 2 1 346.450 2.117 10 30 EEEEMP CC#CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390221 1115247176 /nfs/dbraw/zinc/24/71/76/1115247176.db2.gz SWDKLEIYFKBVCV-UYAOXDASSA-N 2 1 341.499 2.059 10 30 EEEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431417 1115265200 /nfs/dbraw/zinc/26/52/00/1115265200.db2.gz MPNZGRGQMDRBAN-MJGOQNOKSA-N 2 1 345.531 2.491 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001567838620 1124136628 /nfs/dbraw/zinc/13/66/28/1124136628.db2.gz GPCOUGBGMLPFMB-YOEHRIQHSA-N 2 1 330.476 2.157 10 30 EEEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001568026551 1124237008 /nfs/dbraw/zinc/23/70/08/1124237008.db2.gz TYXXHBHJHHSOMQ-BEFAXECRSA-N 2 1 330.476 2.205 10 30 EEEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001568094842 1124298589 /nfs/dbraw/zinc/29/85/89/1124298589.db2.gz QKHHRZOCEJGKKU-OALUTQOASA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220030 1124363213 /nfs/dbraw/zinc/36/32/13/1124363213.db2.gz IHEVUZLGSGTWDB-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001568220030 1124363219 /nfs/dbraw/zinc/36/32/19/1124363219.db2.gz IHEVUZLGSGTWDB-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001568220030 1124363222 /nfs/dbraw/zinc/36/32/22/1124363222.db2.gz IHEVUZLGSGTWDB-MOPGFXCFSA-N 2 1 349.519 2.177 10 30 EEEEMP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001568410129 1124479411 /nfs/dbraw/zinc/47/94/11/1124479411.db2.gz RLQXNEOBFCZEJA-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001568858435 1124881883 /nfs/dbraw/zinc/88/18/83/1124881883.db2.gz NEEGIFCKXYXGNG-YJJPMGAVSA-N 2 1 339.483 2.175 10 30 EEEEMP C[C@@H](C[N@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108058 1125101895 /nfs/dbraw/zinc/10/18/95/1125101895.db2.gz BLXPTQPTVSYBOH-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108058 1125101901 /nfs/dbraw/zinc/10/19/01/1125101901.db2.gz BLXPTQPTVSYBOH-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001569108058 1125101904 /nfs/dbraw/zinc/10/19/04/1125101904.db2.gz BLXPTQPTVSYBOH-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP C[C@@H](C[NH+](C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001569108058 1125101908 /nfs/dbraw/zinc/10/19/08/1125101908.db2.gz BLXPTQPTVSYBOH-YJBOKZPZSA-N 2 1 347.890 2.222 10 30 EEEEMP CC(C)CO[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000341879632 465271969 /nfs/dbraw/zinc/27/19/69/465271969.db2.gz BYNWGCKBNWAFND-WOJBJXKFSA-N 2 1 336.520 2.484 10 30 EEEEMP CC(C)CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000341879632 465271973 /nfs/dbraw/zinc/27/19/73/465271973.db2.gz BYNWGCKBNWAFND-WOJBJXKFSA-N 2 1 336.520 2.484 10 30 EEEEMP CC(C)CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000341879632 465271978 /nfs/dbraw/zinc/27/19/78/465271978.db2.gz BYNWGCKBNWAFND-WOJBJXKFSA-N 2 1 336.520 2.484 10 30 EEEEMP CC[NH+]=C(NCC(C1CC1)C1CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000086535988 462577579 /nfs/dbraw/zinc/57/75/79/462577579.db2.gz QNMFDMAYIWVJOF-MRXNPFEDSA-N 2 1 348.535 2.042 10 30 EEEEMP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000569256654 468465496 /nfs/dbraw/zinc/46/54/96/468465496.db2.gz LHEJATVBLOETGT-KRWDZBQOSA-N 2 1 340.471 2.003 10 30 EEEEMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441087 468589481 /nfs/dbraw/zinc/58/94/81/468589481.db2.gz MMDSUNHUAZVVTO-RBUKOAKNSA-N 2 1 342.487 2.426 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441086 468589538 /nfs/dbraw/zinc/58/95/38/468589538.db2.gz MMDSUNHUAZVVTO-OALUTQOASA-N 2 1 342.487 2.426 10 30 EEEEMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972848 469072669 /nfs/dbraw/zinc/07/26/69/469072669.db2.gz PWCSLABWWOIFDR-MSOLQXFVSA-N 2 1 340.471 2.122 10 30 EEEEMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972848 469072671 /nfs/dbraw/zinc/07/26/71/469072671.db2.gz PWCSLABWWOIFDR-MSOLQXFVSA-N 2 1 340.471 2.122 10 30 EEEEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812946 469078871 /nfs/dbraw/zinc/07/88/71/469078871.db2.gz QKVIYAOOAUBFIB-XLIONFOSSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610812946 469078876 /nfs/dbraw/zinc/07/88/76/469078876.db2.gz QKVIYAOOAUBFIB-XLIONFOSSA-N 2 1 326.488 2.475 10 30 EEEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)nc2ccccc21 ZINC000596359359 469250332 /nfs/dbraw/zinc/25/03/32/469250332.db2.gz BFCSZKURDMALJA-HNNXBMFYSA-N 2 1 325.460 2.212 10 30 EEEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657530919 471163330 /nfs/dbraw/zinc/16/33/30/471163330.db2.gz UUTPVFZAILRPPI-QZTJIDSGSA-N 2 1 329.492 2.453 10 30 EEEEMP C[NH+]=C(NCCc1ccc2ccccc2n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262783527 688456647 /nfs/dbraw/zinc/45/66/47/688456647.db2.gz LUECYRCFFBLJKP-QGZVFWFLSA-N 2 1 337.471 2.179 10 30 EEEEMP C[NH+]=C(NCCc1ccc2ccccc2n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262783527 688456650 /nfs/dbraw/zinc/45/66/50/688456650.db2.gz LUECYRCFFBLJKP-QGZVFWFLSA-N 2 1 337.471 2.179 10 30 EEEEMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001266501739 1176660234 /nfs/dbraw/zinc/66/02/34/1176660234.db2.gz IXXFCIQENNIKFX-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001266501739 1176660242 /nfs/dbraw/zinc/66/02/42/1176660242.db2.gz IXXFCIQENNIKFX-KDURUIRLSA-N 2 1 349.519 2.130 10 30 EEEEMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001266544640 1176802719 /nfs/dbraw/zinc/80/27/19/1176802719.db2.gz FKOZYQASUROXOM-LJQANCHMSA-N 2 1 342.487 2.228 10 30 EEEEMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001266813086 1177472111 /nfs/dbraw/zinc/47/21/11/1177472111.db2.gz DFUBZAQAFCAYLS-HNNXBMFYSA-N 2 1 348.516 2.290 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001691110350 1177590003 /nfs/dbraw/zinc/59/00/03/1177590003.db2.gz NEUFDSRZBXBDAX-YESZJQIVSA-N 2 1 330.476 2.205 10 30 EEEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001267201446 1178486911 /nfs/dbraw/zinc/48/69/11/1178486911.db2.gz OLCPJMSDYFUROX-YOEHRIQHSA-N 2 1 330.476 2.157 10 30 EEEEMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267225318 1178540545 /nfs/dbraw/zinc/54/05/45/1178540545.db2.gz TXWOENJRSHNOLQ-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267225318 1178540553 /nfs/dbraw/zinc/54/05/53/1178540553.db2.gz TXWOENJRSHNOLQ-OAHLLOKOSA-N 2 1 327.432 2.284 10 30 EEEEMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001268238954 1182063080 /nfs/dbraw/zinc/06/30/80/1182063080.db2.gz NLHQIOWTNOFPIP-IBGZPJMESA-N 2 1 345.462 2.122 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC001268238954 1182063087 /nfs/dbraw/zinc/06/30/87/1182063087.db2.gz NLHQIOWTNOFPIP-IBGZPJMESA-N 2 1 345.462 2.122 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001268238954 1182063092 /nfs/dbraw/zinc/06/30/92/1182063092.db2.gz NLHQIOWTNOFPIP-IBGZPJMESA-N 2 1 345.462 2.122 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)c(F)c1 ZINC001268238954 1182063098 /nfs/dbraw/zinc/06/30/98/1182063098.db2.gz NLHQIOWTNOFPIP-IBGZPJMESA-N 2 1 345.462 2.122 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001268760575 1183676515 /nfs/dbraw/zinc/67/65/15/1183676515.db2.gz WIBWXRSMZQOSNF-INIZCTEOSA-N 2 1 345.462 2.107 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCC=C ZINC001268947143 1183852338 /nfs/dbraw/zinc/85/23/38/1183852338.db2.gz CTVPPYGGKBSAMR-FHWLQOOXSA-N 2 1 329.488 2.116 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC=C ZINC001268947143 1183852344 /nfs/dbraw/zinc/85/23/44/1183852344.db2.gz CTVPPYGGKBSAMR-FHWLQOOXSA-N 2 1 329.488 2.116 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCC=C ZINC001268947143 1183852348 /nfs/dbraw/zinc/85/23/48/1183852348.db2.gz CTVPPYGGKBSAMR-FHWLQOOXSA-N 2 1 329.488 2.116 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCC=C ZINC001268947143 1183852355 /nfs/dbraw/zinc/85/23/55/1183852355.db2.gz CTVPPYGGKBSAMR-FHWLQOOXSA-N 2 1 329.488 2.116 10 30 EEEEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510929 1184332688 /nfs/dbraw/zinc/33/26/88/1184332688.db2.gz SYYKWDMTQIOORF-IAGOWNOFSA-N 2 1 347.890 2.128 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001270051540 1184812414 /nfs/dbraw/zinc/81/24/14/1184812414.db2.gz YARZLBPEOSQNAK-HKUYNNGSSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001270807181 1185406487 /nfs/dbraw/zinc/40/64/87/1185406487.db2.gz WGUYCZCLZNVVLC-ROUUACIJSA-N 2 1 349.519 2.225 10 30 EEEEMP CC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001271445936 1186232122 /nfs/dbraw/zinc/23/21/22/1186232122.db2.gz IVNTVFCEBADNQF-XLIONFOSSA-N 2 1 341.499 2.361 10 30 EEEEMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001482532912 1186537239 /nfs/dbraw/zinc/53/72/39/1186537239.db2.gz IXQUKSARHZYLBC-HXUWFJFHSA-N 2 1 341.499 2.253 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001271867584 1186566521 /nfs/dbraw/zinc/56/65/21/1186566521.db2.gz WPHYEWVYWLKLGI-HRCADAONSA-N 2 1 346.475 2.095 10 30 EEEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001271867584 1186566528 /nfs/dbraw/zinc/56/65/28/1186566528.db2.gz WPHYEWVYWLKLGI-HRCADAONSA-N 2 1 346.475 2.095 10 30 EEEEMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@H]2C1 ZINC001271893023 1186587790 /nfs/dbraw/zinc/58/77/90/1186587790.db2.gz ZRCFKMKCJASHHE-ZCNNSNEGSA-N 2 1 339.483 2.093 10 30 EEEEMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001271893023 1186587795 /nfs/dbraw/zinc/58/77/95/1186587795.db2.gz ZRCFKMKCJASHHE-ZCNNSNEGSA-N 2 1 339.483 2.093 10 30 EEEEMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@H]2C1 ZINC001271893023 1186587801 /nfs/dbraw/zinc/58/78/01/1186587801.db2.gz ZRCFKMKCJASHHE-ZCNNSNEGSA-N 2 1 339.483 2.093 10 30 EEEEMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001483144177 1188750798 /nfs/dbraw/zinc/75/07/98/1188750798.db2.gz RGUHSUYFTBRPLO-VQIMIIECSA-N 2 1 342.487 2.273 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001483422362 1190469266 /nfs/dbraw/zinc/46/92/66/1190469266.db2.gz WMMKIKDCFURXEC-GOSISDBHSA-N 2 1 341.499 2.011 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272670573 1191009103 /nfs/dbraw/zinc/00/91/03/1191009103.db2.gz VLJWJWQRMJCIKU-HXUWFJFHSA-N 2 1 339.483 2.100 10 30 EEEEMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799022 1191036807 /nfs/dbraw/zinc/03/68/07/1191036807.db2.gz LVSPRDLSFXCKRP-MRXNPFEDSA-N 2 1 327.900 2.251 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987670 1191143475 /nfs/dbraw/zinc/14/34/75/1191143475.db2.gz ZEWPQGDMEGCBOW-SFHVURJKSA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)C(C)(C)[NH+]3CCCC3)cccc2C1 ZINC001484613284 1191437968 /nfs/dbraw/zinc/43/79/68/1191437968.db2.gz ZRSMOSWHNOECFB-UHFFFAOYSA-N 2 1 339.483 2.169 10 30 EEEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484987613 1191603495 /nfs/dbraw/zinc/60/34/95/1191603495.db2.gz DEAPVXXWSJWLOI-MSOLQXFVSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485003556 1191610503 /nfs/dbraw/zinc/61/05/03/1191610503.db2.gz CIACKGKGWZTTRN-HXUWFJFHSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001485003556 1191610504 /nfs/dbraw/zinc/61/05/04/1191610504.db2.gz CIACKGKGWZTTRN-HXUWFJFHSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001485003556 1191610507 /nfs/dbraw/zinc/61/05/07/1191610507.db2.gz CIACKGKGWZTTRN-HXUWFJFHSA-N 2 1 339.483 2.210 10 30 EEEEMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001485003556 1191610509 /nfs/dbraw/zinc/61/05/09/1191610509.db2.gz CIACKGKGWZTTRN-HXUWFJFHSA-N 2 1 339.483 2.210 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386851 1191774666 /nfs/dbraw/zinc/77/46/66/1191774666.db2.gz AMFGYWLNPQHFRI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001485386851 1191774667 /nfs/dbraw/zinc/77/46/67/1191774667.db2.gz AMFGYWLNPQHFRI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001485386851 1191774668 /nfs/dbraw/zinc/77/46/68/1191774668.db2.gz AMFGYWLNPQHFRI-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486186001 1193726563 /nfs/dbraw/zinc/72/65/63/1193726563.db2.gz FUKSREMYAIWBSE-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486186001 1193726566 /nfs/dbraw/zinc/72/65/66/1193726566.db2.gz FUKSREMYAIWBSE-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486186001 1193726568 /nfs/dbraw/zinc/72/65/68/1193726568.db2.gz FUKSREMYAIWBSE-VQIMIIECSA-N 2 1 342.487 2.368 10 30 EEEEMP C#CC[NH+](C)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001486375525 1193882558 /nfs/dbraw/zinc/88/25/58/1193882558.db2.gz JSZKECPNULFXKY-SFHVURJKSA-N 2 1 325.472 2.001 10 30 EEEEMP C#CC[NH+](C)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001486375525 1193882563 /nfs/dbraw/zinc/88/25/63/1193882563.db2.gz JSZKECPNULFXKY-SFHVURJKSA-N 2 1 325.472 2.001 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932338 1199822848 /nfs/dbraw/zinc/82/28/48/1199822848.db2.gz KERGAZKACJOBEP-GVDBMIGSSA-N 2 1 333.863 2.189 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666485 1201574617 /nfs/dbraw/zinc/57/46/17/1201574617.db2.gz SPYNHNVBTAKKMO-SQNIBIBYSA-N 2 1 327.428 2.094 10 30 EEEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666485 1201574621 /nfs/dbraw/zinc/57/46/21/1201574621.db2.gz SPYNHNVBTAKKMO-SQNIBIBYSA-N 2 1 327.428 2.094 10 30 EEEEMP CNC(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)=[NH+]C ZINC000097229936 1214617645 /nfs/dbraw/zinc/61/76/45/1214617645.db2.gz VVGWKMNDSBOJHM-UHFFFAOYSA-N 2 1 339.281 2.208 10 30 EEEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001691745162 1257133181 /nfs/dbraw/zinc/13/31/81/1257133181.db2.gz SCKRIFVIEITSGK-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001691745162 1257133184 /nfs/dbraw/zinc/13/31/84/1257133184.db2.gz SCKRIFVIEITSGK-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001691745162 1257133187 /nfs/dbraw/zinc/13/31/87/1257133187.db2.gz SCKRIFVIEITSGK-NZSAHSFTSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607332 1281075257 /nfs/dbraw/zinc/07/52/57/1281075257.db2.gz LWIQGQYXEMSHMD-RBUKOAKNSA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347610 1290531027 /nfs/dbraw/zinc/53/10/27/1290531027.db2.gz BNSAVPUNOCPDHC-SFHVURJKSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001277537443 1303851582 /nfs/dbraw/zinc/85/15/82/1303851582.db2.gz DJBKWGBMMKRGET-TZIWHRDSSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537443 1303851589 /nfs/dbraw/zinc/85/15/89/1303851589.db2.gz DJBKWGBMMKRGET-TZIWHRDSSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001277537443 1303851593 /nfs/dbraw/zinc/85/15/93/1303851593.db2.gz DJBKWGBMMKRGET-TZIWHRDSSA-N 2 1 339.483 2.237 10 30 EEEEMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163088 1306144782 /nfs/dbraw/zinc/14/47/82/1306144782.db2.gz AXOLDOCWNGBOIV-HKUYNNGSSA-N 2 1 331.504 2.338 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001119366519 1309057706 /nfs/dbraw/zinc/05/77/06/1309057706.db2.gz GHKFNRDKJJNPPE-GOSISDBHSA-N 2 1 346.519 2.134 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001119366519 1309057714 /nfs/dbraw/zinc/05/77/14/1309057714.db2.gz GHKFNRDKJJNPPE-GOSISDBHSA-N 2 1 346.519 2.134 10 30 EEEEMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278746963 1317956611 /nfs/dbraw/zinc/95/66/11/1317956611.db2.gz CHORXKQFVGIGLD-OAHLLOKOSA-N 2 1 340.418 2.231 10 30 EEEEMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278746963 1317956614 /nfs/dbraw/zinc/95/66/14/1317956614.db2.gz CHORXKQFVGIGLD-OAHLLOKOSA-N 2 1 340.418 2.231 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001263832051 1322531802 /nfs/dbraw/zinc/53/18/02/1322531802.db2.gz IJRZLDOPXKPVCP-OKZBNKHCSA-N 2 1 331.504 2.149 10 30 EEEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001264160634 1322645090 /nfs/dbraw/zinc/64/50/90/1322645090.db2.gz YKSABMNEYRYGOF-HFTRVMKXSA-N 2 1 330.476 2.299 10 30 EEEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001264160634 1322645100 /nfs/dbraw/zinc/64/51/00/1322645100.db2.gz YKSABMNEYRYGOF-HFTRVMKXSA-N 2 1 330.476 2.299 10 30 EEEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001264679256 1322780360 /nfs/dbraw/zinc/78/03/60/1322780360.db2.gz AMZZHXDNIFICJK-MOPGFXCFSA-N 2 1 333.520 2.493 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597399 1323254378 /nfs/dbraw/zinc/25/43/78/1323254378.db2.gz XMSIZZLRIXNEEE-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001265597399 1323254382 /nfs/dbraw/zinc/25/43/82/1323254382.db2.gz XMSIZZLRIXNEEE-PKOBYXMFSA-N 2 1 327.472 2.141 10 30 EEEEMP C[NH+](CC(=O)NCCC[N@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001265862620 1323435895 /nfs/dbraw/zinc/43/58/95/1323435895.db2.gz FJYNFCCCRKZHCV-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001265862620 1323435897 /nfs/dbraw/zinc/43/58/97/1323435897.db2.gz FJYNFCCCRKZHCV-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001265862620 1323435902 /nfs/dbraw/zinc/43/59/02/1323435902.db2.gz FJYNFCCCRKZHCV-UHFFFAOYSA-N 2 1 346.450 2.120 10 30 EEEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001279590432 1323951176 /nfs/dbraw/zinc/95/11/76/1323951176.db2.gz BATVFNXJPQIWDR-QGZVFWFLSA-N 2 1 328.460 2.160 10 30 EEEEMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001281036038 1324733906 /nfs/dbraw/zinc/73/39/06/1324733906.db2.gz HEJRQBZICFSCGO-UHFFFAOYSA-N 2 1 346.475 2.431 10 30 EEEEMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001283145344 1325934023 /nfs/dbraw/zinc/93/40/23/1325934023.db2.gz DZFAKEIRYXYDRG-MAUKXSAKSA-N 2 1 328.460 2.027 10 30 EEEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738120 1326690246 /nfs/dbraw/zinc/69/02/46/1326690246.db2.gz SPRYUTNQQQZFSJ-KBPBESRZSA-N 2 1 335.414 2.272 10 30 EEEEMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001492110853 1330479807 /nfs/dbraw/zinc/47/98/07/1330479807.db2.gz SZBDEYMHBMNEDT-GDBMZVCRSA-N 2 1 346.450 2.024 10 30 EEEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001317004787 1332040691 /nfs/dbraw/zinc/04/06/91/1332040691.db2.gz DQBLJWNMYZGNSW-PXNSSMCTSA-N 2 1 331.504 2.409 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317041580 1332056421 /nfs/dbraw/zinc/05/64/21/1332056421.db2.gz CYQZOVHPYZXOKV-KRWDZBQOSA-N 2 1 338.455 2.450 10 30 EEEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001317178774 1332116531 /nfs/dbraw/zinc/11/65/31/1332116531.db2.gz NRMSOVGFPWZBEP-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001317178774 1332116532 /nfs/dbraw/zinc/11/65/32/1332116532.db2.gz NRMSOVGFPWZBEP-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001317178774 1332116535 /nfs/dbraw/zinc/11/65/35/1332116535.db2.gz NRMSOVGFPWZBEP-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001317178774 1332116537 /nfs/dbraw/zinc/11/65/37/1332116537.db2.gz NRMSOVGFPWZBEP-IBGZPJMESA-N 2 1 329.488 2.318 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320450974 1332886933 /nfs/dbraw/zinc/88/69/33/1332886933.db2.gz SMSVHADUDRSQLE-KGLIPLIRSA-N 2 1 346.313 2.254 10 30 EEEEMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320450973 1332887067 /nfs/dbraw/zinc/88/70/67/1332887067.db2.gz SMSVHADUDRSQLE-KBPBESRZSA-N 2 1 346.313 2.254 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642812 1332927127 /nfs/dbraw/zinc/92/71/27/1332927127.db2.gz BCMVPMQJKQYYLG-VQIMIIECSA-N 2 1 342.487 2.417 10 30 EEEEMP CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001322569442 1333285291 /nfs/dbraw/zinc/28/52/91/1333285291.db2.gz KTWHEMTXUQGILS-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001323048188 1333374946 /nfs/dbraw/zinc/37/49/46/1333374946.db2.gz QZFDKKLGOJQITQ-RBUKOAKNSA-N 2 1 331.504 2.291 10 30 EEEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325416205 1333882259 /nfs/dbraw/zinc/88/22/59/1333882259.db2.gz KWDRXYMFVMNOOV-LSDHHAIUSA-N 2 1 334.464 2.143 10 30 EEEEMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001325707868 1333944622 /nfs/dbraw/zinc/94/46/22/1333944622.db2.gz FKRREJNDQHMPCM-KRWDZBQOSA-N 2 1 335.879 2.309 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001331203573 1334979633 /nfs/dbraw/zinc/97/96/33/1334979633.db2.gz WJNZYRHPVOYHRC-GMNCBBECSA-N 2 1 333.520 2.251 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001331203573 1334979634 /nfs/dbraw/zinc/97/96/34/1334979634.db2.gz WJNZYRHPVOYHRC-GMNCBBECSA-N 2 1 333.520 2.251 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219863 1343035030 /nfs/dbraw/zinc/03/50/30/1343035030.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001570219863 1343035034 /nfs/dbraw/zinc/03/50/34/1343035034.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001570219863 1343035038 /nfs/dbraw/zinc/03/50/38/1343035038.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 2 1 333.520 2.301 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001676847349 1357220013 /nfs/dbraw/zinc/22/00/13/1357220013.db2.gz WYLFCDBFVBYVEI-FGTMMUONSA-N 2 1 342.487 2.247 10 30 EEEEMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001657101803 1354325318 /nfs/dbraw/zinc/32/53/18/1354325318.db2.gz HVFZKJXNWWWHBU-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101803 1354325323 /nfs/dbraw/zinc/32/53/23/1354325323.db2.gz HVFZKJXNWWWHBU-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001657101803 1354325326 /nfs/dbraw/zinc/32/53/26/1354325326.db2.gz HVFZKJXNWWWHBU-MSOLQXFVSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001661220946 1354611178 /nfs/dbraw/zinc/61/11/78/1354611178.db2.gz LSALYLOOAQLHGO-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001661220946 1354611181 /nfs/dbraw/zinc/61/11/81/1354611181.db2.gz LSALYLOOAQLHGO-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001661220946 1354611183 /nfs/dbraw/zinc/61/11/83/1354611183.db2.gz LSALYLOOAQLHGO-MOPGFXCFSA-N 2 1 333.520 2.302 10 30 EEEEMP C=CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996687 1354739223 /nfs/dbraw/zinc/73/92/23/1354739223.db2.gz OVXSLHSOEBVMCC-QZTJIDSGSA-N 2 1 349.519 2.034 10 30 EEEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001666287173 1355503318 /nfs/dbraw/zinc/50/33/18/1355503318.db2.gz QEZAUGPIRDGZEG-ULQDDVLXSA-N 2 1 330.476 2.437 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC(=C)C)CC1 ZINC001666368030 1355518967 /nfs/dbraw/zinc/51/89/67/1355518967.db2.gz MUXSLAOPNJKTBM-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC(=C)C)CC1 ZINC001666368030 1355518972 /nfs/dbraw/zinc/51/89/72/1355518972.db2.gz MUXSLAOPNJKTBM-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001666927035 1355616083 /nfs/dbraw/zinc/61/60/83/1355616083.db2.gz GCNHMGFTDIAEEF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001666927035 1355616089 /nfs/dbraw/zinc/61/60/89/1355616089.db2.gz GCNHMGFTDIAEEF-LPHOPBHVSA-N 2 1 345.462 2.168 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001667392695 1355729854 /nfs/dbraw/zinc/72/98/54/1355729854.db2.gz CNIOMVKKLMSGDR-DLBZAZTESA-N 2 1 330.476 2.247 10 30 EEEEMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001667414116 1355737250 /nfs/dbraw/zinc/73/72/50/1355737250.db2.gz XBGUAVWJSZMXLZ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001667414116 1355737253 /nfs/dbraw/zinc/73/72/53/1355737253.db2.gz XBGUAVWJSZMXLZ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001667414116 1355737256 /nfs/dbraw/zinc/73/72/56/1355737256.db2.gz XBGUAVWJSZMXLZ-IBGZPJMESA-N 2 1 333.520 2.445 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C ZINC001669827659 1356219913 /nfs/dbraw/zinc/21/99/13/1356219913.db2.gz ZLYPOZUAUWOPFO-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C ZINC001669827659 1356219919 /nfs/dbraw/zinc/21/99/19/1356219919.db2.gz ZLYPOZUAUWOPFO-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(F)cc1C ZINC001669827659 1356219923 /nfs/dbraw/zinc/21/99/23/1356219923.db2.gz ZLYPOZUAUWOPFO-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(F)cc1C ZINC001669827659 1356219931 /nfs/dbraw/zinc/21/99/31/1356219931.db2.gz ZLYPOZUAUWOPFO-APWZRJJASA-N 2 1 345.462 2.168 10 30 EEEEMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492244 1356349822 /nfs/dbraw/zinc/34/98/22/1356349822.db2.gz ULAHDENYOCHVPF-GOSISDBHSA-N 2 1 345.531 2.445 10 30 EEEEMP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543402 1356551633 /nfs/dbraw/zinc/55/16/33/1356551633.db2.gz IPGXBRQAHSGQJY-OALUTQOASA-N 2 1 349.519 2.130 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC/C=C\CC)CC1 ZINC001691839532 1404950195 /nfs/dbraw/zinc/95/01/95/1404950195.db2.gz OMHKTSDGFVHHCU-GGJLBNBESA-N 2 1 343.515 2.363 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001698723499 1405029622 /nfs/dbraw/zinc/02/96/22/1405029622.db2.gz UXWLHMQMQPRSTA-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001698723499 1405029628 /nfs/dbraw/zinc/02/96/28/1405029628.db2.gz UXWLHMQMQPRSTA-IBGZPJMESA-N 2 1 331.504 2.269 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001698828573 1405095604 /nfs/dbraw/zinc/09/56/04/1405095604.db2.gz IXPBABXEBLOHSL-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001698828573 1405095612 /nfs/dbraw/zinc/09/56/12/1405095612.db2.gz IXPBABXEBLOHSL-HKUYNNGSSA-N 2 1 333.520 2.491 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017453 1405232114 /nfs/dbraw/zinc/23/21/14/1405232114.db2.gz BNTUGMHFPVZOEU-GDBMZVCRSA-N 2 1 334.464 2.191 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882428 779459588 /nfs/dbraw/zinc/45/95/88/779459588.db2.gz QLWJBCXDRUBLNM-QGZVFWFLSA-N 2 1 339.443 2.284 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001566537240 1125706000 /nfs/dbraw/zinc/70/60/00/1125706000.db2.gz LEUKJIZFTDMTMF-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001566537240 1125706007 /nfs/dbraw/zinc/70/60/07/1125706007.db2.gz LEUKJIZFTDMTMF-HKUYNNGSSA-N 2 1 327.472 2.111 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001437353133 1089569229 /nfs/dbraw/zinc/56/92/29/1089569229.db2.gz UXUWGUKRXOVKGU-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001437353133 1089569241 /nfs/dbraw/zinc/56/92/41/1089569241.db2.gz UXUWGUKRXOVKGU-KRWDZBQOSA-N 2 1 346.450 2.072 10 30 EEEEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437369998 1089609926 /nfs/dbraw/zinc/60/99/26/1089609926.db2.gz DTNFRUNDGLIHET-CKEIUWERSA-N 2 1 346.450 2.022 10 30 EEEEMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480041 1089825916 /nfs/dbraw/zinc/82/59/16/1089825916.db2.gz BIXAKUMMPUNZQS-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccc(C#N)cc1 ZINC001437480041 1089825928 /nfs/dbraw/zinc/82/59/28/1089825928.db2.gz BIXAKUMMPUNZQS-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1ccc(C#N)cc1 ZINC001437480041 1089825941 /nfs/dbraw/zinc/82/59/41/1089825941.db2.gz BIXAKUMMPUNZQS-OALUTQOASA-N 2 1 340.471 2.123 10 30 EEEEMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001438343520 1090820050 /nfs/dbraw/zinc/82/00/50/1090820050.db2.gz NREVDKVCAGHJSD-QZTJIDSGSA-N 2 1 346.450 2.166 10 30 EEEEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001438806438 1091416447 /nfs/dbraw/zinc/41/64/47/1091416447.db2.gz DMDLBENFGNLWQZ-LZQZEXGQSA-N 2 1 342.487 2.129 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439675451 1092615997 /nfs/dbraw/zinc/61/59/97/1092615997.db2.gz HVANLJIFTMQPIB-OKILXGFUSA-N 2 1 346.500 2.231 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001449032758 1094043920 /nfs/dbraw/zinc/04/39/20/1094043920.db2.gz JAZLPCAPXZBJQX-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001449032758 1094043925 /nfs/dbraw/zinc/04/39/25/1094043925.db2.gz JAZLPCAPXZBJQX-CZUORRHYSA-N 2 1 334.489 2.041 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524222 1095225941 /nfs/dbraw/zinc/22/59/41/1095225941.db2.gz OPXBXSZFHXRWTD-QFBILLFUSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639816 /nfs/dbraw/zinc/63/98/16/1098639816.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639822 /nfs/dbraw/zinc/63/98/22/1098639822.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 2 1 331.504 2.099 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639826 /nfs/dbraw/zinc/63/98/26/1098639826.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 2 1 331.504 2.099 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328730 1098894495 /nfs/dbraw/zinc/89/44/95/1098894495.db2.gz PIYKCQIJKQIJPM-VQIMIIECSA-N 2 1 342.487 2.275 10 30 EEEEMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001479874748 1099233136 /nfs/dbraw/zinc/23/31/36/1099233136.db2.gz BQNKORKWBMNJHS-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001479874748 1099233137 /nfs/dbraw/zinc/23/31/37/1099233137.db2.gz BQNKORKWBMNJHS-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480078652 1099622645 /nfs/dbraw/zinc/62/26/45/1099622645.db2.gz VRFNQOFIGCBZLL-HNNXBMFYSA-N 2 1 333.501 2.227 10 30 EEEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480144053 1099711765 /nfs/dbraw/zinc/71/17/65/1099711765.db2.gz VIMJOSRQBHHKTM-RBSFLKMASA-N 2 1 346.500 2.231 10 30 EEEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001480224149 1099843241 /nfs/dbraw/zinc/84/32/41/1099843241.db2.gz OTHDNASICLNLEZ-GASCZTMLSA-N 2 1 332.448 2.087 10 30 EEEEMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001480382522 1100174799 /nfs/dbraw/zinc/17/47/99/1100174799.db2.gz JTLVJQIUJAQOLF-WMZOPIPTSA-N 2 1 342.487 2.227 10 30 EEEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001497681968 1102893252 /nfs/dbraw/zinc/89/32/52/1102893252.db2.gz XHPURNHXNJKSAU-PDZIMXBZSA-N 2 1 330.476 2.371 10 30 EEEEMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001480739911 1107025571 /nfs/dbraw/zinc/02/55/71/1107025571.db2.gz UDCIEQIUCCKLTQ-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001480739911 1107025585 /nfs/dbraw/zinc/02/55/85/1107025585.db2.gz UDCIEQIUCCKLTQ-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001480739911 1107025601 /nfs/dbraw/zinc/02/56/01/1107025601.db2.gz UDCIEQIUCCKLTQ-FQEVSTJZSA-N 2 1 341.499 2.303 10 30 EEEEMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001493403126 1108085935 /nfs/dbraw/zinc/08/59/35/1108085935.db2.gz LHPUIXIXEXSFMI-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001493403126 1108085947 /nfs/dbraw/zinc/08/59/47/1108085947.db2.gz LHPUIXIXEXSFMI-INIZCTEOSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001501143097 1113213538 /nfs/dbraw/zinc/21/35/38/1113213538.db2.gz JDXAHEZHFNQGSB-HOTGVXAUSA-N 2 1 339.443 2.141 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCC)CC2)CC1 ZINC001502147451 1113616169 /nfs/dbraw/zinc/61/61/69/1113616169.db2.gz JODNXBYOHLOWNZ-IBGZPJMESA-N 2 1 333.520 2.493 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001507090457 1115102997 /nfs/dbraw/zinc/10/29/97/1115102997.db2.gz IAQRXHPDUGPFLQ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001507090457 1115102999 /nfs/dbraw/zinc/10/29/99/1115102999.db2.gz IAQRXHPDUGPFLQ-YJBOKZPZSA-N 2 1 347.890 2.374 10 30 EEEEMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352124 1115215238 /nfs/dbraw/zinc/21/52/38/1115215238.db2.gz WRQWJJOPIQNQLN-UYAOXDASSA-N 2 1 340.471 2.123 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372044 1115230384 /nfs/dbraw/zinc/23/03/84/1115230384.db2.gz DNRMQVHPUWCKNW-QZTJIDSGSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372048 1115230731 /nfs/dbraw/zinc/23/07/31/1115230731.db2.gz DNRMQVHPUWCKNW-ZWKOTPCHSA-N 2 1 333.520 2.491 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001568997952 1125030469 /nfs/dbraw/zinc/03/04/69/1125030469.db2.gz QHWUOVFTCWNVOR-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001568997952 1125030477 /nfs/dbraw/zinc/03/04/77/1125030477.db2.gz QHWUOVFTCWNVOR-UZLBHIALSA-N 2 1 339.483 2.256 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440894 468588822 /nfs/dbraw/zinc/58/88/22/468588822.db2.gz JDFNTOWTIFLPEZ-MSOLQXFVSA-N 2 1 328.460 2.178 10 30 EEEEMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)oc1C ZINC000600728550 468638723 /nfs/dbraw/zinc/63/87/23/468638723.db2.gz UMLHDSDMZGUYSY-KRWDZBQOSA-N 2 1 346.475 2.148 10 30 EEEEMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000085146261 528803337 /nfs/dbraw/zinc/80/33/37/528803337.db2.gz REWDIEWUCIUBPV-MRXNPFEDSA-N 2 1 336.524 2.254 10 30 EEEEMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485722820 1191910030 /nfs/dbraw/zinc/91/00/30/1191910030.db2.gz QZUUAUHQYOGWKE-NLWGTHIKSA-N 2 1 341.499 2.253 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266469152 1176595554 /nfs/dbraw/zinc/59/55/54/1176595554.db2.gz GCJLDWOOYNMWAR-MOPGFXCFSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001266721234 1177287407 /nfs/dbraw/zinc/28/74/07/1177287407.db2.gz NFCYNMKFQSAQON-IYBDPMFKSA-N 2 1 325.416 2.084 10 30 EEEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001691208990 1177707061 /nfs/dbraw/zinc/70/70/61/1177707061.db2.gz NEUWBEBJABWIEY-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001691208990 1177707064 /nfs/dbraw/zinc/70/70/64/1177707064.db2.gz NEUWBEBJABWIEY-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001691208990 1177707071 /nfs/dbraw/zinc/70/70/71/1177707071.db2.gz NEUWBEBJABWIEY-KRWDZBQOSA-N 2 1 331.504 2.245 10 30 EEEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001267012739 1178081439 /nfs/dbraw/zinc/08/14/39/1178081439.db2.gz BZBXEDRJMMTNHO-INIZCTEOSA-N 2 1 337.508 2.033 10 30 EEEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267182013 1178441789 /nfs/dbraw/zinc/44/17/89/1178441789.db2.gz SGOKTHVRPUCDMJ-OALUTQOASA-N 2 1 333.520 2.491 10 30 EEEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691472684 1178906239 /nfs/dbraw/zinc/90/62/39/1178906239.db2.gz BYNAHVYJIYWZDD-UHOSZYNNSA-N 2 1 327.472 2.187 10 30 EEEEMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001481139908 1179901610 /nfs/dbraw/zinc/90/16/10/1179901610.db2.gz FXTGWCLVGHGCRE-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481139908 1179901618 /nfs/dbraw/zinc/90/16/18/1179901618.db2.gz FXTGWCLVGHGCRE-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001481139908 1179901624 /nfs/dbraw/zinc/90/16/24/1179901624.db2.gz FXTGWCLVGHGCRE-HXUWFJFHSA-N 2 1 341.499 2.351 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001481242744 1180418625 /nfs/dbraw/zinc/41/86/25/1180418625.db2.gz UWHFKRLZYGABMW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001481242744 1180418629 /nfs/dbraw/zinc/41/86/29/1180418629.db2.gz UWHFKRLZYGABMW-QAPCUYQASA-N 2 1 331.435 2.032 10 30 EEEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001267914952 1180756080 /nfs/dbraw/zinc/75/60/80/1180756080.db2.gz SJESEVSNWRHSQD-LJQANCHMSA-N 2 1 337.483 2.050 10 30 EEEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267946865 1180808231 /nfs/dbraw/zinc/80/82/31/1180808231.db2.gz CFIWHYJKCMEWFP-IBGZPJMESA-N 2 1 333.520 2.491 10 30 EEEEMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481737761 1182452861 /nfs/dbraw/zinc/45/28/61/1182452861.db2.gz CPDNYMDEYWJZOO-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481737761 1182452865 /nfs/dbraw/zinc/45/28/65/1182452865.db2.gz CPDNYMDEYWJZOO-LJQANCHMSA-N 2 1 345.462 2.052 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817088 1182734797 /nfs/dbraw/zinc/73/47/97/1182734797.db2.gz SMIQXCZGIVTQRQ-MOPGFXCFSA-N 2 1 342.487 2.417 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663943 1185283611 /nfs/dbraw/zinc/28/36/11/1185283611.db2.gz BMTHGRJVPFXPSL-IRXDYDNUSA-N 2 1 337.508 2.033 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367929 1185528225 /nfs/dbraw/zinc/52/82/25/1185528225.db2.gz CINWNEQIXYJSGS-AZUAARDMSA-N 2 1 341.499 2.349 10 30 EEEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001670854620 1187507803 /nfs/dbraw/zinc/50/78/03/1187507803.db2.gz GWPJZWJJPNPZLM-GOSISDBHSA-N 2 1 325.472 2.404 10 30 EEEEMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482842103 1187761849 /nfs/dbraw/zinc/76/18/49/1187761849.db2.gz UXWZTULEPSYDAH-LPHOPBHVSA-N 2 1 342.487 2.417 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](CCF)CC3CC3)CC2)CC1 ZINC001670988955 1193539636 /nfs/dbraw/zinc/53/96/36/1193539636.db2.gz BWGTYNRJIQQWLI-UHFFFAOYSA-N 2 1 349.494 2.004 10 30 EEEEMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568335 1190048085 /nfs/dbraw/zinc/04/80/85/1190048085.db2.gz JRSWIRORQFQWMQ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409568335 1190048091 /nfs/dbraw/zinc/04/80/91/1190048091.db2.gz JRSWIRORQFQWMQ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409568335 1190048096 /nfs/dbraw/zinc/04/80/96/1190048096.db2.gz JRSWIRORQFQWMQ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409568335 1190048102 /nfs/dbraw/zinc/04/81/02/1190048102.db2.gz JRSWIRORQFQWMQ-VQIMIIECSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420469 1190466724 /nfs/dbraw/zinc/46/67/24/1190466724.db2.gz JHJSJXHNIAOYLD-SFHVURJKSA-N 2 1 341.499 2.277 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001272608673 1190917828 /nfs/dbraw/zinc/91/78/28/1190917828.db2.gz SHKLAVWBBYRFPW-IBGZPJMESA-N 2 1 342.487 2.228 10 30 EEEEMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001272670475 1191008909 /nfs/dbraw/zinc/00/89/09/1191008909.db2.gz RXJWBZIPDQJYRX-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC001272670475 1191008911 /nfs/dbraw/zinc/00/89/11/1191008911.db2.gz RXJWBZIPDQJYRX-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272670475 1191008914 /nfs/dbraw/zinc/00/89/14/1191008914.db2.gz RXJWBZIPDQJYRX-UHFFFAOYSA-N 2 1 327.472 2.242 10 30 EEEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484522277 1191396967 /nfs/dbraw/zinc/39/69/67/1191396967.db2.gz GFGXADBRKRVCSZ-CVEARBPZSA-N 2 1 327.900 2.442 10 30 EEEEMP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688931 1191481826 /nfs/dbraw/zinc/48/18/26/1191481826.db2.gz UEESUJLUMUTTJD-QAPCUYQASA-N 2 1 347.890 2.270 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001484728309 1191487445 /nfs/dbraw/zinc/48/74/45/1191487445.db2.gz LZXAZHJPYIEZML-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001484728309 1191487446 /nfs/dbraw/zinc/48/74/46/1191487446.db2.gz LZXAZHJPYIEZML-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001485037665 1191627482 /nfs/dbraw/zinc/62/74/82/1191627482.db2.gz SBQYLDQXGVOSDN-SJORKVTESA-N 2 1 330.476 2.391 10 30 EEEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691682290 1197488131 /nfs/dbraw/zinc/48/81/31/1197488131.db2.gz HNCGFWFDXVGFMD-MJGOQNOKSA-N 2 1 333.520 2.489 10 30 EEEEMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872240338 1198106438 /nfs/dbraw/zinc/10/64/38/1198106438.db2.gz WDTNLQORPYRHSP-SFTDATJTSA-N 2 1 335.451 2.108 10 30 EEEEMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872240338 1198106443 /nfs/dbraw/zinc/10/64/43/1198106443.db2.gz WDTNLQORPYRHSP-SFTDATJTSA-N 2 1 335.451 2.108 10 30 EEEEMP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410949483 1198615176 /nfs/dbraw/zinc/61/51/76/1198615176.db2.gz FXOQPXGUIKDSNR-ZIAGYGMSSA-N 2 1 346.313 2.110 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734360 1199746250 /nfs/dbraw/zinc/74/62/50/1199746250.db2.gz CZRZSZPHAJZJNR-IAGOWNOFSA-N 2 1 335.879 2.485 10 30 EEEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741333 1199751029 /nfs/dbraw/zinc/75/10/29/1199751029.db2.gz QMUWJAXZAMDKPY-IAGOWNOFSA-N 2 1 335.879 2.137 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000929848054 1206508252 /nfs/dbraw/zinc/50/82/52/1206508252.db2.gz PMCYRKWAFKAQOX-HKUYNNGSSA-N 2 1 325.456 2.413 10 30 EEEEMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000929848054 1206508254 /nfs/dbraw/zinc/50/82/54/1206508254.db2.gz PMCYRKWAFKAQOX-HKUYNNGSSA-N 2 1 325.456 2.413 10 30 EEEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267887346 1276751555 /nfs/dbraw/zinc/75/15/55/1276751555.db2.gz HNZVHIKCNPFQOJ-HNNXBMFYSA-N 2 1 334.464 2.144 10 30 EEEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001276724977 1296942107 /nfs/dbraw/zinc/94/21/07/1296942107.db2.gz CQIVOQKSWUQYBV-LDLYASANSA-N 2 1 333.520 2.367 10 30 EEEEMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001276791944 1297752593 /nfs/dbraw/zinc/75/25/93/1297752593.db2.gz YVAIQUNLASNWEM-AEFFLSMTSA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001276887164 1300114499 /nfs/dbraw/zinc/11/44/99/1300114499.db2.gz XDPBZKCNHHRYEO-FQEVSTJZSA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001276887164 1300114500 /nfs/dbraw/zinc/11/45/00/1300114500.db2.gz XDPBZKCNHHRYEO-FQEVSTJZSA-N 2 1 331.504 2.363 10 30 EEEEMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001276887164 1300114504 /nfs/dbraw/zinc/11/45/04/1300114504.db2.gz XDPBZKCNHHRYEO-FQEVSTJZSA-N 2 1 331.504 2.363 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001277447593 1303091992 /nfs/dbraw/zinc/09/19/92/1303091992.db2.gz MSKMPRWNPMUGOX-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001277447593 1303092005 /nfs/dbraw/zinc/09/20/05/1303092005.db2.gz MSKMPRWNPMUGOX-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001277447593 1303092013 /nfs/dbraw/zinc/09/20/13/1303092013.db2.gz MSKMPRWNPMUGOX-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001277447593 1303092021 /nfs/dbraw/zinc/09/20/21/1303092021.db2.gz MSKMPRWNPMUGOX-UHFFFAOYSA-N 2 1 327.472 2.065 10 30 EEEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001278336025 1309553145 /nfs/dbraw/zinc/55/31/45/1309553145.db2.gz OBPLCLLYGJOQMO-IEBWSBKVSA-N 2 1 337.483 2.004 10 30 EEEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001278520395 1317128439 /nfs/dbraw/zinc/12/84/39/1317128439.db2.gz FTPFAHYXPROXJS-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001278520395 1317128444 /nfs/dbraw/zinc/12/84/44/1317128444.db2.gz FTPFAHYXPROXJS-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001278520395 1317128448 /nfs/dbraw/zinc/12/84/48/1317128448.db2.gz FTPFAHYXPROXJS-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001278520395 1317128454 /nfs/dbraw/zinc/12/84/54/1317128454.db2.gz FTPFAHYXPROXJS-UYAOXDASSA-N 2 1 341.499 2.153 10 30 EEEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265396276 1323126736 /nfs/dbraw/zinc/12/67/36/1323126736.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396276 1323126744 /nfs/dbraw/zinc/12/67/44/1323126744.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265396276 1323126755 /nfs/dbraw/zinc/12/67/55/1323126755.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 2 1 333.520 2.443 10 30 EEEEMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265733953 1323355745 /nfs/dbraw/zinc/35/57/45/1323355745.db2.gz JUSUILBYGFYOTC-ABHNRTSZSA-N 2 1 337.508 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001265786559 1323379907 /nfs/dbraw/zinc/37/99/07/1323379907.db2.gz POGNSPCPRLVXOQ-YJBOKZPZSA-N 2 1 339.439 2.125 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001265786559 1323379913 /nfs/dbraw/zinc/37/99/13/1323379913.db2.gz POGNSPCPRLVXOQ-YJBOKZPZSA-N 2 1 339.439 2.125 10 30 EEEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813479 1323394837 /nfs/dbraw/zinc/39/48/37/1323394837.db2.gz RURPHAATCXKYEP-AZUAARDMSA-N 2 1 341.499 2.254 10 30 EEEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001266240902 1323829165 /nfs/dbraw/zinc/82/91/65/1323829165.db2.gz FTUHEOOOCHRYNW-QGZVFWFLSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001280455658 1324235299 /nfs/dbraw/zinc/23/52/99/1324235299.db2.gz UFNCSKYTPGRYKO-QGZVFWFLSA-N 2 1 325.416 2.038 10 30 EEEEMP C=CCC[N@@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001280814586 1324537925 /nfs/dbraw/zinc/53/79/25/1324537925.db2.gz PIVBYSXCSIQQGC-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[N@H+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001280814586 1324537926 /nfs/dbraw/zinc/53/79/26/1324537926.db2.gz PIVBYSXCSIQQGC-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001280814586 1324537930 /nfs/dbraw/zinc/53/79/30/1324537930.db2.gz PIVBYSXCSIQQGC-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C=CCC[NH+](C)CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001280814586 1324537933 /nfs/dbraw/zinc/53/79/33/1324537933.db2.gz PIVBYSXCSIQQGC-KRWDZBQOSA-N 2 1 333.480 2.146 10 30 EEEEMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610792 1324776248 /nfs/dbraw/zinc/77/62/48/1324776248.db2.gz DVYNHGHYPOTCCP-PMACEKPBSA-N 2 1 339.483 2.007 10 30 EEEEMP C=C(C)C[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCOCC1 ZINC001281240053 1324913674 /nfs/dbraw/zinc/91/36/74/1324913674.db2.gz UIOXJFLTXDJLGW-MRXNPFEDSA-N 2 1 348.491 2.228 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281776331 1325449411 /nfs/dbraw/zinc/44/94/11/1325449411.db2.gz LZLVEUHFYFFOSJ-LPHOPBHVSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001281776331 1325449417 /nfs/dbraw/zinc/44/94/17/1325449417.db2.gz LZLVEUHFYFFOSJ-LPHOPBHVSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001281776331 1325449421 /nfs/dbraw/zinc/44/94/21/1325449421.db2.gz LZLVEUHFYFFOSJ-LPHOPBHVSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001281776331 1325449425 /nfs/dbraw/zinc/44/94/25/1325449425.db2.gz LZLVEUHFYFFOSJ-LPHOPBHVSA-N 2 1 327.472 2.230 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773592 1325782211 /nfs/dbraw/zinc/78/22/11/1325782211.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001282773592 1325782212 /nfs/dbraw/zinc/78/22/12/1325782212.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001282773592 1325782216 /nfs/dbraw/zinc/78/22/16/1325782216.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001282782321 1325785435 /nfs/dbraw/zinc/78/54/35/1325785435.db2.gz RDUVNKBAJFDONS-FQEVSTJZSA-N 2 1 349.519 2.132 10 30 EEEEMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001284149075 1326435746 /nfs/dbraw/zinc/43/57/46/1326435746.db2.gz RONPUQVIUFJYFM-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)[C@H]1C ZINC001284149075 1326435747 /nfs/dbraw/zinc/43/57/47/1326435747.db2.gz RONPUQVIUFJYFM-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC001284149075 1326435748 /nfs/dbraw/zinc/43/57/48/1326435748.db2.gz RONPUQVIUFJYFM-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC001284149075 1326435750 /nfs/dbraw/zinc/43/57/50/1326435750.db2.gz RONPUQVIUFJYFM-AZUAARDMSA-N 2 1 341.499 2.347 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001316799850 1331899593 /nfs/dbraw/zinc/89/95/93/1331899593.db2.gz KYOGRZUBSLXWNO-IIFCEKJISA-N 2 1 331.504 2.267 10 30 EEEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317767888 1332401972 /nfs/dbraw/zinc/40/19/72/1332401972.db2.gz WRFNTTHMLWVDCM-FQEVSTJZSA-N 2 1 341.499 2.350 10 30 EEEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317767888 1332401975 /nfs/dbraw/zinc/40/19/75/1332401975.db2.gz WRFNTTHMLWVDCM-FQEVSTJZSA-N 2 1 341.499 2.350 10 30 EEEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942963 1332800088 /nfs/dbraw/zinc/80/00/88/1332800088.db2.gz GEMDFMDXNONJLE-HSALFYBXSA-N 2 1 341.499 2.086 10 30 EEEEMP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320420120 1332879251 /nfs/dbraw/zinc/87/92/51/1332879251.db2.gz FFSKUZIXAOJQOD-CKEIUWERSA-N 2 1 346.450 2.022 10 30 EEEEMP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321522654 1333118142 /nfs/dbraw/zinc/11/81/42/1333118142.db2.gz QOUKYRDEWNBOQH-IIDMSEBBSA-N 2 1 347.890 2.126 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001321543464 1333121809 /nfs/dbraw/zinc/12/18/09/1333121809.db2.gz RTJRAWPABOHLNS-RKVPGOIHSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001321543464 1333121812 /nfs/dbraw/zinc/12/18/12/1333121812.db2.gz RTJRAWPABOHLNS-RKVPGOIHSA-N 2 1 331.435 2.079 10 30 EEEEMP C[N@@H+](CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1)CC(C)(C)C ZINC001323540456 1333484942 /nfs/dbraw/zinc/48/49/42/1333484942.db2.gz CXQJNLRLGVXXGS-UHFFFAOYSA-N 2 1 341.499 2.254 10 30 EEEEMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](CC)CC)cccc2C1 ZINC001326675607 1334140973 /nfs/dbraw/zinc/14/09/73/1334140973.db2.gz QAJFMDXXKAXMIE-FQEVSTJZSA-N 2 1 341.499 2.415 10 30 EEEEMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922111 1334740624 /nfs/dbraw/zinc/74/06/24/1334740624.db2.gz AFYWRENEXNCAQM-GOSISDBHSA-N 2 1 349.519 2.178 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340728736 1337236667 /nfs/dbraw/zinc/23/66/67/1337236667.db2.gz JFKODFMBNCALLB-QGZVFWFLSA-N 2 1 346.523 2.228 10 30 EEEEMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001340728736 1337236670 /nfs/dbraw/zinc/23/66/70/1337236670.db2.gz JFKODFMBNCALLB-QGZVFWFLSA-N 2 1 346.523 2.228 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001566918823 1342652852 /nfs/dbraw/zinc/65/28/52/1342652852.db2.gz YXTUBEFDTRBRDP-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001566918823 1342652855 /nfs/dbraw/zinc/65/28/55/1342652855.db2.gz YXTUBEFDTRBRDP-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001566918823 1342652859 /nfs/dbraw/zinc/65/28/59/1342652859.db2.gz YXTUBEFDTRBRDP-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001566918823 1342652862 /nfs/dbraw/zinc/65/28/62/1342652862.db2.gz YXTUBEFDTRBRDP-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001567746706 1342832396 /nfs/dbraw/zinc/83/23/96/1342832396.db2.gz LMHJSBQFJRVIFI-KRWDZBQOSA-N 2 1 327.488 2.413 10 30 EEEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)c(F)c1 ZINC001677644835 1357382607 /nfs/dbraw/zinc/38/26/07/1357382607.db2.gz MVRGRGFERALVRV-HNNXBMFYSA-N 2 1 333.451 2.449 10 30 EEEEMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001656254550 1354219485 /nfs/dbraw/zinc/21/94/85/1354219485.db2.gz WLIWJPLMBUXEAS-ZWKOTPCHSA-N 2 1 327.472 2.098 10 30 EEEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001656696859 1354265345 /nfs/dbraw/zinc/26/53/45/1354265345.db2.gz MZKUTZPUACJAFK-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001656696859 1354265348 /nfs/dbraw/zinc/26/53/48/1354265348.db2.gz MZKUTZPUACJAFK-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001656696859 1354265350 /nfs/dbraw/zinc/26/53/50/1354265350.db2.gz MZKUTZPUACJAFK-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001656696859 1354265353 /nfs/dbraw/zinc/26/53/53/1354265353.db2.gz MZKUTZPUACJAFK-KSZLIROESA-N 2 1 337.508 2.033 10 30 EEEEMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001660253134 1354426433 /nfs/dbraw/zinc/42/64/33/1354426433.db2.gz GYAXKGXQHDGLAJ-UHFFFAOYSA-N 2 1 348.516 2.432 10 30 EEEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001661946086 1354727508 /nfs/dbraw/zinc/72/75/08/1354727508.db2.gz FIEOZGPWSSYPLV-IRXDYDNUSA-N 2 1 330.476 2.301 10 30 EEEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663528659 1354980594 /nfs/dbraw/zinc/98/05/94/1354980594.db2.gz SHIZFOKEAOBGTH-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001663528659 1354980598 /nfs/dbraw/zinc/98/05/98/1354980598.db2.gz SHIZFOKEAOBGTH-MRXNPFEDSA-N 2 1 346.475 2.431 10 30 EEEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670091100 1356274115 /nfs/dbraw/zinc/27/41/15/1356274115.db2.gz SEGLPYBYDRXAPD-IBGZPJMESA-N 2 1 342.487 2.369 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001671535933 1356357701 /nfs/dbraw/zinc/35/77/01/1356357701.db2.gz JBINXSCYRMZLMZ-MOPGFXCFSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001671535933 1356357705 /nfs/dbraw/zinc/35/77/05/1356357705.db2.gz JBINXSCYRMZLMZ-MOPGFXCFSA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001671748269 1356407317 /nfs/dbraw/zinc/40/73/17/1356407317.db2.gz RVYPZFWRWAXSNQ-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001671748269 1356407320 /nfs/dbraw/zinc/40/73/20/1356407320.db2.gz RVYPZFWRWAXSNQ-PZJWPPBQSA-N 2 1 345.531 2.493 10 30 EEEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001671796451 1356416888 /nfs/dbraw/zinc/41/68/88/1356416888.db2.gz WTEDDDXBJBYVBU-LJQANCHMSA-N 2 1 339.443 2.285 10 30 EEEEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001672890945 1356608260 /nfs/dbraw/zinc/60/82/60/1356608260.db2.gz QESGSAMXSUVSLD-KRWDZBQOSA-N 2 1 342.487 2.228 10 30 EEEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001672929415 1356617711 /nfs/dbraw/zinc/61/77/11/1356617711.db2.gz HOPWNJCOEQWSJP-UHFFFAOYSA-N 2 1 329.488 2.346 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001672929415 1356617716 /nfs/dbraw/zinc/61/77/16/1356617716.db2.gz HOPWNJCOEQWSJP-UHFFFAOYSA-N 2 1 329.488 2.346 10 30 EEEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001672929415 1356617720 /nfs/dbraw/zinc/61/77/20/1356617720.db2.gz HOPWNJCOEQWSJP-UHFFFAOYSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001674456877 1356836714 /nfs/dbraw/zinc/83/67/14/1356836714.db2.gz ANRILEGEHWIMBQ-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001674456877 1356836719 /nfs/dbraw/zinc/83/67/19/1356836719.db2.gz ANRILEGEHWIMBQ-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001674456877 1356836723 /nfs/dbraw/zinc/83/67/23/1356836723.db2.gz ANRILEGEHWIMBQ-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001674456877 1356836725 /nfs/dbraw/zinc/83/67/25/1356836725.db2.gz ANRILEGEHWIMBQ-MAUKXSAKSA-N 2 1 345.491 2.289 10 30 EEEEMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792016 1405067497 /nfs/dbraw/zinc/06/74/97/1405067497.db2.gz JDKPIRNFNANELY-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698792016 1405067506 /nfs/dbraw/zinc/06/75/06/1405067506.db2.gz JDKPIRNFNANELY-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP C=CCC[C@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001698792016 1405067514 /nfs/dbraw/zinc/06/75/14/1405067514.db2.gz JDKPIRNFNANELY-DLBZAZTESA-N 2 1 339.524 2.136 10 30 EEEEMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001566560415 1125735070 /nfs/dbraw/zinc/73/50/70/1125735070.db2.gz LZRMWARHVGAAMG-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC001566560415 1125735077 /nfs/dbraw/zinc/73/50/77/1125735077.db2.gz LZRMWARHVGAAMG-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC001566560415 1125735080 /nfs/dbraw/zinc/73/50/80/1125735080.db2.gz LZRMWARHVGAAMG-GOSISDBHSA-N 2 1 346.450 2.120 10 30 EEEEMP C=C(Br)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001446300033 1092468027 /nfs/dbraw/zinc/46/80/27/1092468027.db2.gz RUIUYGUTLXZVOG-CHWSQXEVSA-N 2 1 344.297 2.006 10 30 EEEEMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001442131483 1096374225 /nfs/dbraw/zinc/37/42/25/1096374225.db2.gz RERYTBOECCVYEQ-HNNXBMFYSA-N 2 1 346.450 2.168 10 30 EEEEMP C[NH+](C)C1(C(=O)NCCC[N@H+](C)Cc2ccc(C#N)s2)CCC1 ZINC001479775234 1098952733 /nfs/dbraw/zinc/95/27/33/1098952733.db2.gz SFMHMGLZVCUVEQ-UHFFFAOYSA-N 2 1 334.489 2.042 10 30 EEEEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472624 1100280665 /nfs/dbraw/zinc/28/06/65/1100280665.db2.gz QNJZCFQDDDSXQG-YJBOKZPZSA-N 2 1 328.460 2.027 10 30 EEEEMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481004 1100289433 /nfs/dbraw/zinc/28/94/33/1100289433.db2.gz UZGLLXKUPSNZIN-KBPBESRZSA-N 2 1 334.489 2.088 10 30 EEEEMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001495445759 1101159064 /nfs/dbraw/zinc/15/90/64/1101159064.db2.gz GHOWDCRJNNZLAI-VAMGGRTRSA-N 2 1 339.483 2.149 10 30 EEEEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001498550290 1107704660 /nfs/dbraw/zinc/70/46/60/1107704660.db2.gz QMZRORWDMCVLTL-VQTJNVASSA-N 2 1 341.499 2.207 10 30 EEEEMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001493403185 1108084207 /nfs/dbraw/zinc/08/42/07/1108084207.db2.gz LHPUIXIXEXSFMI-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001493403185 1108084221 /nfs/dbraw/zinc/08/42/21/1108084221.db2.gz LHPUIXIXEXSFMI-MRXNPFEDSA-N 2 1 330.476 2.301 10 30 EEEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400383 1113343905 /nfs/dbraw/zinc/34/39/05/1113343905.db2.gz TXDAUYHIHDQECN-ZWKOTPCHSA-N 2 1 328.460 2.060 10 30 EEEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001501400383 1113343910 /nfs/dbraw/zinc/34/39/10/1113343910.db2.gz TXDAUYHIHDQECN-ZWKOTPCHSA-N 2 1 328.460 2.060 10 30 EEEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855125 1114919851 /nfs/dbraw/zinc/91/98/51/1114919851.db2.gz HIWVGVAYUVGQNR-KSZLIROESA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855125 1114919856 /nfs/dbraw/zinc/91/98/56/1114919856.db2.gz HIWVGVAYUVGQNR-KSZLIROESA-N 2 1 345.531 2.489 10 30 EEEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855125 1114919859 /nfs/dbraw/zinc/91/98/59/1114919859.db2.gz HIWVGVAYUVGQNR-KSZLIROESA-N 2 1 345.531 2.489 10 30 EEEEMP C=CCC[N@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001506867049 1114936023 /nfs/dbraw/zinc/93/60/23/1114936023.db2.gz ZKHHAWHYCJZTPE-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001506867049 1114936025 /nfs/dbraw/zinc/93/60/25/1114936025.db2.gz ZKHHAWHYCJZTPE-UHFFFAOYSA-N 2 1 330.476 2.472 10 30 EEEEMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938241 1114987387 /nfs/dbraw/zinc/98/73/87/1114987387.db2.gz NXVDMPLGIDNUHV-RTBURBONSA-N 2 1 341.499 2.254 10 30 EEEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001507362451 1115222693 /nfs/dbraw/zinc/22/26/93/1115222693.db2.gz HQTLHGJYCLWGFP-RCCFBDPRSA-N 2 1 330.476 2.374 10 30 EEEEMP C=CCOCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001568000948 1124224305 /nfs/dbraw/zinc/22/43/05/1124224305.db2.gz MCYFJLBCURYVDN-ZWKOTPCHSA-N 2 1 349.519 2.225 10 30 EEEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001569018973 1125044708 /nfs/dbraw/zinc/04/47/08/1125044708.db2.gz ZHSLGYKYXDERBC-QRQLOZEOSA-N 2 1 329.488 2.392 10 30 EEEEMP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508582 462708189 /nfs/dbraw/zinc/70/81/89/462708189.db2.gz CLMJBYUKWDCEAE-UHFFFAOYSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508582 462708191 /nfs/dbraw/zinc/70/81/91/462708191.db2.gz CLMJBYUKWDCEAE-UHFFFAOYSA-N 2 1 327.472 2.418 10 30 EEEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000261925879 463901118 /nfs/dbraw/zinc/90/11/18/463901118.db2.gz CEQHKFADAZOZMC-KRWDZBQOSA-N 2 1 331.460 2.071 10 30 EEEEMP Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000178750665 463962390 /nfs/dbraw/zinc/96/23/90/463962390.db2.gz YTSLMUYRVDEECI-CQSZACIVSA-N 2 1 329.429 2.228 10 30 EEEEMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535901 465786805 /nfs/dbraw/zinc/78/68/05/465786805.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 1 346.519 2.333 10 30 EEEEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436349 468585695 /nfs/dbraw/zinc/58/56/95/468585695.db2.gz DFMZMPSYQAEVCQ-RTBURBONSA-N 2 1 342.487 2.378 10 30 EEEEMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000594439385 468588101 /nfs/dbraw/zinc/58/81/01/468588101.db2.gz VHRNLWZLZSXSEK-MSOLQXFVSA-N 2 1 328.460 2.178 10 30 EEEEMP C[C@H](c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1)[NH+]1CCOCC1 ZINC000594439767 468588202 /nfs/dbraw/zinc/58/82/02/468588202.db2.gz ZJNCGELHOUZBJZ-CRAIPNDOSA-N 2 1 344.459 2.430 10 30 EEEEMP C=CC[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000625701632 470170445 /nfs/dbraw/zinc/17/04/45/470170445.db2.gz QSAHYQMLAMFNBA-SFHVURJKSA-N 2 1 349.519 2.036 10 30 EEEEMP C=CC[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000625701632 470170446 /nfs/dbraw/zinc/17/04/46/470170446.db2.gz QSAHYQMLAMFNBA-SFHVURJKSA-N 2 1 349.519 2.036 10 30 EEEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262806438 688519403 /nfs/dbraw/zinc/51/94/03/688519403.db2.gz SSKBKVKIACXLSF-IBGZPJMESA-N 2 1 336.524 2.329 10 30 EEEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905099030 694528908 /nfs/dbraw/zinc/52/89/08/694528908.db2.gz YDUQIPTUDIKBMQ-PMACEKPBSA-N 2 1 332.488 2.491 10 30 EEEEMP C=C(Br)CN1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485579556 1191846835 /nfs/dbraw/zinc/84/68/35/1191846835.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 1 346.313 2.063 10 30 EEEEMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485656119 1191874565 /nfs/dbraw/zinc/87/45/65/1191874565.db2.gz BXILHXIBVUSRGL-IPMKNSEASA-N 2 1 331.504 2.102 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001485663002 1191882924 /nfs/dbraw/zinc/88/29/24/1191882924.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 1 328.460 2.404 10 30 EEEEMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001485663002 1191882925 /nfs/dbraw/zinc/88/29/25/1191882925.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 1 328.460 2.404 10 30 EEEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001485663002 1191882926 /nfs/dbraw/zinc/88/29/26/1191882926.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 1 328.460 2.404 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001267184740 1178448691 /nfs/dbraw/zinc/44/86/91/1178448691.db2.gz FAAZKROBPPODPY-PKOBYXMFSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001267184737 1178448881 /nfs/dbraw/zinc/44/88/81/1178448881.db2.gz FAAZKROBPPODPY-HKUYNNGSSA-N 2 1 345.531 2.491 10 30 EEEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001267186304 1178452127 /nfs/dbraw/zinc/45/21/27/1178452127.db2.gz ZLQNQAJVEUBCPF-HZPDHXFCSA-N 2 1 330.476 2.247 10 30 EEEEMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001481201204 1180096249 /nfs/dbraw/zinc/09/62/49/1180096249.db2.gz WWAGLMXZWJMZMW-UHFFFAOYSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001481201204 1180096257 /nfs/dbraw/zinc/09/62/57/1180096257.db2.gz WWAGLMXZWJMZMW-UHFFFAOYSA-N 2 1 346.450 2.118 10 30 EEEEMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001481201204 1180096265 /nfs/dbraw/zinc/09/62/65/1180096265.db2.gz WWAGLMXZWJMZMW-UHFFFAOYSA-N 2 1 346.450 2.118 10 30 EEEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001481518725 1181629458 /nfs/dbraw/zinc/62/94/58/1181629458.db2.gz FVVCSKILUFMYIF-GOSISDBHSA-N 2 1 333.520 2.445 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001482055991 1183256940 /nfs/dbraw/zinc/25/69/40/1183256940.db2.gz SDEQPUCRTQNOMK-CRAIPNDOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001482055991 1183256943 /nfs/dbraw/zinc/25/69/43/1183256943.db2.gz SDEQPUCRTQNOMK-CRAIPNDOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482055991 1183256949 /nfs/dbraw/zinc/25/69/49/1183256949.db2.gz SDEQPUCRTQNOMK-CRAIPNDOSA-N 2 1 345.491 2.337 10 30 EEEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268856410 1183768897 /nfs/dbraw/zinc/76/88/97/1183768897.db2.gz JMHILZLALMNBBW-MOPGFXCFSA-N 2 1 329.488 2.346 10 30 EEEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001482199517 1183877976 /nfs/dbraw/zinc/87/79/76/1183877976.db2.gz GKZXLEXCQRBENJ-ROUUACIJSA-N 2 1 337.508 2.034 10 30 EEEEMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269621732 1184446838 /nfs/dbraw/zinc/44/68/38/1184446838.db2.gz MZACAMDMKKRQQU-UHFFFAOYSA-N 2 1 343.515 2.341 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccsc1 ZINC001482295662 1185158597 /nfs/dbraw/zinc/15/85/97/1185158597.db2.gz DQERCEVVOCOXRJ-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccsc1 ZINC001482295662 1185158601 /nfs/dbraw/zinc/15/86/01/1185158601.db2.gz DQERCEVVOCOXRJ-WMZOPIPTSA-N 2 1 347.528 2.215 10 30 EEEEMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271101890 1185888358 /nfs/dbraw/zinc/88/83/58/1185888358.db2.gz WFBDMIQFRHOBCW-OAHLLOKOSA-N 2 1 343.462 2.061 10 30 EEEEMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271101890 1185888366 /nfs/dbraw/zinc/88/83/66/1185888366.db2.gz WFBDMIQFRHOBCW-OAHLLOKOSA-N 2 1 343.462 2.061 10 30 EEEEMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271101890 1185888373 /nfs/dbraw/zinc/88/83/73/1185888373.db2.gz WFBDMIQFRHOBCW-OAHLLOKOSA-N 2 1 343.462 2.061 10 30 EEEEMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001271100696 1185888725 /nfs/dbraw/zinc/88/87/25/1185888725.db2.gz MUORLDCAVFJKDJ-MRXNPFEDSA-N 2 1 343.462 2.368 10 30 EEEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825007 1193464341 /nfs/dbraw/zinc/46/43/41/1193464341.db2.gz WWTRGXXNYCIHEU-RBUKOAKNSA-N 2 1 331.504 2.243 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001482841910 1187760883 /nfs/dbraw/zinc/76/08/83/1187760883.db2.gz QDJRAFPVVYJXOM-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001482841910 1187760888 /nfs/dbraw/zinc/76/08/88/1187760888.db2.gz QDJRAFPVVYJXOM-APWZRJJASA-N 2 1 345.462 2.216 10 30 EEEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001279150891 1187909022 /nfs/dbraw/zinc/90/90/22/1187909022.db2.gz YNPLFGLYRPYBHA-QUCCMNQESA-N 2 1 343.515 2.421 10 30 EEEEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691656448 1193601523 /nfs/dbraw/zinc/60/15/23/1193601523.db2.gz OZFRPEVOHHRBTH-VQTJNVASSA-N 2 1 341.499 2.254 10 30 EEEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483388234 1190429810 /nfs/dbraw/zinc/42/98/10/1190429810.db2.gz PFWHFJOQWXYCPK-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483388234 1190429811 /nfs/dbraw/zinc/42/98/11/1190429811.db2.gz PFWHFJOQWXYCPK-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483388234 1190429812 /nfs/dbraw/zinc/42/98/12/1190429812.db2.gz PFWHFJOQWXYCPK-UHOSZYNNSA-N 2 1 329.488 2.344 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678430 1190738095 /nfs/dbraw/zinc/73/80/95/1190738095.db2.gz AIJOJNSUEYNFJS-MOPGFXCFSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001483678430 1190738096 /nfs/dbraw/zinc/73/80/96/1190738096.db2.gz AIJOJNSUEYNFJS-MOPGFXCFSA-N 2 1 342.487 2.369 10 30 EEEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163935 1191251872 /nfs/dbraw/zinc/25/18/72/1191251872.db2.gz QJQHTMPUKLOOKG-LJQANCHMSA-N 2 1 331.504 2.104 10 30 EEEEMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[NH+]1CCCC1 ZINC001484768504 1191522937 /nfs/dbraw/zinc/52/29/37/1191522937.db2.gz SERCAAQQTOLHBK-UHFFFAOYSA-N 2 1 346.450 2.073 10 30 EEEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001484862901 1191554599 /nfs/dbraw/zinc/55/45/99/1191554599.db2.gz UMADUYNNDQDKIO-QGZVFWFLSA-N 2 1 337.508 2.080 10 30 EEEEMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001485442810 1191786863 /nfs/dbraw/zinc/78/68/63/1191786863.db2.gz BJSXDVUCJOZGTP-MJGOQNOKSA-N 2 1 349.519 2.177 10 30 EEEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734362 1199746329 /nfs/dbraw/zinc/74/63/29/1199746329.db2.gz CZRZSZPHAJZJNR-SJORKVTESA-N 2 1 335.879 2.485 10 30 EEEEMP C#CC[N@H+](C)CCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000883131179 1202018184 /nfs/dbraw/zinc/01/81/84/1202018184.db2.gz LUCBZEMBCMFODZ-UHFFFAOYSA-N 2 1 328.382 2.283 10 30 EEEEMP C#CC[N@@H+](C)CCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000883131179 1202018185 /nfs/dbraw/zinc/01/81/85/1202018185.db2.gz LUCBZEMBCMFODZ-UHFFFAOYSA-N 2 1 328.382 2.283 10 30 EEEEMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001274249393 1204974913 /nfs/dbraw/zinc/97/49/13/1204974913.db2.gz AJEAMDBWZHTZAO-QAPCUYQASA-N 2 1 346.475 2.287 10 30 EEEEMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001276227478 1205843968 /nfs/dbraw/zinc/84/39/68/1205843968.db2.gz UMHIRFHLCKLZGB-KRWDZBQOSA-N 2 1 342.487 2.186 10 30 EEEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001491172777 1258743235 /nfs/dbraw/zinc/74/32/35/1258743235.db2.gz JVMMDTUEINXOEK-SJORKVTESA-N 2 1 330.476 2.158 10 30 EEEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267891531 1276774590 /nfs/dbraw/zinc/77/45/90/1276774590.db2.gz QRPKQUCFZSCSJJ-RTBURBONSA-N 2 1 333.520 2.350 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001490673698 1291557745 /nfs/dbraw/zinc/55/77/45/1291557745.db2.gz HZVHOLYYMFHHJX-OALUTQOASA-N 2 1 331.504 2.149 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001490673698 1291557749 /nfs/dbraw/zinc/55/77/49/1291557749.db2.gz HZVHOLYYMFHHJX-OALUTQOASA-N 2 1 331.504 2.149 10 30 EEEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870824 1292223210 /nfs/dbraw/zinc/22/32/10/1292223210.db2.gz GSMKQRHEQFGMII-YLJYHZDGSA-N 2 1 339.483 2.016 10 30 EEEEMP C#CC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC001119320624 1309047018 /nfs/dbraw/zinc/04/70/18/1309047018.db2.gz VTPYDORZMMHVTO-FMNOTZITSA-N 2 1 334.504 2.236 10 30 EEEEMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001264593002 1322744147 /nfs/dbraw/zinc/74/41/47/1322744147.db2.gz ZJCUSKHAXKDWPH-WOJBJXKFSA-N 2 1 341.499 2.324 10 30 EEEEMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001264593002 1322744149 /nfs/dbraw/zinc/74/41/49/1322744149.db2.gz ZJCUSKHAXKDWPH-WOJBJXKFSA-N 2 1 341.499 2.324 10 30 EEEEMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001264593002 1322744154 /nfs/dbraw/zinc/74/41/54/1322744154.db2.gz ZJCUSKHAXKDWPH-WOJBJXKFSA-N 2 1 341.499 2.324 10 30 EEEEMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264593002 1322744159 /nfs/dbraw/zinc/74/41/59/1322744159.db2.gz ZJCUSKHAXKDWPH-WOJBJXKFSA-N 2 1 341.499 2.324 10 30 EEEEMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596138 1322745934 /nfs/dbraw/zinc/74/59/34/1322745934.db2.gz JMEZHAKWFUUZEB-QZTJIDSGSA-N 2 1 333.451 2.238 10 30 EEEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395434 1323127245 /nfs/dbraw/zinc/12/72/45/1323127245.db2.gz XAEPCWQNIAKKFQ-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265395434 1323127248 /nfs/dbraw/zinc/12/72/48/1323127248.db2.gz XAEPCWQNIAKKFQ-SJORKVTESA-N 2 1 330.476 2.110 10 30 EEEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007451 1323561247 /nfs/dbraw/zinc/56/12/47/1323561247.db2.gz YTGIQNPQQMEMMA-FUHWJXTLSA-N 2 1 330.476 2.354 10 30 EEEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266009121 1323561788 /nfs/dbraw/zinc/56/17/88/1323561788.db2.gz NOJYLVLXABTXFZ-PKOBYXMFSA-N 2 1 331.504 2.245 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC001266086592 1323643987 /nfs/dbraw/zinc/64/39/87/1323643987.db2.gz SXESRICEADKECU-UHFFFAOYSA-N 2 1 338.455 2.088 10 30 EEEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279631446 1323965509 /nfs/dbraw/zinc/96/55/09/1323965509.db2.gz WAJYTNLZDYVFFU-RBUKOAKNSA-N 2 1 331.504 2.199 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001280074457 1324076279 /nfs/dbraw/zinc/07/62/79/1324076279.db2.gz UWJZKYQSPMEJIE-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001280074457 1324076282 /nfs/dbraw/zinc/07/62/82/1324076282.db2.gz UWJZKYQSPMEJIE-PMACEKPBSA-N 2 1 345.531 2.493 10 30 EEEEMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281073088 1324753639 /nfs/dbraw/zinc/75/36/39/1324753639.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281073088 1324753645 /nfs/dbraw/zinc/75/36/45/1324753645.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 2 1 341.499 2.447 10 30 EEEEMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001281073088 1324753650 /nfs/dbraw/zinc/75/36/50/1324753650.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 2 1 341.499 2.447 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001281967521 1325542296 /nfs/dbraw/zinc/54/22/96/1325542296.db2.gz HUNDBVNCUGAQRX-OALUTQOASA-N 2 1 333.520 2.443 10 30 EEEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001282614668 1325752110 /nfs/dbraw/zinc/75/21/10/1325752110.db2.gz FFJWAFKQXKAEGT-QZTJIDSGSA-N 2 1 331.504 2.435 10 30 EEEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001316636671 1326824606 /nfs/dbraw/zinc/82/46/06/1326824606.db2.gz QPBRSLQLQLFOSY-AFYVEPGGSA-N 2 1 341.499 2.392 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001316797010 1331898601 /nfs/dbraw/zinc/89/86/01/1331898601.db2.gz YTCJGVRPWAHMTO-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001316797010 1331898604 /nfs/dbraw/zinc/89/86/04/1331898604.db2.gz YTCJGVRPWAHMTO-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316797010 1331898609 /nfs/dbraw/zinc/89/86/09/1331898609.db2.gz YTCJGVRPWAHMTO-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316797010 1331898613 /nfs/dbraw/zinc/89/86/13/1331898613.db2.gz YTCJGVRPWAHMTO-NEWSRXKRSA-N 2 1 327.472 2.282 10 30 EEEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001317369202 1332198624 /nfs/dbraw/zinc/19/86/24/1332198624.db2.gz WOXLRZLXSWIYTK-WOJBJXKFSA-N 2 1 339.483 2.085 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCC=C)C2)CC1 ZINC001317383759 1332208809 /nfs/dbraw/zinc/20/88/09/1332208809.db2.gz HEFYGWDCQMPPMX-IBGZPJMESA-N 2 1 331.504 2.221 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001317396211 1332213206 /nfs/dbraw/zinc/21/32/06/1332213206.db2.gz MNGZIDQMIPYUDZ-YOEHRIQHSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001317396211 1332213209 /nfs/dbraw/zinc/21/32/09/1332213209.db2.gz MNGZIDQMIPYUDZ-YOEHRIQHSA-N 2 1 349.425 2.047 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(CF)cc1 ZINC001320756450 1332946444 /nfs/dbraw/zinc/94/64/44/1332946444.db2.gz YSNPWEDBOSHORR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(CF)cc1 ZINC001320756450 1332946446 /nfs/dbraw/zinc/94/64/46/1332946446.db2.gz YSNPWEDBOSHORR-IBGZPJMESA-N 2 1 345.462 2.192 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001321875800 1333171640 /nfs/dbraw/zinc/17/16/40/1333171640.db2.gz JZZAHYGRNGUGLC-DAYGRLMNSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001321875800 1333171644 /nfs/dbraw/zinc/17/16/44/1333171644.db2.gz JZZAHYGRNGUGLC-DAYGRLMNSA-N 2 1 331.435 2.079 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F ZINC001322549703 1333281270 /nfs/dbraw/zinc/28/12/70/1333281270.db2.gz RCVYKIUSNUVDDU-KRWDZBQOSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F ZINC001322549703 1333281273 /nfs/dbraw/zinc/28/12/73/1333281273.db2.gz RCVYKIUSNUVDDU-KRWDZBQOSA-N 2 1 349.425 2.001 10 30 EEEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001325630242 1333928171 /nfs/dbraw/zinc/92/81/71/1333928171.db2.gz UFEOLCQUEOHREL-AKHDSKFASA-N 2 1 331.504 2.243 10 30 EEEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915064 1333993034 /nfs/dbraw/zinc/99/30/34/1333993034.db2.gz CFWUXWZRNLTEJC-MOPGFXCFSA-N 2 1 331.504 2.341 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329612401 1334684048 /nfs/dbraw/zinc/68/40/48/1334684048.db2.gz CJMOTKAFTPOEOT-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001329612401 1334684055 /nfs/dbraw/zinc/68/40/55/1334684055.db2.gz CJMOTKAFTPOEOT-INIZCTEOSA-N 2 1 347.890 2.224 10 30 EEEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741654 1334706100 /nfs/dbraw/zinc/70/61/00/1334706100.db2.gz JDOHTUDWUNQTLZ-XKJZPFPASA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741654 1334706102 /nfs/dbraw/zinc/70/61/02/1334706102.db2.gz JDOHTUDWUNQTLZ-XKJZPFPASA-N 2 1 339.911 2.299 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCC(=C)C)C(C)C)CC1 ZINC001332740254 1335895966 /nfs/dbraw/zinc/89/59/66/1335895966.db2.gz GIEZFKDWMKSIDS-UHFFFAOYSA-N 2 1 333.520 2.467 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC001564226888 1342547958 /nfs/dbraw/zinc/54/79/58/1342547958.db2.gz BNRGDWCYHDXLBN-LJQANCHMSA-N 2 1 348.535 2.141 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC001564226888 1342547960 /nfs/dbraw/zinc/54/79/60/1342547960.db2.gz BNRGDWCYHDXLBN-LJQANCHMSA-N 2 1 348.535 2.141 10 30 EEEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001570673597 1343100330 /nfs/dbraw/zinc/10/03/30/1343100330.db2.gz HCHSIIVARFHWEP-INIZCTEOSA-N 2 1 332.492 2.494 10 30 EEEEMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001676847352 1357220171 /nfs/dbraw/zinc/22/01/71/1357220171.db2.gz WYLFCDBFVBYVEI-RCCFBDPRSA-N 2 1 342.487 2.247 10 30 EEEEMP CC#CC[N@@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001677215654 1357295896 /nfs/dbraw/zinc/29/58/96/1357295896.db2.gz VIEWUHMNVFAAAY-UHFFFAOYSA-N 2 1 333.520 2.301 10 30 EEEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554670 1352631085 /nfs/dbraw/zinc/63/10/85/1352631085.db2.gz GBWZTMSZFGKYHZ-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001634554670 1352631093 /nfs/dbraw/zinc/63/10/93/1352631093.db2.gz GBWZTMSZFGKYHZ-RBUKOAKNSA-N 2 1 327.472 2.283 10 30 EEEEMP C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC)CC1 ZINC001649464500 1353519801 /nfs/dbraw/zinc/51/98/01/1353519801.db2.gz QWWRMQKTZGFAAO-KDURUIRLSA-N 2 1 349.519 2.129 10 30 EEEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001661213493 1354608827 /nfs/dbraw/zinc/60/88/27/1354608827.db2.gz SNTCWTYDGXJMRY-HKUYNNGSSA-N 2 1 333.520 2.465 10 30 EEEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235064 1354614384 /nfs/dbraw/zinc/61/43/84/1354614384.db2.gz DBXUFRCFSDFSSP-OALUTQOASA-N 2 1 333.520 2.301 10 30 EEEEMP C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001663201340 1354935540 /nfs/dbraw/zinc/93/55/40/1354935540.db2.gz PZSVFTPKBWHMJT-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001663201340 1354935542 /nfs/dbraw/zinc/93/55/42/1354935542.db2.gz PZSVFTPKBWHMJT-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001663201340 1354935543 /nfs/dbraw/zinc/93/55/43/1354935543.db2.gz PZSVFTPKBWHMJT-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001663201340 1354935545 /nfs/dbraw/zinc/93/55/45/1354935545.db2.gz PZSVFTPKBWHMJT-IBGZPJMESA-N 2 1 345.462 2.100 10 30 EEEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2ccc(C)cc2)CC1 ZINC001663461439 1354965062 /nfs/dbraw/zinc/96/50/62/1354965062.db2.gz MAGWBIVYOVKPBL-UHFFFAOYSA-N 2 1 341.499 2.278 10 30 EEEEMP C=C(C)C[N@H+](CCC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001663688119 1355016906 /nfs/dbraw/zinc/01/69/06/1355016906.db2.gz KYIHLSZXXGVMFG-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001663688119 1355016914 /nfs/dbraw/zinc/01/69/14/1355016914.db2.gz KYIHLSZXXGVMFG-UHFFFAOYSA-N 2 1 327.432 2.285 10 30 EEEEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N ZINC001670357945 1356326857 /nfs/dbraw/zinc/32/68/57/1356326857.db2.gz WYZPGSPNKYSXBA-LJQANCHMSA-N 2 1 342.487 2.371 10 30 EEEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671504355 1356352776 /nfs/dbraw/zinc/35/27/76/1356352776.db2.gz YPRNYVRNKHZZPE-UHFFFAOYSA-N 2 1 341.499 2.455 10 30 EEEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672447221 1356524617 /nfs/dbraw/zinc/52/46/17/1356524617.db2.gz JDTCIFBTBKAEDZ-OTWHNJEPSA-N 2 1 333.520 2.463 10 30 EEEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC001684077935 1358220970 /nfs/dbraw/zinc/22/09/70/1358220970.db2.gz OZQDWNYJYKLTHH-GOSISDBHSA-N 2 1 336.524 2.093 10 30 EEEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC001684077935 1358220973 /nfs/dbraw/zinc/22/09/73/1358220973.db2.gz OZQDWNYJYKLTHH-GOSISDBHSA-N 2 1 336.524 2.093 10 30 EEEEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001699551318 1405387608 /nfs/dbraw/zinc/38/76/08/1405387608.db2.gz OLWQTVQQROUMOO-CALCHBBNSA-N 2 1 342.487 2.369 10 30 EEEEMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001699554174 1405392979 /nfs/dbraw/zinc/39/29/79/1405392979.db2.gz MLEGFFFDSXCCIB-FQEVSTJZSA-N 2 1 341.499 2.351 10 30 EEEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941126843 779929988 /nfs/dbraw/zinc/92/99/88/779929988.db2.gz QBVHISZAZGPMKZ-QGZVFWFLSA-N 2 1 339.443 2.284 10 30 EEEEMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941126843 779929992 /nfs/dbraw/zinc/92/99/92/779929992.db2.gz QBVHISZAZGPMKZ-QGZVFWFLSA-N 2 1 339.443 2.284 10 30 EEEEMP