smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc[nH+]c1CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000159968604 455419306 /nfs/dbraw/zinc/41/93/06/455419306.db2.gz APYRYUIPYAESHC-UHFFFAOYSA-N 2 1 327.859 3.380 10 30 EGEEMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000153020522 454753451 /nfs/dbraw/zinc/75/34/51/454753451.db2.gz UHNKEUXWDUUURN-HNNXBMFYSA-N 2 1 345.487 3.345 10 30 EGEEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411868275 457996576 /nfs/dbraw/zinc/99/65/76/457996576.db2.gz JGTOQEKPKWGTOR-UHFFFAOYSA-N 2 1 348.878 3.004 10 30 EGEEMP N#Cc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000594520128 459076903 /nfs/dbraw/zinc/07/69/03/459076903.db2.gz ZQLWFYWVNUNKEK-HXUWFJFHSA-N 2 1 339.483 3.170 10 30 EGEEMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000595905590 459480890 /nfs/dbraw/zinc/48/08/90/459480890.db2.gz DUDUOOPMRLIXLL-GOSISDBHSA-N 2 1 329.488 3.030 10 30 EGEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000595905590 459480896 /nfs/dbraw/zinc/48/08/96/459480896.db2.gz DUDUOOPMRLIXLL-GOSISDBHSA-N 2 1 329.488 3.030 10 30 EGEEMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583114149 459484934 /nfs/dbraw/zinc/48/49/34/459484934.db2.gz XDOQHQHGZOUHCC-CQSZACIVSA-N 2 1 325.378 3.397 10 30 EGEEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583114149 459484941 /nfs/dbraw/zinc/48/49/41/459484941.db2.gz XDOQHQHGZOUHCC-CQSZACIVSA-N 2 1 325.378 3.397 10 30 EGEEMP N#CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000596651313 459714543 /nfs/dbraw/zinc/71/45/43/459714543.db2.gz MLOYESTXXFLYNW-PXNSSMCTSA-N 2 1 325.456 3.306 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785500 461895169 /nfs/dbraw/zinc/89/51/69/461895169.db2.gz KXKIBKRMYAZRSG-IBGZPJMESA-N 2 1 344.499 3.472 10 30 EGEEMP Cc1cc(C)c(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(C)[nH+]1 ZINC000871723572 1296502687 /nfs/dbraw/zinc/50/26/87/1296502687.db2.gz NXWLRZIXOIKDJU-UHFFFAOYSA-N 2 1 339.439 3.394 10 30 EGEEMP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCCO1 ZINC000883174525 1302285999 /nfs/dbraw/zinc/28/59/99/1302285999.db2.gz MMSFWYZFUHTMGN-MSOLQXFVSA-N 2 1 326.444 3.179 10 30 EGEEMP C=CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CCCO1 ZINC000883195798 1302299441 /nfs/dbraw/zinc/29/94/41/1302299441.db2.gz CNACTYJVZPLBBS-RTBURBONSA-N 2 1 344.503 3.166 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000921980955 1322434539 /nfs/dbraw/zinc/43/45/39/1322434539.db2.gz QVKNEMMFDKMOTB-NRFANRHFSA-N 2 1 349.478 3.032 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000921980958 1322434560 /nfs/dbraw/zinc/43/45/60/1322434560.db2.gz QVKNEMMFDKMOTB-OAQYLSRUSA-N 2 1 349.478 3.032 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075276 1331320824 /nfs/dbraw/zinc/32/08/24/1331320824.db2.gz JZQXRMOTSCWOJB-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075276 1331320829 /nfs/dbraw/zinc/32/08/29/1331320829.db2.gz JZQXRMOTSCWOJB-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075276 1331320835 /nfs/dbraw/zinc/32/08/35/1331320835.db2.gz JZQXRMOTSCWOJB-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092264 1331330053 /nfs/dbraw/zinc/33/00/53/1331330053.db2.gz CKXSUSFNAHXDTK-LJQANCHMSA-N 2 1 343.515 3.155 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001323148145 1387303014 /nfs/dbraw/zinc/30/30/14/1387303014.db2.gz JSFZAAQBDCSJSO-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001323721038 1387430033 /nfs/dbraw/zinc/43/00/33/1387430033.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 1 346.519 3.305 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001323721038 1387430036 /nfs/dbraw/zinc/43/00/36/1387430036.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 1 346.519 3.305 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001323721038 1387430028 /nfs/dbraw/zinc/43/00/28/1387430028.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 1 346.519 3.305 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899328 1388071955 /nfs/dbraw/zinc/07/19/55/1388071955.db2.gz OZIISSSGYWHQID-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149300 1388406918 /nfs/dbraw/zinc/40/69/18/1388406918.db2.gz XXGIQIYDVODSTO-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001327149300 1388406924 /nfs/dbraw/zinc/40/69/24/1388406924.db2.gz XXGIQIYDVODSTO-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001327149300 1388406928 /nfs/dbraw/zinc/40/69/28/1388406928.db2.gz XXGIQIYDVODSTO-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266659317 1377362144 /nfs/dbraw/zinc/36/21/44/1377362144.db2.gz NPVZILRNEQVLLJ-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266659317 1377362147 /nfs/dbraw/zinc/36/21/47/1377362147.db2.gz NPVZILRNEQVLLJ-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266659317 1377362148 /nfs/dbraw/zinc/36/21/48/1377362148.db2.gz NPVZILRNEQVLLJ-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001269855768 1377583148 /nfs/dbraw/zinc/58/31/48/1377583148.db2.gz LMUIPQQJRDDEIT-SFHVURJKSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001327478703 1388531162 /nfs/dbraw/zinc/53/11/62/1388531162.db2.gz LWRXFTUCYNPAHR-RTBURBONSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695943 1388585830 /nfs/dbraw/zinc/58/58/30/1388585830.db2.gz MAODISVRFXAVCN-OXJNMPFZSA-N 2 1 343.515 3.313 10 30 EGEEMP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284151129 1379545487 /nfs/dbraw/zinc/54/54/87/1379545487.db2.gz DOXWVVQTWZEKGJ-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284151129 1379545490 /nfs/dbraw/zinc/54/54/90/1379545490.db2.gz DOXWVVQTWZEKGJ-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001284536324 1379942960 /nfs/dbraw/zinc/94/29/60/1379942960.db2.gz HYMOWQKKHHBSHN-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001284536324 1379942963 /nfs/dbraw/zinc/94/29/63/1379942963.db2.gz HYMOWQKKHHBSHN-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001284536324 1379942967 /nfs/dbraw/zinc/94/29/67/1379942967.db2.gz HYMOWQKKHHBSHN-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001284920653 1380311861 /nfs/dbraw/zinc/31/18/61/1380311861.db2.gz IWZXPBOBTHNUCJ-FQEVSTJZSA-N 2 1 345.531 3.108 10 30 EGEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001284920653 1380311867 /nfs/dbraw/zinc/31/18/67/1380311867.db2.gz IWZXPBOBTHNUCJ-FQEVSTJZSA-N 2 1 345.531 3.108 10 30 EGEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001284920653 1380311872 /nfs/dbraw/zinc/31/18/72/1380311872.db2.gz IWZXPBOBTHNUCJ-FQEVSTJZSA-N 2 1 345.531 3.108 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328097632 1388669466 /nfs/dbraw/zinc/66/94/66/1388669466.db2.gz GXOQIVIYQJFDDA-GOSISDBHSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001316670534 1384513901 /nfs/dbraw/zinc/51/39/01/1384513901.db2.gz PGBZUUAGWDADTI-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001316698731 1384528947 /nfs/dbraw/zinc/52/89/47/1384528947.db2.gz KCDXDCVLVXGCKA-KURKYZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001316737220 1384552158 /nfs/dbraw/zinc/55/21/58/1384552158.db2.gz WKDSSSOVGIZHEK-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001316737220 1384552159 /nfs/dbraw/zinc/55/21/59/1384552159.db2.gz WKDSSSOVGIZHEK-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001316737220 1384552161 /nfs/dbraw/zinc/55/21/61/1384552161.db2.gz WKDSSSOVGIZHEK-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001316774007 1384572707 /nfs/dbraw/zinc/57/27/07/1384572707.db2.gz SCWFZFQKFQYZCH-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001316790462 1384584171 /nfs/dbraw/zinc/58/41/71/1384584171.db2.gz VBKDKKVINLADKF-YZGWKJHDSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001316790462 1384584175 /nfs/dbraw/zinc/58/41/75/1384584175.db2.gz VBKDKKVINLADKF-YZGWKJHDSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001316790462 1384584179 /nfs/dbraw/zinc/58/41/79/1384584179.db2.gz VBKDKKVINLADKF-YZGWKJHDSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317192487 1384966806 /nfs/dbraw/zinc/96/68/06/1384966806.db2.gz ODSOEHVJPGFUCQ-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317213596 1384994063 /nfs/dbraw/zinc/99/40/63/1384994063.db2.gz GIDVRSZIHLWRLK-WKWVNEEDSA-N 2 1 349.563 3.124 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521842 1385239956 /nfs/dbraw/zinc/23/99/56/1385239956.db2.gz FFATZBDSWRNOFL-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317869403 1385551526 /nfs/dbraw/zinc/55/15/26/1385551526.db2.gz BZJYPCMCBGNUQS-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001317869403 1385551530 /nfs/dbraw/zinc/55/15/30/1385551530.db2.gz BZJYPCMCBGNUQS-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001317869403 1385551531 /nfs/dbraw/zinc/55/15/31/1385551531.db2.gz BZJYPCMCBGNUQS-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317933773 1385574704 /nfs/dbraw/zinc/57/47/04/1385574704.db2.gz GRCJYYPLEGRLQR-DOTOQJQBSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317933773 1385574707 /nfs/dbraw/zinc/57/47/07/1385574707.db2.gz GRCJYYPLEGRLQR-DOTOQJQBSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001698627799 1406270397 /nfs/dbraw/zinc/27/03/97/1406270397.db2.gz VYNQXTNCCCRWJA-QZTJIDSGSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001319881891 1386358581 /nfs/dbraw/zinc/35/85/81/1386358581.db2.gz VIUZXTUOQVOJPM-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001319881891 1386358583 /nfs/dbraw/zinc/35/85/83/1386358583.db2.gz VIUZXTUOQVOJPM-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001319881891 1386358586 /nfs/dbraw/zinc/35/85/86/1386358586.db2.gz VIUZXTUOQVOJPM-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742954 1386972163 /nfs/dbraw/zinc/97/21/63/1386972163.db2.gz JOWZFHOHZPYGBO-WNRNVDISSA-N 2 1 340.602 3.422 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001330499000 1389431225 /nfs/dbraw/zinc/43/12/25/1389431225.db2.gz CPQFDJHXMHIGLT-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001330499000 1389431229 /nfs/dbraw/zinc/43/12/29/1389431229.db2.gz CPQFDJHXMHIGLT-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001330499000 1389431232 /nfs/dbraw/zinc/43/12/32/1389431232.db2.gz CPQFDJHXMHIGLT-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001331060507 1389615744 /nfs/dbraw/zinc/61/57/44/1389615744.db2.gz WLMDGGARUYIKMV-GOSISDBHSA-N 2 1 349.563 3.384 10 30 EGEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331440309 1389749594 /nfs/dbraw/zinc/74/95/94/1389749594.db2.gz RUUOPFGIXAPTCV-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001332099196 1389982468 /nfs/dbraw/zinc/98/24/68/1389982468.db2.gz HTVLVHFPLJYVHR-QUCCMNQESA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001332099196 1389982472 /nfs/dbraw/zinc/98/24/72/1389982472.db2.gz HTVLVHFPLJYVHR-QUCCMNQESA-N 2 1 346.519 3.275 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479745468 1392361387 /nfs/dbraw/zinc/36/13/87/1392361387.db2.gz LGTQJLXBWHCQCI-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480652225 1392837234 /nfs/dbraw/zinc/83/72/34/1392837234.db2.gz HLHMKBDQPLTJMR-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829939 1392969231 /nfs/dbraw/zinc/96/92/31/1392969231.db2.gz PXBXGCUGROQUNX-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001490597299 1394278669 /nfs/dbraw/zinc/27/86/69/1394278669.db2.gz OYTVNMPAFPJFFU-RTBURBONSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132097 1394445452 /nfs/dbraw/zinc/44/54/52/1394445452.db2.gz BJBTZCPWYJZSNJ-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132097 1394445457 /nfs/dbraw/zinc/44/54/57/1394445457.db2.gz BJBTZCPWYJZSNJ-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491192091 1394465086 /nfs/dbraw/zinc/46/50/86/1394465086.db2.gz ZDNDJGGPAIQVRH-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001491269397 1394497859 /nfs/dbraw/zinc/49/78/59/1394497859.db2.gz AUTUMKMMIKQCTQ-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001491360263 1394512022 /nfs/dbraw/zinc/51/20/22/1394512022.db2.gz DKNBQKKHKCAGRD-LMDPOFIKSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573611 1396039916 /nfs/dbraw/zinc/03/99/16/1396039916.db2.gz CYAFANBUHZUKQO-IRXDYDNUSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001505397390 1396284996 /nfs/dbraw/zinc/28/49/96/1396284996.db2.gz DQSQSDXQPOQZEC-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001505397390 1396284999 /nfs/dbraw/zinc/28/49/99/1396284999.db2.gz DQSQSDXQPOQZEC-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001505397390 1396285000 /nfs/dbraw/zinc/28/50/00/1396285000.db2.gz DQSQSDXQPOQZEC-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001689082959 1396882980 /nfs/dbraw/zinc/88/29/80/1396882980.db2.gz CBHIDHVTCXDKQH-QYZOEREBSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690216081 1404424076 /nfs/dbraw/zinc/42/40/76/1404424076.db2.gz IYASQYJRNOXIQX-VNTMZGSJSA-N 2 1 347.547 3.137 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001690493005 1404607176 /nfs/dbraw/zinc/60/71/76/1404607176.db2.gz XTPCXWUNOQVGRC-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493005 1404607184 /nfs/dbraw/zinc/60/71/84/1404607184.db2.gz XTPCXWUNOQVGRC-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493005 1404607187 /nfs/dbraw/zinc/60/71/87/1404607187.db2.gz XTPCXWUNOQVGRC-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086609 1405020206 /nfs/dbraw/zinc/02/02/06/1405020206.db2.gz UPYKIKRDTHMYGT-WBVHZDCISA-N 2 1 340.471 3.192 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691614401 1405358012 /nfs/dbraw/zinc/35/80/12/1405358012.db2.gz XJPMQVVPIYYGKW-MOPGFXCFSA-N 2 1 337.552 3.412 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691620613 1405361241 /nfs/dbraw/zinc/36/12/41/1405361241.db2.gz MIRBSJZZPWXVAR-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001691628736 1405366053 /nfs/dbraw/zinc/36/60/53/1405366053.db2.gz BHUYKKWLOPLXOM-WOJBJXKFSA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691637111 1405373100 /nfs/dbraw/zinc/37/31/00/1405373100.db2.gz SNGIEMGYKVEKKO-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001732324188 1428533159 /nfs/dbraw/zinc/53/31/59/1428533159.db2.gz AYVOARVAMLVJKD-UHFFFAOYSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699683684 1413079027 /nfs/dbraw/zinc/07/90/27/1413079027.db2.gz JFFMZNBYEPSMJK-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700089843 1413500836 /nfs/dbraw/zinc/50/08/36/1413500836.db2.gz GRARCEWEWSGGQV-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700089843 1413500838 /nfs/dbraw/zinc/50/08/38/1413500838.db2.gz GRARCEWEWSGGQV-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001700089843 1413500840 /nfs/dbraw/zinc/50/08/40/1413500840.db2.gz GRARCEWEWSGGQV-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001700328924 1413802398 /nfs/dbraw/zinc/80/23/98/1413802398.db2.gz FEEGRNREYVZLFE-HXUWFJFHSA-N 2 1 343.515 3.010 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700352683 1413847910 /nfs/dbraw/zinc/84/79/10/1413847910.db2.gz CZIDJZBKXCFJEB-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001700443251 1414016117 /nfs/dbraw/zinc/01/61/17/1414016117.db2.gz YQRHCVHZAFXVNS-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572155 1414242233 /nfs/dbraw/zinc/24/22/33/1414242233.db2.gz YGSXOUKRBBTRRH-KURKYZTESA-N 2 1 337.552 3.124 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572155 1414242234 /nfs/dbraw/zinc/24/22/34/1414242234.db2.gz YGSXOUKRBBTRRH-KURKYZTESA-N 2 1 337.552 3.124 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572155 1414242237 /nfs/dbraw/zinc/24/22/37/1414242237.db2.gz YGSXOUKRBBTRRH-KURKYZTESA-N 2 1 337.552 3.124 10 30 EGEEMP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001701007154 1414663803 /nfs/dbraw/zinc/66/38/03/1414663803.db2.gz FPXHKJFBJNYOHU-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001701012856 1414674048 /nfs/dbraw/zinc/67/40/48/1414674048.db2.gz BOOLMAAXTZOIIR-AZUAARDMSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001707267795 1417275162 /nfs/dbraw/zinc/27/51/62/1417275162.db2.gz JUCUYKWAUZFHIU-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001707267795 1417275163 /nfs/dbraw/zinc/27/51/63/1417275163.db2.gz JUCUYKWAUZFHIU-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001707267795 1417275165 /nfs/dbraw/zinc/27/51/65/1417275165.db2.gz JUCUYKWAUZFHIU-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713057189 1417611309 /nfs/dbraw/zinc/61/13/09/1417611309.db2.gz FBJLWZHXDKRZDL-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087033 1417633607 /nfs/dbraw/zinc/63/36/07/1417633607.db2.gz BUSBJZLRGDHOIE-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713087033 1417633608 /nfs/dbraw/zinc/63/36/08/1417633608.db2.gz BUSBJZLRGDHOIE-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713087033 1417633609 /nfs/dbraw/zinc/63/36/09/1417633609.db2.gz BUSBJZLRGDHOIE-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713088091 1417635421 /nfs/dbraw/zinc/63/54/21/1417635421.db2.gz WXAHMLHNZQQQQH-IBGZPJMESA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713266977 1417875907 /nfs/dbraw/zinc/87/59/07/1417875907.db2.gz OYGRGUNOXKITLU-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713433996 1418063561 /nfs/dbraw/zinc/06/35/61/1418063561.db2.gz AKKZPBIHVYJEBF-KRWDZBQOSA-N 2 1 340.471 3.193 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720086 1418491445 /nfs/dbraw/zinc/49/14/45/1418491445.db2.gz NUDJMCIULBWVKZ-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753483 1418555714 /nfs/dbraw/zinc/55/57/14/1418555714.db2.gz MLVWNTFZQQVEBY-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713753483 1418555715 /nfs/dbraw/zinc/55/57/15/1418555715.db2.gz MLVWNTFZQQVEBY-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713753483 1418555718 /nfs/dbraw/zinc/55/57/18/1418555718.db2.gz MLVWNTFZQQVEBY-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001713804828 1418617956 /nfs/dbraw/zinc/61/79/56/1418617956.db2.gz AMOQGHJKTKZMGD-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001713804828 1418617961 /nfs/dbraw/zinc/61/79/61/1418617961.db2.gz AMOQGHJKTKZMGD-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001713804828 1418617968 /nfs/dbraw/zinc/61/79/68/1418617968.db2.gz AMOQGHJKTKZMGD-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001713951609 1418735772 /nfs/dbraw/zinc/73/57/72/1418735772.db2.gz GNOIKALJXODVLU-MKXGPGLRSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001714043887 1418835645 /nfs/dbraw/zinc/83/56/45/1418835645.db2.gz DJPSOKHMEODMMD-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043887 1418835648 /nfs/dbraw/zinc/83/56/48/1418835648.db2.gz DJPSOKHMEODMMD-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043887 1418835654 /nfs/dbraw/zinc/83/56/54/1418835654.db2.gz DJPSOKHMEODMMD-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714448467 1419180846 /nfs/dbraw/zinc/18/08/46/1419180846.db2.gz KDQKEEUSJGWYFH-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714448467 1419180848 /nfs/dbraw/zinc/18/08/48/1419180848.db2.gz KDQKEEUSJGWYFH-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714448467 1419180850 /nfs/dbraw/zinc/18/08/50/1419180850.db2.gz KDQKEEUSJGWYFH-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716063631 1420523149 /nfs/dbraw/zinc/52/31/49/1420523149.db2.gz PLKYRUWGTWEQHJ-WMZOPIPTSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001716715046 1420870811 /nfs/dbraw/zinc/87/08/11/1420870811.db2.gz JSKQMNWLTCFCLN-HDICACEKSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001716715046 1420870814 /nfs/dbraw/zinc/87/08/14/1420870814.db2.gz JSKQMNWLTCFCLN-HDICACEKSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001716715046 1420870817 /nfs/dbraw/zinc/87/08/17/1420870817.db2.gz JSKQMNWLTCFCLN-HDICACEKSA-N 2 1 347.547 3.138 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716846184 1420973712 /nfs/dbraw/zinc/97/37/12/1420973712.db2.gz KTNIXSRIJXNORH-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846184 1420973714 /nfs/dbraw/zinc/97/37/14/1420973714.db2.gz KTNIXSRIJXNORH-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846184 1420973717 /nfs/dbraw/zinc/97/37/17/1420973717.db2.gz KTNIXSRIJXNORH-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001716868896 1420996953 /nfs/dbraw/zinc/99/69/53/1420996953.db2.gz DGFVNSFJYKJZAY-OAQYLSRUSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717042040 1421096428 /nfs/dbraw/zinc/09/64/28/1421096428.db2.gz DEQWKKLQJVACGO-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717042040 1421096430 /nfs/dbraw/zinc/09/64/30/1421096430.db2.gz DEQWKKLQJVACGO-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717042040 1421096431 /nfs/dbraw/zinc/09/64/31/1421096431.db2.gz DEQWKKLQJVACGO-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717116501 1421120888 /nfs/dbraw/zinc/12/08/88/1421120888.db2.gz KPOMKFGKHTVFQT-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001717116501 1421120890 /nfs/dbraw/zinc/12/08/90/1421120890.db2.gz KPOMKFGKHTVFQT-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001717116501 1421120891 /nfs/dbraw/zinc/12/08/91/1421120891.db2.gz KPOMKFGKHTVFQT-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC001733290113 1429468660 /nfs/dbraw/zinc/46/86/60/1429468660.db2.gz BNVZQFNEVLFTRL-QGZVFWFLSA-N 2 1 344.503 3.012 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001717516053 1421453183 /nfs/dbraw/zinc/45/31/83/1421453183.db2.gz ZNHOJBPVVIJXPH-FHWLQOOXSA-N 2 1 337.552 3.146 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001717624388 1421533184 /nfs/dbraw/zinc/53/31/84/1421533184.db2.gz QRLZOHXJYYBEMT-XUVXKRRUSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001717627006 1421535701 /nfs/dbraw/zinc/53/57/01/1421535701.db2.gz KWEVXGNJFAZPQS-XUVXKRRUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724322690 1424809085 /nfs/dbraw/zinc/80/90/85/1424809085.db2.gz GTMULONIEZQDHE-FQEVSTJZSA-N 2 1 340.471 3.051 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724740960 1425105591 /nfs/dbraw/zinc/10/55/91/1425105591.db2.gz MRIFNPCNZSWFEO-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001724740960 1425105601 /nfs/dbraw/zinc/10/56/01/1425105601.db2.gz MRIFNPCNZSWFEO-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001724740960 1425105613 /nfs/dbraw/zinc/10/56/13/1425105613.db2.gz MRIFNPCNZSWFEO-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001724742897 1425109763 /nfs/dbraw/zinc/10/97/63/1425109763.db2.gz CTQCYYDJJSLZDB-VQIMIIECSA-N 2 1 329.488 3.014 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724754992 1425125731 /nfs/dbraw/zinc/12/57/31/1425125731.db2.gz VANWLZPSXRJRSA-LWYYNNOASA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001724968258 1425365170 /nfs/dbraw/zinc/36/51/70/1425365170.db2.gz ZYDIOCPANJETDG-GOSISDBHSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001725210059 1425769540 /nfs/dbraw/zinc/76/95/40/1425769540.db2.gz DHCHSLLFQDUJDM-VQTJNVASSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001725227754 1425797455 /nfs/dbraw/zinc/79/74/55/1425797455.db2.gz BLLPVIXRMTYQJV-RTBURBONSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001725423121 1426077773 /nfs/dbraw/zinc/07/77/73/1426077773.db2.gz RPWKNGDRIZAKTQ-UHFFFAOYSA-N 2 1 340.471 3.145 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001725640793 1426317743 /nfs/dbraw/zinc/31/77/43/1426317743.db2.gz YPIGEDIZBUFDEK-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418310 1427392334 /nfs/dbraw/zinc/39/23/34/1427392334.db2.gz VIAVPHPRUXOVOQ-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470936 1427450483 /nfs/dbraw/zinc/45/04/83/1427450483.db2.gz MEYLMUOFSKNTAQ-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001731535870 1427531892 /nfs/dbraw/zinc/53/18/92/1427531892.db2.gz JRQWQJFJQOINFK-KRWDZBQOSA-N 2 1 349.544 3.360 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001731535870 1427531895 /nfs/dbraw/zinc/53/18/95/1427531895.db2.gz JRQWQJFJQOINFK-KRWDZBQOSA-N 2 1 349.544 3.360 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731536966 1427535938 /nfs/dbraw/zinc/53/59/38/1427535938.db2.gz PLYSLWZMUVJILC-PMACEKPBSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553842 1427577809 /nfs/dbraw/zinc/57/78/09/1427577809.db2.gz YYKPMHNIBAOZCL-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001731564198 1427602221 /nfs/dbraw/zinc/60/22/21/1427602221.db2.gz KNGVBWFGAMUIRX-UHZRXMQZSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001731564198 1427602227 /nfs/dbraw/zinc/60/22/27/1427602227.db2.gz KNGVBWFGAMUIRX-UHZRXMQZSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001731564198 1427602229 /nfs/dbraw/zinc/60/22/29/1427602229.db2.gz KNGVBWFGAMUIRX-UHZRXMQZSA-N 2 1 347.547 3.020 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001731995304 1428203833 /nfs/dbraw/zinc/20/38/33/1428203833.db2.gz FPUFKSLKJLWHJL-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733764233 1429984124 /nfs/dbraw/zinc/98/41/24/1429984124.db2.gz FUFWPOLERLMPBY-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764233 1429984130 /nfs/dbraw/zinc/98/41/30/1429984130.db2.gz FUFWPOLERLMPBY-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764233 1429984132 /nfs/dbraw/zinc/98/41/32/1429984132.db2.gz FUFWPOLERLMPBY-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192460 1437933813 /nfs/dbraw/zinc/93/38/13/1437933813.db2.gz FIEOGXREJDHHQT-OTWHNJEPSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192460 1437933816 /nfs/dbraw/zinc/93/38/16/1437933816.db2.gz FIEOGXREJDHHQT-OTWHNJEPSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192460 1437933817 /nfs/dbraw/zinc/93/38/17/1437933817.db2.gz FIEOGXREJDHHQT-OTWHNJEPSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001734304567 1438035882 /nfs/dbraw/zinc/03/58/82/1438035882.db2.gz KXDLCYKOQSUBHN-PMACEKPBSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001734549871 1438146550 /nfs/dbraw/zinc/14/65/50/1438146550.db2.gz ANLLJYKWOUCZEI-UHFFFAOYSA-N 2 1 328.460 3.001 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943814 1440117406 /nfs/dbraw/zinc/11/74/06/1440117406.db2.gz HEXRZOKPCNWCNM-PKOBYXMFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001750945565 1440118499 /nfs/dbraw/zinc/11/84/99/1440118499.db2.gz SEOMPKAOSJNEHI-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[C@H]21 ZINC000367616024 168249635 /nfs/dbraw/zinc/24/96/35/168249635.db2.gz MXKIYEHVKCBFKP-GBESFXJTSA-N 2 1 329.513 3.254 10 30 EGEEMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187806 270049153 /nfs/dbraw/zinc/04/91/53/270049153.db2.gz MUMUNAQAPFKOKL-NRFANRHFSA-N 2 1 334.467 3.490 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054044 458327131 /nfs/dbraw/zinc/32/71/31/458327131.db2.gz PLMVPHRCCMBXJH-MSOLQXFVSA-N 2 1 330.472 3.093 10 30 EGEEMP N#CCCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502219 458393636 /nfs/dbraw/zinc/39/36/36/458393636.db2.gz GAVNZFAOJJVLRT-UHFFFAOYSA-N 2 1 346.906 3.230 10 30 EGEEMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069834 459236512 /nfs/dbraw/zinc/23/65/12/459236512.db2.gz LEQAQWKHKKHOGC-YADHBBJMSA-N 2 1 349.478 3.366 10 30 EGEEMP N#CC(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000618275874 459951111 /nfs/dbraw/zinc/95/11/11/459951111.db2.gz DXJPWGRMBVZOGO-OALUTQOASA-N 2 1 331.463 3.038 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000876719247 1298937498 /nfs/dbraw/zinc/93/74/98/1298937498.db2.gz GQLYSZCHHHGCAF-KSSFIOAISA-N 2 1 349.906 3.005 10 30 EGEEMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883177798 1302286847 /nfs/dbraw/zinc/28/68/47/1302286847.db2.gz IWXOZVXNNYNMAW-FPOVZHCZSA-N 2 1 344.499 3.025 10 30 EGEEMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1Cc2ccccc2O1 ZINC000883189973 1302296757 /nfs/dbraw/zinc/29/67/57/1302296757.db2.gz SGASWDVMLKFPBK-AZUAARDMSA-N 2 1 344.499 3.025 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334858 1328739601 /nfs/dbraw/zinc/73/96/01/1328739601.db2.gz SITAVKPILNVGOC-PMACEKPBSA-N 2 1 326.484 3.202 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334858 1328739603 /nfs/dbraw/zinc/73/96/03/1328739603.db2.gz SITAVKPILNVGOC-PMACEKPBSA-N 2 1 326.484 3.202 10 30 EGEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000865847392 1329745059 /nfs/dbraw/zinc/74/50/59/1329745059.db2.gz DBKKOBJYUDNOHX-JOCHJYFZSA-N 2 1 331.463 3.280 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075495 1331321824 /nfs/dbraw/zinc/32/18/24/1331321824.db2.gz NCBHYBTULKTYBI-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645152 1387416504 /nfs/dbraw/zinc/41/65/04/1387416504.db2.gz XUVXOKIGNDFBCJ-RBUKOAKNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645152 1387416505 /nfs/dbraw/zinc/41/65/05/1387416505.db2.gz XUVXOKIGNDFBCJ-RBUKOAKNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001323684241 1387422273 /nfs/dbraw/zinc/42/22/73/1387422273.db2.gz KSDPVLIFVPOQDP-MOPGFXCFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001323860413 1387480875 /nfs/dbraw/zinc/48/08/75/1387480875.db2.gz RHWUKOMFTGLTGK-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001323860413 1387480877 /nfs/dbraw/zinc/48/08/77/1387480877.db2.gz RHWUKOMFTGLTGK-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001323860413 1387480879 /nfs/dbraw/zinc/48/08/79/1387480879.db2.gz RHWUKOMFTGLTGK-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001324334387 1387596519 /nfs/dbraw/zinc/59/65/19/1387596519.db2.gz KLPQGKUZOPDVCM-SFHVURJKSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325919286 1388082685 /nfs/dbraw/zinc/08/26/85/1388082685.db2.gz HSFKJACNKZDWSG-XUVXKRRUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266884376 1377400114 /nfs/dbraw/zinc/40/01/14/1377400114.db2.gz OIWQNORZPVFFPG-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001267582432 1377461339 /nfs/dbraw/zinc/46/13/39/1377461339.db2.gz ISFYYPUBSBNGEG-MRXNPFEDSA-N 2 1 349.544 3.170 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001268045127 1377483617 /nfs/dbraw/zinc/48/36/17/1377483617.db2.gz RPWMNUGOPVZPDF-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001274434066 1378124715 /nfs/dbraw/zinc/12/47/15/1378124715.db2.gz ASIKDQRNKADDOZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001282648663 1378523274 /nfs/dbraw/zinc/52/32/74/1378523274.db2.gz ZBIYIWKLIFVMBT-AZUAARDMSA-N 2 1 347.547 3.071 10 30 EGEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001282648667 1378523544 /nfs/dbraw/zinc/52/35/44/1378523544.db2.gz ZBIYIWKLIFVMBT-UYAOXDASSA-N 2 1 347.547 3.071 10 30 EGEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001282648664 1378523588 /nfs/dbraw/zinc/52/35/88/1378523588.db2.gz ZBIYIWKLIFVMBT-ICSRJNTNSA-N 2 1 347.547 3.071 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001284536323 1379942995 /nfs/dbraw/zinc/94/29/95/1379942995.db2.gz HYMOWQKKHHBSHN-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001284536323 1379942999 /nfs/dbraw/zinc/94/29/99/1379942999.db2.gz HYMOWQKKHHBSHN-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001284536323 1379943006 /nfs/dbraw/zinc/94/30/06/1379943006.db2.gz HYMOWQKKHHBSHN-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001328754033 1388845909 /nfs/dbraw/zinc/84/59/09/1388845909.db2.gz YUJLWDHXGNJFFH-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001328754033 1388845914 /nfs/dbraw/zinc/84/59/14/1388845914.db2.gz YUJLWDHXGNJFFH-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001328754033 1388845919 /nfs/dbraw/zinc/84/59/19/1388845919.db2.gz YUJLWDHXGNJFFH-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP N#CC1(c2ccccc2)CC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC001329024363 1388934134 /nfs/dbraw/zinc/93/41/34/1388934134.db2.gz QTTJRJKLDFLFLN-UHFFFAOYSA-N 2 1 335.495 3.354 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317036516 1384807687 /nfs/dbraw/zinc/80/76/87/1384807687.db2.gz GBSGRYHNEXVEHR-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106029 1384870676 /nfs/dbraw/zinc/87/06/76/1384870676.db2.gz QCOVSRDAIDPKJK-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001317175791 1384946866 /nfs/dbraw/zinc/94/68/66/1384946866.db2.gz GOCFEMPEIFDNPG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317175791 1384946871 /nfs/dbraw/zinc/94/68/71/1384946871.db2.gz GOCFEMPEIFDNPG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317175791 1384946875 /nfs/dbraw/zinc/94/68/75/1384946875.db2.gz GOCFEMPEIFDNPG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317175791 1384946878 /nfs/dbraw/zinc/94/68/78/1384946878.db2.gz GOCFEMPEIFDNPG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317213595 1384993928 /nfs/dbraw/zinc/99/39/28/1384993928.db2.gz GIDVRSZIHLWRLK-UEDWAMCQSA-N 2 1 349.563 3.124 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001317880627 1385559420 /nfs/dbraw/zinc/55/94/20/1385559420.db2.gz ZFMBUGLIXDQMNO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001317880627 1385559422 /nfs/dbraw/zinc/55/94/22/1385559422.db2.gz ZFMBUGLIXDQMNO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001317880627 1385559424 /nfs/dbraw/zinc/55/94/24/1385559424.db2.gz ZFMBUGLIXDQMNO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317933774 1385574490 /nfs/dbraw/zinc/57/44/90/1385574490.db2.gz GRCJYYPLEGRLQR-NVXWUHKLSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317933774 1385574492 /nfs/dbraw/zinc/57/44/92/1385574492.db2.gz GRCJYYPLEGRLQR-NVXWUHKLSA-N 2 1 349.544 3.359 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651951 1386234300 /nfs/dbraw/zinc/23/43/00/1386234300.db2.gz SGPPBQHNFVKXIA-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001329256629 1389037857 /nfs/dbraw/zinc/03/78/57/1389037857.db2.gz ISEJMXWNTKBJNM-LMDPOFIKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001329256630 1389038219 /nfs/dbraw/zinc/03/82/19/1389038219.db2.gz ISEJMXWNTKBJNM-VIQWUECVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001329893100 1389248711 /nfs/dbraw/zinc/24/87/11/1389248711.db2.gz LHYUWDAMODSJRJ-VQIMIIECSA-N 2 1 341.515 3.040 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940573 1389268496 /nfs/dbraw/zinc/26/84/96/1389268496.db2.gz YLZQMXAFYOSUEK-IBGZPJMESA-N 2 1 346.519 3.299 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940573 1389268500 /nfs/dbraw/zinc/26/85/00/1389268500.db2.gz YLZQMXAFYOSUEK-IBGZPJMESA-N 2 1 346.519 3.299 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001479612481 1392287263 /nfs/dbraw/zinc/28/72/63/1392287263.db2.gz JRCNYLSKDYFLNL-MISYRCLQSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001479895500 1392464187 /nfs/dbraw/zinc/46/41/87/1392464187.db2.gz WCRIKQCHGIGDBR-UHFFFAOYSA-N 2 1 334.508 3.085 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001480403534 1392741858 /nfs/dbraw/zinc/74/18/58/1392741858.db2.gz QIZJOELBDXMXMS-AFMYVXGZSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480828336 1392967421 /nfs/dbraw/zinc/96/74/21/1392967421.db2.gz OUXOSZRRDPHGAG-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480828336 1392967423 /nfs/dbraw/zinc/96/74/23/1392967423.db2.gz OUXOSZRRDPHGAG-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480828336 1392967429 /nfs/dbraw/zinc/96/74/29/1392967429.db2.gz OUXOSZRRDPHGAG-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001490768151 1394330777 /nfs/dbraw/zinc/33/07/77/1394330777.db2.gz JKWMEJCXHJULHI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001490768151 1394330784 /nfs/dbraw/zinc/33/07/84/1394330784.db2.gz JKWMEJCXHJULHI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001490768151 1394330786 /nfs/dbraw/zinc/33/07/86/1394330786.db2.gz JKWMEJCXHJULHI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001482423060 1394984698 /nfs/dbraw/zinc/98/46/98/1394984698.db2.gz IHWFTMFFMYWGPC-PKOBYXMFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690046182 1404280246 /nfs/dbraw/zinc/28/02/46/1404280246.db2.gz ABGRZAXCQQFDNV-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001690151975 1404351579 /nfs/dbraw/zinc/35/15/79/1404351579.db2.gz WWKQODHMMOWSCS-AZUAARDMSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001690448669 1404573308 /nfs/dbraw/zinc/57/33/08/1404573308.db2.gz OLSAQLRTBXVHGU-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001690448669 1404573310 /nfs/dbraw/zinc/57/33/10/1404573310.db2.gz OLSAQLRTBXVHGU-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001690448669 1404573311 /nfs/dbraw/zinc/57/33/11/1404573311.db2.gz OLSAQLRTBXVHGU-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001690448669 1404573321 /nfs/dbraw/zinc/57/33/21/1404573321.db2.gz OLSAQLRTBXVHGU-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690826608 1404764529 /nfs/dbraw/zinc/76/45/29/1404764529.db2.gz KPJNHZVMDDHPDJ-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001691677891 1405411747 /nfs/dbraw/zinc/41/17/47/1405411747.db2.gz JGHRKACTLHSBBM-FXAWDEMLSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001691682883 1405418143 /nfs/dbraw/zinc/41/81/43/1405418143.db2.gz MHVHSBHSJBGEJP-QGZVFWFLSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001692161580 1405813055 /nfs/dbraw/zinc/81/30/55/1405813055.db2.gz QTXPAZIOLBAXCO-QYZOEREBSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692161580 1405813060 /nfs/dbraw/zinc/81/30/60/1405813060.db2.gz QTXPAZIOLBAXCO-QYZOEREBSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692161580 1405813065 /nfs/dbraw/zinc/81/30/65/1405813065.db2.gz QTXPAZIOLBAXCO-QYZOEREBSA-N 2 1 335.536 3.185 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001692203766 1405842105 /nfs/dbraw/zinc/84/21/05/1405842105.db2.gz SCHJZBBWRVLTDC-IBGZPJMESA-N 2 1 335.536 3.164 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001692203766 1405842109 /nfs/dbraw/zinc/84/21/09/1405842109.db2.gz SCHJZBBWRVLTDC-IBGZPJMESA-N 2 1 335.536 3.164 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732182567 1428430294 /nfs/dbraw/zinc/43/02/94/1428430294.db2.gz PHUIEDYTOZTGQL-SFHVURJKSA-N 2 1 340.471 3.145 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001732313752 1428525739 /nfs/dbraw/zinc/52/57/39/1428525739.db2.gz XASOBLNHLVROKC-VJANTYMQSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001699687288 1413087278 /nfs/dbraw/zinc/08/72/78/1413087278.db2.gz BNHLJJIYCDJEJM-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001699687288 1413087283 /nfs/dbraw/zinc/08/72/83/1413087283.db2.gz BNHLJJIYCDJEJM-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001699687288 1413087285 /nfs/dbraw/zinc/08/72/85/1413087285.db2.gz BNHLJJIYCDJEJM-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001699977988 1413421665 /nfs/dbraw/zinc/42/16/65/1413421665.db2.gz YSJAUNSROAMFFL-OKYOBFRVSA-N 2 1 335.536 3.041 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001699977988 1413421667 /nfs/dbraw/zinc/42/16/67/1413421667.db2.gz YSJAUNSROAMFFL-OKYOBFRVSA-N 2 1 335.536 3.041 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183447 1413599168 /nfs/dbraw/zinc/59/91/68/1413599168.db2.gz DUNAOIJOIILIAA-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700435079 1414001238 /nfs/dbraw/zinc/00/12/38/1414001238.db2.gz ZHHVQNCNKLLGPS-ACBHZAAOSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700526033 1414186894 /nfs/dbraw/zinc/18/68/94/1414186894.db2.gz VPKAEMLMJNQYBA-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700526033 1414186895 /nfs/dbraw/zinc/18/68/95/1414186895.db2.gz VPKAEMLMJNQYBA-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700526033 1414186897 /nfs/dbraw/zinc/18/68/97/1414186897.db2.gz VPKAEMLMJNQYBA-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573284 1414244545 /nfs/dbraw/zinc/24/45/45/1414244545.db2.gz UGVMBJHCWOCLPC-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573284 1414244550 /nfs/dbraw/zinc/24/45/50/1414244550.db2.gz UGVMBJHCWOCLPC-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573284 1414244552 /nfs/dbraw/zinc/24/45/52/1414244552.db2.gz UGVMBJHCWOCLPC-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001713052846 1417605041 /nfs/dbraw/zinc/60/50/41/1417605041.db2.gz QWAFRDVASDDWLU-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001713442089 1418078180 /nfs/dbraw/zinc/07/81/80/1418078180.db2.gz GDJCSXCNALFXNJ-FQEVSTJZSA-N 2 1 343.515 3.299 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561013 1418360304 /nfs/dbraw/zinc/36/03/04/1418360304.db2.gz BFLLLSNLSXNKDJ-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713561013 1418360309 /nfs/dbraw/zinc/36/03/09/1418360309.db2.gz BFLLLSNLSXNKDJ-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001713561013 1418360311 /nfs/dbraw/zinc/36/03/11/1418360311.db2.gz BFLLLSNLSXNKDJ-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714118475 1418923237 /nfs/dbraw/zinc/92/32/37/1418923237.db2.gz SHCNPKVJWPUVHR-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001733202885 1429308683 /nfs/dbraw/zinc/30/86/83/1429308683.db2.gz WBDJZQCBLDLKLB-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714439439 1419170969 /nfs/dbraw/zinc/17/09/69/1419170969.db2.gz RJOIBOCWAVDZCR-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714439439 1419170970 /nfs/dbraw/zinc/17/09/70/1419170970.db2.gz RJOIBOCWAVDZCR-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714439439 1419170974 /nfs/dbraw/zinc/17/09/74/1419170974.db2.gz RJOIBOCWAVDZCR-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001714845093 1419557395 /nfs/dbraw/zinc/55/73/95/1419557395.db2.gz ISTNHGYHPCYNLV-MSOLQXFVSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001714845093 1419557398 /nfs/dbraw/zinc/55/73/98/1419557398.db2.gz ISTNHGYHPCYNLV-MSOLQXFVSA-N 2 1 349.906 3.060 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031924 1419764472 /nfs/dbraw/zinc/76/44/72/1419764472.db2.gz VFNMAYCUBYFPBM-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716516072 1420745665 /nfs/dbraw/zinc/74/56/65/1420745665.db2.gz MWRWJTPUWIUPHM-ICSRJNTNSA-N 2 1 349.563 3.482 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716777393 1420917561 /nfs/dbraw/zinc/91/75/61/1420917561.db2.gz JUDTWVOBLHWXRO-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001716888316 1421011889 /nfs/dbraw/zinc/01/18/89/1421011889.db2.gz UGOFPMOPAOUBHV-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001733287696 1429463815 /nfs/dbraw/zinc/46/38/15/1429463815.db2.gz RJGQLMWMJRQRMS-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287696 1429463818 /nfs/dbraw/zinc/46/38/18/1429463818.db2.gz RJGQLMWMJRQRMS-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287696 1429463819 /nfs/dbraw/zinc/46/38/19/1429463819.db2.gz RJGQLMWMJRQRMS-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001717334714 1421271350 /nfs/dbraw/zinc/27/13/50/1421271350.db2.gz YJUDWWAIWVAJOM-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001717536972 1421475072 /nfs/dbraw/zinc/47/50/72/1421475072.db2.gz UPMZOKNNURJMDL-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717536972 1421475074 /nfs/dbraw/zinc/47/50/74/1421475074.db2.gz UPMZOKNNURJMDL-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717536972 1421475077 /nfs/dbraw/zinc/47/50/77/1421475077.db2.gz UPMZOKNNURJMDL-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717980515 1421751768 /nfs/dbraw/zinc/75/17/68/1421751768.db2.gz AJMMBQROSAOJBW-YLJYHZDGSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733764232 1429983995 /nfs/dbraw/zinc/98/39/95/1429983995.db2.gz FUFWPOLERLMPBY-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764232 1429983997 /nfs/dbraw/zinc/98/39/97/1429983997.db2.gz FUFWPOLERLMPBY-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764232 1429984000 /nfs/dbraw/zinc/98/40/00/1429984000.db2.gz FUFWPOLERLMPBY-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001724602539 1424935402 /nfs/dbraw/zinc/93/54/02/1424935402.db2.gz WGRADVFKPHILNH-LTFPLMDUSA-N 2 1 347.547 3.185 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724995203 1425401793 /nfs/dbraw/zinc/40/17/93/1425401793.db2.gz OKUDQRUGEGBPNB-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001724995203 1425401795 /nfs/dbraw/zinc/40/17/95/1425401795.db2.gz OKUDQRUGEGBPNB-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001724995203 1425401797 /nfs/dbraw/zinc/40/17/97/1425401797.db2.gz OKUDQRUGEGBPNB-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001725028279 1425449230 /nfs/dbraw/zinc/44/92/30/1425449230.db2.gz XWAAPBLMWAYSNG-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001725028279 1425449234 /nfs/dbraw/zinc/44/92/34/1425449234.db2.gz XWAAPBLMWAYSNG-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001725028279 1425449239 /nfs/dbraw/zinc/44/92/39/1425449239.db2.gz XWAAPBLMWAYSNG-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725241487 1425846686 /nfs/dbraw/zinc/84/66/86/1425846686.db2.gz PEFBGAZAXSFEJZ-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001725344101 1425993874 /nfs/dbraw/zinc/99/38/74/1425993874.db2.gz NGYZLGKHIVPNLM-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725426762 1426089788 /nfs/dbraw/zinc/08/97/88/1426089788.db2.gz ULUCIVXBMBHENP-QGZVFWFLSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725426762 1426089794 /nfs/dbraw/zinc/08/97/94/1426089794.db2.gz ULUCIVXBMBHENP-QGZVFWFLSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725770022 1426453776 /nfs/dbraw/zinc/45/37/76/1426453776.db2.gz AJMMBQROSAOJBW-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830522 1426509079 /nfs/dbraw/zinc/50/90/79/1426509079.db2.gz SAOLJXKGYICHII-QUCCMNQESA-N 2 1 347.547 3.210 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001731517592 1427505790 /nfs/dbraw/zinc/50/57/90/1427505790.db2.gz DBEZMSKUSBHRJA-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731716849 1427781451 /nfs/dbraw/zinc/78/14/51/1427781451.db2.gz ZVDJNPZQHRFRCT-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734103585 1437888452 /nfs/dbraw/zinc/88/84/52/1437888452.db2.gz KIIJNWJVACUKTB-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001734103585 1437888453 /nfs/dbraw/zinc/88/84/53/1437888453.db2.gz KIIJNWJVACUKTB-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001734103585 1437888456 /nfs/dbraw/zinc/88/84/56/1437888456.db2.gz KIIJNWJVACUKTB-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001734105172 1437891352 /nfs/dbraw/zinc/89/13/52/1437891352.db2.gz BVCJVUWEQZBAOG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001734105172 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1 341.499 3.063 10 30 EGEEMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245800414 455381018 /nfs/dbraw/zinc/38/10/18/455381018.db2.gz XSSZJJQWCBLPET-OAQYLSRUSA-N 2 1 340.515 3.487 10 30 EGEEMP C=CCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121770248 454475246 /nfs/dbraw/zinc/47/52/46/454475246.db2.gz HHASXEHWRLQFCS-UHFFFAOYSA-N 2 1 325.456 3.440 10 30 EGEEMP Cc1cccc(NC[C@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)[nH+]1 ZINC000171648803 455081982 /nfs/dbraw/zinc/08/19/82/455081982.db2.gz SWYWLOUTIUGXNX-GOSISDBHSA-N 2 1 336.439 3.075 10 30 EGEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)[nH+]1 ZINC000171648803 455081986 /nfs/dbraw/zinc/08/19/86/455081986.db2.gz SWYWLOUTIUGXNX-GOSISDBHSA-N 2 1 336.439 3.075 10 30 EGEEMP CCC[N@H+](CC1(C#N)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000347499026 457467801 /nfs/dbraw/zinc/46/78/01/457467801.db2.gz ZBKIWLXNVLHIFT-UHFFFAOYSA-N 2 1 327.476 3.078 10 30 EGEEMP CCC[N@@H+](CC1(C#N)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000347499026 457467805 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334.467 3.125 10 30 EGEEMP N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000592488135 459612152 /nfs/dbraw/zinc/61/21/52/459612152.db2.gz FXDSOABYURPBEB-FPOVZHCZSA-N 2 1 334.467 3.125 10 30 EGEEMP C[C@@H](C#N)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000611276083 460327371 /nfs/dbraw/zinc/32/73/71/460327371.db2.gz OENCYORVDWXELE-KRWDZBQOSA-N 2 1 327.472 3.285 10 30 EGEEMP C[C@@H](C#N)C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000611276083 460327376 /nfs/dbraw/zinc/32/73/76/460327376.db2.gz OENCYORVDWXELE-KRWDZBQOSA-N 2 1 327.472 3.285 10 30 EGEEMP C[C@H](C#N)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000611276084 460327485 /nfs/dbraw/zinc/32/74/85/460327485.db2.gz OENCYORVDWXELE-QGZVFWFLSA-N 2 1 327.472 3.285 10 30 EGEEMP C[C@H](C#N)C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000611276084 460327486 /nfs/dbraw/zinc/32/74/86/460327486.db2.gz OENCYORVDWXELE-QGZVFWFLSA-N 2 1 327.472 3.285 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172882 1296794807 /nfs/dbraw/zinc/79/48/07/1296794807.db2.gz NXRVNBKXDCPREN-HNNXBMFYSA-N 2 1 332.835 3.475 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737713 1298950058 /nfs/dbraw/zinc/95/00/58/1298950058.db2.gz WEBHHCUDYIVTQU-SZMVWBNQSA-N 2 1 349.906 3.140 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334868 1328739777 /nfs/dbraw/zinc/73/97/77/1328739777.db2.gz SITAVKPILNVGOC-WOJBJXKFSA-N 2 1 326.484 3.202 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334868 1328739781 /nfs/dbraw/zinc/73/97/81/1328739781.db2.gz SITAVKPILNVGOC-WOJBJXKFSA-N 2 1 326.484 3.202 10 30 EGEEMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001323636043 1387413376 /nfs/dbraw/zinc/41/33/76/1387413376.db2.gz BHZJNUXLXLTSDM-IBGZPJMESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001323636043 1387413377 /nfs/dbraw/zinc/41/33/77/1387413377.db2.gz BHZJNUXLXLTSDM-IBGZPJMESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001323636043 1387413378 /nfs/dbraw/zinc/41/33/78/1387413378.db2.gz BHZJNUXLXLTSDM-IBGZPJMESA-N 2 1 349.563 3.101 10 30 EGEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001323736904 1387438945 /nfs/dbraw/zinc/43/89/45/1387438945.db2.gz XVSLKABHSMDACZ-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001323736904 1387438947 /nfs/dbraw/zinc/43/89/47/1387438947.db2.gz XVSLKABHSMDACZ-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001323736904 1387438951 /nfs/dbraw/zinc/43/89/51/1387438951.db2.gz XVSLKABHSMDACZ-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001323860414 1387480734 /nfs/dbraw/zinc/48/07/34/1387480734.db2.gz RHWUKOMFTGLTGK-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001323860414 1387480739 /nfs/dbraw/zinc/48/07/39/1387480739.db2.gz RHWUKOMFTGLTGK-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001323860414 1387480741 /nfs/dbraw/zinc/48/07/41/1387480741.db2.gz RHWUKOMFTGLTGK-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC001202604090 1369819841 /nfs/dbraw/zinc/81/98/41/1369819841.db2.gz VYZUMQIUIRHKEY-UHFFFAOYSA-N 2 1 329.669 3.147 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC001202604090 1369819842 /nfs/dbraw/zinc/81/98/42/1369819842.db2.gz VYZUMQIUIRHKEY-UHFFFAOYSA-N 2 1 329.669 3.147 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742324 1371397553 /nfs/dbraw/zinc/39/75/53/1371397553.db2.gz ILOIVLRZTBRDLM-HNAYVOBHSA-N 2 1 349.906 3.438 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742324 1371397561 /nfs/dbraw/zinc/39/75/61/1371397561.db2.gz ILOIVLRZTBRDLM-HNAYVOBHSA-N 2 1 349.906 3.438 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143680 1388401589 /nfs/dbraw/zinc/40/15/89/1388401589.db2.gz VMGYEZIBWHLYAA-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001266116235 1377194084 /nfs/dbraw/zinc/19/40/84/1377194084.db2.gz HWEUIJQDTKISBB-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001266116235 1377194085 /nfs/dbraw/zinc/19/40/85/1377194085.db2.gz HWEUIJQDTKISBB-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001266116235 1377194086 /nfs/dbraw/zinc/19/40/86/1377194086.db2.gz HWEUIJQDTKISBB-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266884374 1377399946 /nfs/dbraw/zinc/39/99/46/1377399946.db2.gz OIWQNORZPVFFPG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268217097 1377496463 /nfs/dbraw/zinc/49/64/63/1377496463.db2.gz ZFMIIBHXZRMKJP-SFHVURJKSA-N 2 1 337.552 3.412 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001275724728 1378153433 /nfs/dbraw/zinc/15/34/33/1378153433.db2.gz ANNKOFCUTYJKDD-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001278908827 1378290333 /nfs/dbraw/zinc/29/03/33/1378290333.db2.gz YOIINCOVDRUGQY-LJQANCHMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001278908827 1378290337 /nfs/dbraw/zinc/29/03/37/1378290337.db2.gz YOIINCOVDRUGQY-LJQANCHMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001278908827 1378290338 /nfs/dbraw/zinc/29/03/38/1378290338.db2.gz YOIINCOVDRUGQY-LJQANCHMSA-N 2 1 349.563 3.386 10 30 EGEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001282667659 1378540821 /nfs/dbraw/zinc/54/08/21/1378540821.db2.gz ZCCLVMNDEAZCOH-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001282667659 1378540824 /nfs/dbraw/zinc/54/08/24/1378540824.db2.gz ZCCLVMNDEAZCOH-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001282667659 1378540830 /nfs/dbraw/zinc/54/08/30/1378540830.db2.gz ZCCLVMNDEAZCOH-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098288 1388670596 /nfs/dbraw/zinc/67/05/96/1388670596.db2.gz LMWREKLYLMECIN-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098288 1388670599 /nfs/dbraw/zinc/67/05/99/1388670599.db2.gz LMWREKLYLMECIN-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001328588056 1388783724 /nfs/dbraw/zinc/78/37/24/1388783724.db2.gz PRCHKBUWUWWIKA-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810272 1384606108 /nfs/dbraw/zinc/60/61/08/1384606108.db2.gz ICODLMRQHPVBQG-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810272 1384606110 /nfs/dbraw/zinc/60/61/10/1384606110.db2.gz ICODLMRQHPVBQG-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001317085049 1384847397 /nfs/dbraw/zinc/84/73/97/1384847397.db2.gz DMOKYPVQOSDBTQ-NCXUSEDFSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001317209936 1384988749 /nfs/dbraw/zinc/98/87/49/1384988749.db2.gz VONSYADEQGNREK-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001317209936 1384988755 /nfs/dbraw/zinc/98/87/55/1384988755.db2.gz 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CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481770383 1394513888 /nfs/dbraw/zinc/51/38/88/1394513888.db2.gz DGLMCDAQYRYBSJ-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481770383 1394513894 /nfs/dbraw/zinc/51/38/94/1394513894.db2.gz DGLMCDAQYRYBSJ-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483944623 1395155989 /nfs/dbraw/zinc/15/59/89/1395155989.db2.gz YUHMJLGFJGVPMY-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484132073 1395270866 /nfs/dbraw/zinc/27/08/66/1395270866.db2.gz KDLZYFWAIGZMPU-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001484561619 1395447572 /nfs/dbraw/zinc/44/75/72/1395447572.db2.gz OQRFKNDLRLEALQ-ZWOKBUDYSA-N 2 1 343.515 3.260 10 30 EGEEMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001485767328 1396144557 /nfs/dbraw/zinc/14/45/57/1396144557.db2.gz XRFYODLSCSXCKP-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485767328 1396144561 /nfs/dbraw/zinc/14/45/61/1396144561.db2.gz XRFYODLSCSXCKP-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485767328 1396144565 /nfs/dbraw/zinc/14/45/65/1396144565.db2.gz XRFYODLSCSXCKP-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001495598543 1396546368 /nfs/dbraw/zinc/54/63/68/1396546368.db2.gz IWHFZYSIKOBPRT-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001495598543 1396546371 /nfs/dbraw/zinc/54/63/71/1396546371.db2.gz IWHFZYSIKOBPRT-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001495598543 1396546374 /nfs/dbraw/zinc/54/63/74/1396546374.db2.gz IWHFZYSIKOBPRT-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001495963833 1396580400 /nfs/dbraw/zinc/58/04/00/1396580400.db2.gz SGQCYSIQNUPILV-ROUUACIJSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001689055929 1396855958 /nfs/dbraw/zinc/85/59/58/1396855958.db2.gz NFZLBPIIJUEODQ-HKUYNNGSSA-N 2 1 346.519 3.155 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001690128776 1404322782 /nfs/dbraw/zinc/32/27/82/1404322782.db2.gz TUXNOFPSPYTPRR-OALUTQOASA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001690459937 1404590933 /nfs/dbraw/zinc/59/09/33/1404590933.db2.gz WAYBRDXENUKOOJ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691812232 1405524941 /nfs/dbraw/zinc/52/49/41/1405524941.db2.gz TXPABWXQAOEZFX-CEXWTWQISA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691884245 1405608007 /nfs/dbraw/zinc/60/80/07/1405608007.db2.gz HIIYXHZCROLLCA-AQNXPRMDSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691910029 1405634744 /nfs/dbraw/zinc/63/47/44/1405634744.db2.gz FJMIXAHUWMYLPP-NLWGTHIKSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691920263 1405649416 /nfs/dbraw/zinc/64/94/16/1405649416.db2.gz USYLCMQMPBNUDO-RLLQIKCJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276306 1405909619 /nfs/dbraw/zinc/90/96/19/1405909619.db2.gz YJTKNUXYIBQKQU-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001732074748 1428325324 /nfs/dbraw/zinc/32/53/24/1428325324.db2.gz KIZRURIRIZBBIO-GOSISDBHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001732074748 1428325328 /nfs/dbraw/zinc/32/53/28/1428325328.db2.gz KIZRURIRIZBBIO-GOSISDBHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001732289452 1428516052 /nfs/dbraw/zinc/51/60/52/1428516052.db2.gz WDBBJQOCMHFJAE-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001732402058 1428567110 /nfs/dbraw/zinc/56/71/10/1428567110.db2.gz CGMXLUULVPCDQD-LJQANCHMSA-N 2 1 349.563 3.366 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001732471683 1428599925 /nfs/dbraw/zinc/59/99/25/1428599925.db2.gz BBWGYHSIZQXBIS-XUVXKRRUSA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001699625229 1412991849 /nfs/dbraw/zinc/99/18/49/1412991849.db2.gz AYFWUIQTQGKLJW-QGZVFWFLSA-N 2 1 340.471 3.193 10 30 EGEEMP C=CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001699684146 1413080495 /nfs/dbraw/zinc/08/04/95/1413080495.db2.gz WEUQTOLHQFBLMB-UHFFFAOYSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001699861596 1413296493 /nfs/dbraw/zinc/29/64/93/1413296493.db2.gz LZWUHGHWVGMATO-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001700340791 1413821756 /nfs/dbraw/zinc/82/17/56/1413821756.db2.gz BUKCWFPRAWNNDJ-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001700340791 1413821761 /nfs/dbraw/zinc/82/17/61/1413821761.db2.gz BUKCWFPRAWNNDJ-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001700340791 1413821764 /nfs/dbraw/zinc/82/17/64/1413821764.db2.gz BUKCWFPRAWNNDJ-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701062665 1414720467 /nfs/dbraw/zinc/72/04/67/1414720467.db2.gz KFSZMADPZSYDGW-FQEVSTJZSA-N 2 1 347.547 3.211 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001707185799 1417235151 /nfs/dbraw/zinc/23/51/51/1417235151.db2.gz LIWLFVGVHBRBTC-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001707185799 1417235155 /nfs/dbraw/zinc/23/51/55/1417235155.db2.gz LIWLFVGVHBRBTC-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001707185799 1417235157 /nfs/dbraw/zinc/23/51/57/1417235157.db2.gz LIWLFVGVHBRBTC-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001707197919 1417240967 /nfs/dbraw/zinc/24/09/67/1417240967.db2.gz PPIDUOBRYZUJHW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1CC ZINC001707197919 1417240978 /nfs/dbraw/zinc/24/09/78/1417240978.db2.gz PPIDUOBRYZUJHW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1CC ZINC001707197919 1417240981 /nfs/dbraw/zinc/24/09/81/1417240981.db2.gz PPIDUOBRYZUJHW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001707240486 1417260751 /nfs/dbraw/zinc/26/07/51/1417260751.db2.gz JRFCCYUDYKHJEF-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001707240486 1417260753 /nfs/dbraw/zinc/26/07/53/1417260753.db2.gz JRFCCYUDYKHJEF-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136243 1417717595 /nfs/dbraw/zinc/71/75/95/1417717595.db2.gz BEAKJGDFYLUXNJ-ICSRJNTNSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136243 1417717596 /nfs/dbraw/zinc/71/75/96/1417717596.db2.gz BEAKJGDFYLUXNJ-ICSRJNTNSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713199362 1417770425 /nfs/dbraw/zinc/77/04/25/1417770425.db2.gz ANNRNHDNZMNRKZ-XSYGEPLQSA-N 2 1 347.547 3.375 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713258016 1417862536 /nfs/dbraw/zinc/86/25/36/1417862536.db2.gz OMSZMBSOICYILV-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001713293494 1417921093 /nfs/dbraw/zinc/92/10/93/1417921093.db2.gz ZBLWNRHRZFBEOQ-GRERDSQWSA-N 2 1 349.563 3.460 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720224 1418491226 /nfs/dbraw/zinc/49/12/26/1418491226.db2.gz QTIHQJPYAFTNFF-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750994 1418551908 /nfs/dbraw/zinc/55/19/08/1418551908.db2.gz KZABXJWMHFIECW-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713750994 1418551911 /nfs/dbraw/zinc/55/19/11/1418551911.db2.gz KZABXJWMHFIECW-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713750994 1418551915 /nfs/dbraw/zinc/55/19/15/1418551915.db2.gz KZABXJWMHFIECW-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001713933120 1418722351 /nfs/dbraw/zinc/72/23/51/1418722351.db2.gz JDEJXKDSEGVCMU-XIRDDKMYSA-N 2 1 347.528 3.063 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001713933120 1418722355 /nfs/dbraw/zinc/72/23/55/1418722355.db2.gz JDEJXKDSEGVCMU-XIRDDKMYSA-N 2 1 347.528 3.063 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714813825 1419524734 /nfs/dbraw/zinc/52/47/34/1419524734.db2.gz IENRWAOZVRJWJP-YLJYHZDGSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001715156176 1419899150 /nfs/dbraw/zinc/89/91/50/1419899150.db2.gz SZQIZJHHZIJMAF-GOSISDBHSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001715443037 1420127942 /nfs/dbraw/zinc/12/79/42/1420127942.db2.gz GQWWEURFUFBERE-WOJBJXKFSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715473014 1420152020 /nfs/dbraw/zinc/15/20/20/1420152020.db2.gz KRYZPXKWOPQAEZ-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001716712366 1420864968 /nfs/dbraw/zinc/86/49/68/1420864968.db2.gz IJTWUUKBHBWSTE-UXHICEINSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278504 1429446763 /nfs/dbraw/zinc/44/67/63/1429446763.db2.gz RHPDCAICKSMDSX-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCCCCC1 ZINC001733278504 1429446766 /nfs/dbraw/zinc/44/67/66/1429446766.db2.gz RHPDCAICKSMDSX-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCCCCC1 ZINC001733278504 1429446767 /nfs/dbraw/zinc/44/67/67/1429446767.db2.gz RHPDCAICKSMDSX-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001733278734 1429447840 /nfs/dbraw/zinc/44/78/40/1429447840.db2.gz WQXROSYCWLWUCM-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001717115257 1421119281 /nfs/dbraw/zinc/11/92/81/1421119281.db2.gz KHLVDWYPNXNKDE-QFBILLFUSA-N 2 1 329.488 3.014 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001717309055 1421251466 /nfs/dbraw/zinc/25/14/66/1421251466.db2.gz DNWQXDGCURFNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309055 1421251468 /nfs/dbraw/zinc/25/14/68/1421251468.db2.gz DNWQXDGCURFNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309055 1421251469 /nfs/dbraw/zinc/25/14/69/1421251469.db2.gz DNWQXDGCURFNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001717377511 1421320321 /nfs/dbraw/zinc/32/03/21/1421320321.db2.gz LHVULPHJBOOVMC-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001717950923 1421720263 /nfs/dbraw/zinc/72/02/63/1421720263.db2.gz ZIANOVJCBKVDEE-FHWLQOOXSA-N 2 1 337.552 3.240 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001717950923 1421720264 /nfs/dbraw/zinc/72/02/64/1421720264.db2.gz ZIANOVJCBKVDEE-FHWLQOOXSA-N 2 1 337.552 3.240 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001717950923 1421720265 /nfs/dbraw/zinc/72/02/65/1421720265.db2.gz ZIANOVJCBKVDEE-FHWLQOOXSA-N 2 1 337.552 3.240 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001717964815 1421736467 /nfs/dbraw/zinc/73/64/67/1421736467.db2.gz DZLAKXWAUWUGGH-ZWKOTPCHSA-N 2 1 337.552 3.195 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001723691802 1424532005 /nfs/dbraw/zinc/53/20/05/1424532005.db2.gz RXFOHOGVUSQINK-FPOVZHCZSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001723691802 1424532006 /nfs/dbraw/zinc/53/20/06/1424532006.db2.gz RXFOHOGVUSQINK-FPOVZHCZSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001723691802 1424532010 /nfs/dbraw/zinc/53/20/10/1424532010.db2.gz RXFOHOGVUSQINK-FPOVZHCZSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723720300 1424546521 /nfs/dbraw/zinc/54/65/21/1424546521.db2.gz YKUUHFANZVBZQO-FQEVSTJZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001724602535 1424935690 /nfs/dbraw/zinc/93/56/90/1424935690.db2.gz WGRADVFKPHILNH-KJFMYELZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001724602535 1424935692 /nfs/dbraw/zinc/93/56/92/1424935692.db2.gz WGRADVFKPHILNH-KJFMYELZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001724602535 1424935697 /nfs/dbraw/zinc/93/56/97/1424935697.db2.gz WGRADVFKPHILNH-KJFMYELZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001724754993 1425125482 /nfs/dbraw/zinc/12/54/82/1425125482.db2.gz VANWLZPSXRJRSA-MUGJNUQGSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848139 1425204116 /nfs/dbraw/zinc/20/41/16/1425204116.db2.gz ZLVHDCJLIIARCF-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001724852943 1425218446 /nfs/dbraw/zinc/21/84/46/1425218446.db2.gz AWPZDNZIPYLFDJ-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001724852943 1425218449 /nfs/dbraw/zinc/21/84/49/1425218449.db2.gz AWPZDNZIPYLFDJ-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001724852943 1425218453 /nfs/dbraw/zinc/21/84/53/1425218453.db2.gz AWPZDNZIPYLFDJ-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724853255 1425218985 /nfs/dbraw/zinc/21/89/85/1425218985.db2.gz SHEHFXPWNBLBTA-UHFFFAOYSA-N 2 1 328.460 3.003 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001725796006 1426481702 /nfs/dbraw/zinc/48/17/02/1426481702.db2.gz GLWNQDNWSSLOBX-KRWDZBQOSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731419004 1427394014 /nfs/dbraw/zinc/39/40/14/1427394014.db2.gz NKZFSLSTRPFCBJ-LJQANCHMSA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001734208672 1437943961 /nfs/dbraw/zinc/94/39/61/1437943961.db2.gz GPIYLSRTZKNONE-JPLJXNOCSA-N 2 1 347.547 3.233 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001734442312 1438104640 /nfs/dbraw/zinc/10/46/40/1438104640.db2.gz PZCSEJCHLJEHJT-TZIWHRDSSA-N 2 1 349.563 3.412 10 30 EGEEMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459734428 267335914 /nfs/dbraw/zinc/33/59/14/267335914.db2.gz HCXCNFQEKMPDAK-ZDUSSCGKSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459734424 267338157 /nfs/dbraw/zinc/33/81/57/267338157.db2.gz HCXCNFQEKMPDAK-CYBMUJFWSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195291499 455941196 /nfs/dbraw/zinc/94/11/96/455941196.db2.gz KLKTUJVRBRRQBV-SFHVURJKSA-N 2 1 338.430 3.046 10 30 EGEEMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594514062 459072871 /nfs/dbraw/zinc/07/28/71/459072871.db2.gz OWHFKUSVCFAXDX-HDICACEKSA-N 2 1 343.515 3.467 10 30 EGEEMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747009 /nfs/dbraw/zinc/74/70/09/459747009.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 1 340.496 3.277 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876719695 1298935488 /nfs/dbraw/zinc/93/54/88/1298935488.db2.gz SMTMVYVOFIZMJV-SUMWQHHRSA-N 2 1 335.879 3.327 10 30 EGEEMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000883167257 1302281727 /nfs/dbraw/zinc/28/17/27/1302281727.db2.gz UDLZMDSBIXTSHK-NHCUHLMSSA-N 2 1 344.499 3.122 10 30 EGEEMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1Cc2ccccc2O1 ZINC000883171666 1302282735 /nfs/dbraw/zinc/28/27/35/1302282735.db2.gz FDALPAONBOWTTQ-PBEJRMEISA-N 2 1 326.484 3.399 10 30 EGEEMP CCCCCCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001324334385 1387596460 /nfs/dbraw/zinc/59/64/60/1387596460.db2.gz KLPQGKUZOPDVCM-GOSISDBHSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001324740089 1387758600 /nfs/dbraw/zinc/75/86/00/1387758600.db2.gz FWZTWRSPKBTKJD-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877199 1368508992 /nfs/dbraw/zinc/50/89/92/1368508992.db2.gz TURPAPXKLZTKSE-NRFANRHFSA-N 2 1 346.434 3.218 10 30 EGEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001325633322 1388019468 /nfs/dbraw/zinc/01/94/68/1388019468.db2.gz XQFSMWXTTVGZLR-REPLKXPHSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899323 1388071839 /nfs/dbraw/zinc/07/18/39/1388071839.db2.gz OZIISSSGYWHQID-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP 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C=CCCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812361 1378623155 /nfs/dbraw/zinc/62/31/55/1378623155.db2.gz UOCCMBRJOWTLNI-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812361 1378623157 /nfs/dbraw/zinc/62/31/57/1378623157.db2.gz UOCCMBRJOWTLNI-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328068531 1388659843 /nfs/dbraw/zinc/65/98/43/1388659843.db2.gz RICMHYZUFVBJAX-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068531 1388659847 /nfs/dbraw/zinc/65/98/47/1388659847.db2.gz RICMHYZUFVBJAX-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068531 1388659849 /nfs/dbraw/zinc/65/98/49/1388659849.db2.gz RICMHYZUFVBJAX-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328098404 1388670217 /nfs/dbraw/zinc/67/02/17/1388670217.db2.gz MTWOCUTYGUUMAZ-SFHVURJKSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001328097985 1388669628 /nfs/dbraw/zinc/66/96/28/1388669628.db2.gz KHCVIMVLCCHSTJ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001328577630 1388780117 /nfs/dbraw/zinc/78/01/17/1388780117.db2.gz IRFVOORPSQQTMR-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001328577630 1388780121 /nfs/dbraw/zinc/78/01/21/1388780121.db2.gz IRFVOORPSQQTMR-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001328577630 1388780125 /nfs/dbraw/zinc/78/01/25/1388780125.db2.gz IRFVOORPSQQTMR-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810269 1384606423 /nfs/dbraw/zinc/60/64/23/1384606423.db2.gz ICODLMRQHPVBQG-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810269 1384606426 /nfs/dbraw/zinc/60/64/26/1384606426.db2.gz ICODLMRQHPVBQG-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001316811708 1384609602 /nfs/dbraw/zinc/60/96/02/1384609602.db2.gz OIXZYFRYJAVCHS-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001316919456 1384690001 /nfs/dbraw/zinc/69/00/01/1384690001.db2.gz FVZQNMBZEVVXGP-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316919456 1384690004 /nfs/dbraw/zinc/69/00/04/1384690004.db2.gz FVZQNMBZEVVXGP-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001316919456 1384690005 /nfs/dbraw/zinc/69/00/05/1384690005.db2.gz FVZQNMBZEVVXGP-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317044543 1384818304 /nfs/dbraw/zinc/81/83/04/1384818304.db2.gz MHRCGNFXTWLSHE-FQEVSTJZSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001698704693 1406346368 /nfs/dbraw/zinc/34/63/68/1406346368.db2.gz XTZDCZFLBIJWPK-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001698724024 1406372238 /nfs/dbraw/zinc/37/22/38/1406372238.db2.gz FBGQYXRUXMVPMO-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109263 1389987975 /nfs/dbraw/zinc/98/79/75/1389987975.db2.gz FLCIRXGKVWTCCZ-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109263 1389987979 /nfs/dbraw/zinc/98/79/79/1389987979.db2.gz FLCIRXGKVWTCCZ-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001479637563 1392300293 /nfs/dbraw/zinc/30/02/93/1392300293.db2.gz VBNDCSOYKBLMON-XUVXKRRUSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001479637563 1392300295 /nfs/dbraw/zinc/30/02/95/1392300295.db2.gz VBNDCSOYKBLMON-XUVXKRRUSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001479637563 1392300301 /nfs/dbraw/zinc/30/03/01/1392300301.db2.gz VBNDCSOYKBLMON-XUVXKRRUSA-N 2 1 347.547 3.329 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001479674530 1392313837 /nfs/dbraw/zinc/31/38/37/1392313837.db2.gz GUEKCLFTURGWOU-MOPGFXCFSA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001479674530 1392313840 /nfs/dbraw/zinc/31/38/40/1392313840.db2.gz GUEKCLFTURGWOU-MOPGFXCFSA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001479674530 1392313846 /nfs/dbraw/zinc/31/38/46/1392313846.db2.gz GUEKCLFTURGWOU-MOPGFXCFSA-N 2 1 337.552 3.077 10 30 EGEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479688927 1392320609 /nfs/dbraw/zinc/32/06/09/1392320609.db2.gz NHGUINCNMBWPSE-LJQANCHMSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001479747308 1392364766 /nfs/dbraw/zinc/36/47/66/1392364766.db2.gz XBDQAUWHRPYJKB-ROUUACIJSA-N 2 1 337.552 3.146 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383702 1392727914 /nfs/dbraw/zinc/72/79/14/1392727914.db2.gz QHSSWLLXRBQUNA-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383702 1392727915 /nfs/dbraw/zinc/72/79/15/1392727915.db2.gz QHSSWLLXRBQUNA-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480384070 1392728860 /nfs/dbraw/zinc/72/88/60/1392728860.db2.gz USEHQAODGGJONR-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384070 1392728864 /nfs/dbraw/zinc/72/88/64/1392728864.db2.gz USEHQAODGGJONR-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384070 1392728867 /nfs/dbraw/zinc/72/88/67/1392728867.db2.gz USEHQAODGGJONR-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480652221 1392837286 /nfs/dbraw/zinc/83/72/86/1392837286.db2.gz HLHMKBDQPLTJMR-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461398 1394317890 /nfs/dbraw/zinc/31/78/90/1394317890.db2.gz BXDGFBQWGRWDBR-WOJBJXKFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001490792034 1394345979 /nfs/dbraw/zinc/34/59/79/1394345979.db2.gz PPORXGFVYJXCPL-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001490792034 1394345984 /nfs/dbraw/zinc/34/59/84/1394345984.db2.gz PPORXGFVYJXCPL-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001490792034 1394345991 /nfs/dbraw/zinc/34/59/91/1394345991.db2.gz PPORXGFVYJXCPL-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001491369450 1394513162 /nfs/dbraw/zinc/51/31/62/1394513162.db2.gz ATHAEIBREHRNCS-MHJFOBGBSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001482041913 1394703772 /nfs/dbraw/zinc/70/37/72/1394703772.db2.gz AZHATOSOHZDUTA-YSIASYRMSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161334 1395296389 /nfs/dbraw/zinc/29/63/89/1395296389.db2.gz VCYCBNMLDAQUAH-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001484161334 1395296394 /nfs/dbraw/zinc/29/63/94/1395296394.db2.gz VCYCBNMLDAQUAH-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001484161334 1395296395 /nfs/dbraw/zinc/29/63/95/1395296395.db2.gz VCYCBNMLDAQUAH-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001484391665 1395362601 /nfs/dbraw/zinc/36/26/01/1395362601.db2.gz RIKPIEWGSDZCCM-HAGHYFMRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001484391665 1395362608 /nfs/dbraw/zinc/36/26/08/1395362608.db2.gz RIKPIEWGSDZCCM-HAGHYFMRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001484391665 1395362613 /nfs/dbraw/zinc/36/26/13/1395362613.db2.gz RIKPIEWGSDZCCM-HAGHYFMRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484466762 1395403787 /nfs/dbraw/zinc/40/37/87/1395403787.db2.gz WBCXIILBUIZLBJ-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484466762 1395403790 /nfs/dbraw/zinc/40/37/90/1395403790.db2.gz WBCXIILBUIZLBJ-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484466762 1395403792 /nfs/dbraw/zinc/40/37/92/1395403792.db2.gz WBCXIILBUIZLBJ-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001484554381 1395434019 /nfs/dbraw/zinc/43/40/19/1395434019.db2.gz URAIWHNHECCLGN-VQTJNVASSA-N 2 1 343.515 3.041 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001484554381 1395434021 /nfs/dbraw/zinc/43/40/21/1395434021.db2.gz URAIWHNHECCLGN-VQTJNVASSA-N 2 1 343.515 3.041 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937967 1395596657 /nfs/dbraw/zinc/59/66/57/1395596657.db2.gz SVQCYGQLEWZTLD-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937967 1395596661 /nfs/dbraw/zinc/59/66/61/1395596661.db2.gz SVQCYGQLEWZTLD-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937967 1395596665 /nfs/dbraw/zinc/59/66/65/1395596665.db2.gz SVQCYGQLEWZTLD-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484981260 1395621331 /nfs/dbraw/zinc/62/13/31/1395621331.db2.gz NDSUJOUHMRGNAO-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001485449287 1395916772 /nfs/dbraw/zinc/91/67/72/1395916772.db2.gz KFRUTIOLNKRGPL-OALUTQOASA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573612 1396041132 /nfs/dbraw/zinc/04/11/32/1396041132.db2.gz CYAFANBUHZUKQO-SJORKVTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585386 1396061948 /nfs/dbraw/zinc/06/19/48/1396061948.db2.gz LWWNVOMZTMAKQH-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585383 1396062123 /nfs/dbraw/zinc/06/21/23/1396062123.db2.gz LWWNVOMZTMAKQH-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001485768005 1396145645 /nfs/dbraw/zinc/14/56/45/1396145645.db2.gz WOWJJHBLMMHEML-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505398855 1396286449 /nfs/dbraw/zinc/28/64/49/1396286449.db2.gz XWAAPBLMWAYSNG-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001505398855 1396286452 /nfs/dbraw/zinc/28/64/52/1396286452.db2.gz XWAAPBLMWAYSNG-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001505398855 1396286457 /nfs/dbraw/zinc/28/64/57/1396286457.db2.gz XWAAPBLMWAYSNG-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494583573 1396476670 /nfs/dbraw/zinc/47/66/70/1396476670.db2.gz KHAMMZCEOFKPHT-XLIONFOSSA-N 2 1 347.547 3.186 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001494686620 1396488985 /nfs/dbraw/zinc/48/89/85/1396488985.db2.gz WZJKZFGZJVZWFZ-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001494686620 1396488986 /nfs/dbraw/zinc/48/89/86/1396488986.db2.gz WZJKZFGZJVZWFZ-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001494686620 1396488987 /nfs/dbraw/zinc/48/89/87/1396488987.db2.gz WZJKZFGZJVZWFZ-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145624 1396946221 /nfs/dbraw/zinc/94/62/21/1396946221.db2.gz BVQOWIGNLYAMLA-RLLQIKCJSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145624 1396946229 /nfs/dbraw/zinc/94/62/29/1396946229.db2.gz BVQOWIGNLYAMLA-RLLQIKCJSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145624 1396946231 /nfs/dbraw/zinc/94/62/31/1396946231.db2.gz BVQOWIGNLYAMLA-RLLQIKCJSA-N 2 1 347.547 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504442 1404616862 /nfs/dbraw/zinc/61/68/62/1404616862.db2.gz DINOUAPUPSWBJK-RBUKOAKNSA-N 2 1 349.563 3.269 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001725641142 1426318981 /nfs/dbraw/zinc/31/89/81/1426318981.db2.gz XWFKWZNGSPCEMD-MSOLQXFVSA-N 2 1 337.552 3.410 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691401638 1405238049 /nfs/dbraw/zinc/23/80/49/1405238049.db2.gz RKBDOAKRYZHGRJ-VAMGGRTRSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001691557783 1405337648 /nfs/dbraw/zinc/33/76/48/1405337648.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 1 346.519 3.093 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001691557783 1405337654 /nfs/dbraw/zinc/33/76/54/1405337654.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 1 346.519 3.093 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001691667585 1405401266 /nfs/dbraw/zinc/40/12/66/1405401266.db2.gz VLLZWKKCGUJFOU-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001691818463 1405532684 /nfs/dbraw/zinc/53/26/84/1405532684.db2.gz CWVKVVFYKZUPAQ-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818463 1405532686 /nfs/dbraw/zinc/53/26/86/1405532686.db2.gz CWVKVVFYKZUPAQ-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818463 1405532690 /nfs/dbraw/zinc/53/26/90/1405532690.db2.gz CWVKVVFYKZUPAQ-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691884246 1405608039 /nfs/dbraw/zinc/60/80/39/1405608039.db2.gz HIIYXHZCROLLCA-VAMGGRTRSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904970 1405628154 /nfs/dbraw/zinc/62/81/54/1405628154.db2.gz LSYUNSOLUUPJBB-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691904970 1405628157 /nfs/dbraw/zinc/62/81/57/1405628157.db2.gz LSYUNSOLUUPJBB-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691904970 1405628160 /nfs/dbraw/zinc/62/81/60/1405628160.db2.gz LSYUNSOLUUPJBB-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074720 1428325690 /nfs/dbraw/zinc/32/56/90/1428325690.db2.gz JVXZKVSRUFYUJA-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001732289645 1428516061 /nfs/dbraw/zinc/51/60/61/1428516061.db2.gz ZZXQZPVHUXXVMQ-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001699680336 1413074903 /nfs/dbraw/zinc/07/49/03/1413074903.db2.gz MPSKOFOGDADMLT-QBUWPKIASA-N 2 1 335.536 3.183 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001699870074 1413316889 /nfs/dbraw/zinc/31/68/89/1413316889.db2.gz WVEWVHXDUCQZLY-TZIWHRDSSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001699977350 1413420617 /nfs/dbraw/zinc/42/06/17/1413420617.db2.gz FGJDRPVZNGRVKK-OKYOBFRVSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001700091824 1413505833 /nfs/dbraw/zinc/50/58/33/1413505833.db2.gz PJWVMAGWLBYTOC-YLJYHZDGSA-N 2 1 343.515 3.041 10 30 EGEEMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001700567581 1414235294 /nfs/dbraw/zinc/23/52/94/1414235294.db2.gz KYPXGCMNFRPMKZ-QGZVFWFLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001700567581 1414235298 /nfs/dbraw/zinc/23/52/98/1414235298.db2.gz KYPXGCMNFRPMKZ-QGZVFWFLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001700567581 1414235301 /nfs/dbraw/zinc/23/53/01/1414235301.db2.gz KYPXGCMNFRPMKZ-QGZVFWFLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043534 1429173847 /nfs/dbraw/zinc/17/38/47/1429173847.db2.gz PVACEZAHGARROG-GJZGRUSLSA-N 2 1 328.460 3.048 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713758549 1418564241 /nfs/dbraw/zinc/56/42/41/1418564241.db2.gz RZWBSLHXRVGOSL-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758549 1418564245 /nfs/dbraw/zinc/56/42/45/1418564245.db2.gz RZWBSLHXRVGOSL-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758549 1418564249 /nfs/dbraw/zinc/56/42/49/1418564249.db2.gz RZWBSLHXRVGOSL-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001713804829 1418618036 /nfs/dbraw/zinc/61/80/36/1418618036.db2.gz AMOQGHJKTKZMGD-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001713804829 1418618040 /nfs/dbraw/zinc/61/80/40/1418618040.db2.gz AMOQGHJKTKZMGD-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001713804829 1418618042 /nfs/dbraw/zinc/61/80/42/1418618042.db2.gz AMOQGHJKTKZMGD-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713957477 1418739367 /nfs/dbraw/zinc/73/93/67/1418739367.db2.gz ANNRNHDNZMNRKZ-MLYOOKFZSA-N 2 1 347.547 3.375 10 30 EGEEMP C=C(C)CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001714182933 1418990589 /nfs/dbraw/zinc/99/05/89/1418990589.db2.gz CLFBXVBQPPTWNO-YLJYHZDGSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714439293 1419170737 /nfs/dbraw/zinc/17/07/37/1419170737.db2.gz PLJWNUKMBWZKAD-ZWKOTPCHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714439293 1419170738 /nfs/dbraw/zinc/17/07/38/1419170738.db2.gz PLJWNUKMBWZKAD-ZWKOTPCHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714439438 1419171180 /nfs/dbraw/zinc/17/11/80/1419171180.db2.gz RJOIBOCWAVDZCR-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714439438 1419171182 /nfs/dbraw/zinc/17/11/82/1419171182.db2.gz RJOIBOCWAVDZCR-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714439438 1419171183 /nfs/dbraw/zinc/17/11/83/1419171183.db2.gz RJOIBOCWAVDZCR-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714540065 1419265707 /nfs/dbraw/zinc/26/57/07/1419265707.db2.gz NEAGTJFEFREFLF-FQEVSTJZSA-N 2 1 343.515 3.299 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714540066 1419266150 /nfs/dbraw/zinc/26/61/50/1419266150.db2.gz NEAGTJFEFREFLF-HXUWFJFHSA-N 2 1 343.515 3.299 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001714845097 1419557565 /nfs/dbraw/zinc/55/75/65/1419557565.db2.gz ISTNHGYHPCYNLV-QZTJIDSGSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001714845097 1419557569 /nfs/dbraw/zinc/55/75/69/1419557569.db2.gz ISTNHGYHPCYNLV-QZTJIDSGSA-N 2 1 349.906 3.060 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001714913318 1419661846 /nfs/dbraw/zinc/66/18/46/1419661846.db2.gz JCWHRRRTZVZQIU-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017796 1419746532 /nfs/dbraw/zinc/74/65/32/1419746532.db2.gz RQLBDXJFWQAQJX-NVXWUHKLSA-N 2 1 349.544 3.311 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017796 1419746535 /nfs/dbraw/zinc/74/65/35/1419746535.db2.gz RQLBDXJFWQAQJX-NVXWUHKLSA-N 2 1 349.544 3.311 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715045394 1419785715 /nfs/dbraw/zinc/78/57/15/1419785715.db2.gz OGLZYIBAMAHMIS-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001733272524 1429435066 /nfs/dbraw/zinc/43/50/66/1429435066.db2.gz OSYQWNRHVXNTDC-AYHJJNSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716877149 1421002670 /nfs/dbraw/zinc/00/26/70/1421002670.db2.gz XEJZXGBRAVAQKU-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717304821 1421246375 /nfs/dbraw/zinc/24/63/75/1421246375.db2.gz TVSPJACYRGQLTB-LJQANCHMSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001717313183 1421259051 /nfs/dbraw/zinc/25/90/51/1421259051.db2.gz MWSBWLVPYBASCC-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001717523162 1421458944 /nfs/dbraw/zinc/45/89/44/1421458944.db2.gz HGBNPTBQNHFHCX-SFHVURJKSA-N 2 1 335.536 3.234 10 30 EGEEMP CCCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717540369 1421480439 /nfs/dbraw/zinc/48/04/39/1421480439.db2.gz OJTKGTHGKXBGTE-IBGZPJMESA-N 2 1 349.563 3.413 10 30 EGEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001717557431 1421493836 /nfs/dbraw/zinc/49/38/36/1421493836.db2.gz OBJUOKXQTMKMAR-FXAWDEMLSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717560974 1421496992 /nfs/dbraw/zinc/49/69/92/1421496992.db2.gz YDMGTKMZXYVMTH-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717681481 1421563948 /nfs/dbraw/zinc/56/39/48/1421563948.db2.gz FXFSCDVGDPDNHT-HKUYNNGSSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717702288 1421576062 /nfs/dbraw/zinc/57/60/62/1421576062.db2.gz ORJBGEOUXXSXGT-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717702288 1421576064 /nfs/dbraw/zinc/57/60/64/1421576064.db2.gz ORJBGEOUXXSXGT-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717702288 1421576066 /nfs/dbraw/zinc/57/60/66/1421576066.db2.gz ORJBGEOUXXSXGT-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001717838905 1421652919 /nfs/dbraw/zinc/65/29/19/1421652919.db2.gz YYQQPHCTQZESKX-MBOZVWFJSA-N 2 1 344.503 3.086 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001717838905 1421652920 /nfs/dbraw/zinc/65/29/20/1421652920.db2.gz YYQQPHCTQZESKX-MBOZVWFJSA-N 2 1 344.503 3.086 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001723874501 1424594018 /nfs/dbraw/zinc/59/40/18/1424594018.db2.gz ILPZMQJFZWPSLD-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001723874501 1424594024 /nfs/dbraw/zinc/59/40/24/1424594024.db2.gz ILPZMQJFZWPSLD-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723937810 1424608093 /nfs/dbraw/zinc/60/80/93/1424608093.db2.gz OOJDVXXLVNASCK-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001733565375 1429765991 /nfs/dbraw/zinc/76/59/91/1429765991.db2.gz GAYHQNQOECGBOM-YHDCXSKOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001733565375 1429765995 /nfs/dbraw/zinc/76/59/95/1429765995.db2.gz GAYHQNQOECGBOM-YHDCXSKOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001733565375 1429765998 /nfs/dbraw/zinc/76/59/98/1429765998.db2.gz GAYHQNQOECGBOM-YHDCXSKOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001724610576 1424950232 /nfs/dbraw/zinc/95/02/32/1424950232.db2.gz IQIQHSYZCLNYAY-WTGUMLROSA-N 2 1 347.547 3.092 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652266 1425013570 /nfs/dbraw/zinc/01/35/70/1425013570.db2.gz RKJQVZNMIPEHLT-RBUKOAKNSA-N 2 1 335.536 3.118 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657576 1425024611 /nfs/dbraw/zinc/02/46/11/1425024611.db2.gz ZPLWOZIHTINDEW-UAFMIMERSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001724657576 1425024616 /nfs/dbraw/zinc/02/46/16/1425024616.db2.gz ZPLWOZIHTINDEW-UAFMIMERSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001724657576 1425024620 /nfs/dbraw/zinc/02/46/20/1425024620.db2.gz ZPLWOZIHTINDEW-UAFMIMERSA-N 2 1 349.563 3.362 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001733569040 1429772364 /nfs/dbraw/zinc/77/23/64/1429772364.db2.gz ARCCKGAEDYZFBX-WTGUMLROSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725048122 1425479006 /nfs/dbraw/zinc/47/90/06/1425479006.db2.gz OZSPFFVBKPEXFI-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734032798 1437820855 /nfs/dbraw/zinc/82/08/55/1437820855.db2.gz AXOHTHNSNQSDRV-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032798 1437820856 /nfs/dbraw/zinc/82/08/56/1437820856.db2.gz AXOHTHNSNQSDRV-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032798 1437820858 /nfs/dbraw/zinc/82/08/58/1437820858.db2.gz AXOHTHNSNQSDRV-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153635 1437920814 /nfs/dbraw/zinc/92/08/14/1437920814.db2.gz JEZACPJPFKDUSQ-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155488 1437922129 /nfs/dbraw/zinc/92/21/29/1437922129.db2.gz PYZXGTPFWCEOLI-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155488 1437922130 /nfs/dbraw/zinc/92/21/30/1437922130.db2.gz PYZXGTPFWCEOLI-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000183683228 455320580 /nfs/dbraw/zinc/32/05/80/455320580.db2.gz QISGDPVCYZDUHF-VFNWGFHPSA-N 2 1 346.434 3.437 10 30 EGEEMP C#CCOc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116924348 455075580 /nfs/dbraw/zinc/07/55/80/455075580.db2.gz XBZCAQDFZOPBMO-UHFFFAOYSA-N 2 1 335.451 3.161 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000354501282 457260348 /nfs/dbraw/zinc/26/03/48/457260348.db2.gz OAMODBMUNFABTE-YOFSQIOKSA-N 2 1 344.499 3.325 10 30 EGEEMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570764 1296461220 /nfs/dbraw/zinc/46/12/20/1296461220.db2.gz XCJFIBMJSUDHRY-RHSMWYFYSA-N 2 1 334.895 3.132 10 30 EGEEMP C=CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CCCO1 ZINC000883195797 1302299665 /nfs/dbraw/zinc/29/96/65/1302299665.db2.gz CNACTYJVZPLBBS-RBUKOAKNSA-N 2 1 344.503 3.166 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136864 1328692557 /nfs/dbraw/zinc/69/25/57/1328692557.db2.gz WPKDBCCVXCTOKS-IRXDYDNUSA-N 2 1 345.487 3.339 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136864 1328692566 /nfs/dbraw/zinc/69/25/66/1328692566.db2.gz WPKDBCCVXCTOKS-IRXDYDNUSA-N 2 1 345.487 3.339 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136865 1328692852 /nfs/dbraw/zinc/69/28/52/1328692852.db2.gz WPKDBCCVXCTOKS-SJORKVTESA-N 2 1 345.487 3.339 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136865 1328692858 /nfs/dbraw/zinc/69/28/58/1328692858.db2.gz WPKDBCCVXCTOKS-SJORKVTESA-N 2 1 345.487 3.339 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428097 1322750434 /nfs/dbraw/zinc/75/04/34/1322750434.db2.gz WEJIGJHZDSLZDD-JRGCBEDISA-N 2 1 341.499 3.211 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000865453483 1329699377 /nfs/dbraw/zinc/69/93/77/1329699377.db2.gz DXHLDZYGLKOLGI-UHFFFAOYSA-N 2 1 349.519 3.016 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001323150180 1387303132 /nfs/dbraw/zinc/30/31/32/1387303132.db2.gz QAVMECPTANROHD-IEBWSBKVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638806 1387414352 /nfs/dbraw/zinc/41/43/52/1387414352.db2.gz VHKGRZGBSYMZHJ-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001324339778 1387598370 /nfs/dbraw/zinc/59/83/70/1387598370.db2.gz NFADQOSBMJPDSL-GOSISDBHSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324505279 1387654437 /nfs/dbraw/zinc/65/44/37/1387654437.db2.gz IUGWNTCWFICOLQ-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266328222 1377275289 /nfs/dbraw/zinc/27/52/89/1377275289.db2.gz WUYFTIWHLKJXNC-KRWDZBQOSA-N 2 1 340.471 3.193 10 30 EGEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001274035238 1378113962 /nfs/dbraw/zinc/11/39/62/1378113962.db2.gz HFKANYPGORUNCE-KRWDZBQOSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001274035238 1378113968 /nfs/dbraw/zinc/11/39/68/1378113968.db2.gz HFKANYPGORUNCE-KRWDZBQOSA-N 2 1 341.499 3.069 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001279630446 1378316962 /nfs/dbraw/zinc/31/69/62/1378316962.db2.gz ATZUSNINEYTDPJ-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001279630446 1378316966 /nfs/dbraw/zinc/31/69/66/1378316966.db2.gz ATZUSNINEYTDPJ-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001279630446 1378316970 /nfs/dbraw/zinc/31/69/70/1378316970.db2.gz ATZUSNINEYTDPJ-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP C=CC1(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CCCCC1 ZINC001143145015 1378547474 /nfs/dbraw/zinc/54/74/74/1378547474.db2.gz DMCGASYHIRCOLL-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001282965841 1378690860 /nfs/dbraw/zinc/69/08/60/1378690860.db2.gz BVLWKVSOBMXGNN-LJQANCHMSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001282965841 1378690862 /nfs/dbraw/zinc/69/08/62/1378690862.db2.gz BVLWKVSOBMXGNN-LJQANCHMSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001282965841 1378690863 /nfs/dbraw/zinc/69/08/63/1378690863.db2.gz BVLWKVSOBMXGNN-LJQANCHMSA-N 2 1 349.563 3.366 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001283906502 1379252877 /nfs/dbraw/zinc/25/28/77/1379252877.db2.gz PAFCALWUDMJDFD-MJGOQNOKSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001328048669 1388653132 /nfs/dbraw/zinc/65/31/32/1388653132.db2.gz TYCBQOILYGRTIV-NRFANRHFSA-N 2 1 349.563 3.413 10 30 EGEEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001167659898 1383702449 /nfs/dbraw/zinc/70/24/49/1383702449.db2.gz WQOIPKSBELIQIN-KRWDZBQOSA-N 2 1 326.488 3.430 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317210368 1384989502 /nfs/dbraw/zinc/98/95/02/1384989502.db2.gz XPRPAJXERGHECD-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210368 1384989504 /nfs/dbraw/zinc/98/95/04/1384989504.db2.gz XPRPAJXERGHECD-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210368 1384989508 /nfs/dbraw/zinc/98/95/08/1384989508.db2.gz XPRPAJXERGHECD-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001318403295 1385674798 /nfs/dbraw/zinc/67/47/98/1385674798.db2.gz QTSURDGKTGEJRW-RTBURBONSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001318403295 1385674801 /nfs/dbraw/zinc/67/48/01/1385674801.db2.gz QTSURDGKTGEJRW-RTBURBONSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001318403295 1385674806 /nfs/dbraw/zinc/67/48/06/1385674806.db2.gz QTSURDGKTGEJRW-RTBURBONSA-N 2 1 337.552 3.362 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001319141737 1385974817 /nfs/dbraw/zinc/97/48/17/1385974817.db2.gz HSUPETZOSUFILP-MOPGFXCFSA-N 2 1 349.563 3.242 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001319651184 1386233566 /nfs/dbraw/zinc/23/35/66/1386233566.db2.gz LCGVVFOCAXSIIS-OALUTQOASA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001698683330 1406330720 /nfs/dbraw/zinc/33/07/20/1406330720.db2.gz OCNXTRJSOUKNBL-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001698717389 1406361428 /nfs/dbraw/zinc/36/14/28/1406361428.db2.gz MGGDTVBMMLCOMT-VAMGGRTRSA-N 2 1 343.515 3.273 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001329893098 1389248659 /nfs/dbraw/zinc/24/86/59/1389248659.db2.gz LHYUWDAMODSJRJ-QFBILLFUSA-N 2 1 341.515 3.040 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935278 1389262713 /nfs/dbraw/zinc/26/27/13/1389262713.db2.gz ARGFCRDWALRLJS-GOSISDBHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935278 1389262719 /nfs/dbraw/zinc/26/27/19/1389262719.db2.gz ARGFCRDWALRLJS-GOSISDBHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001331054565 1389612505 /nfs/dbraw/zinc/61/25/05/1389612505.db2.gz UKCMVPZXUZDPQJ-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001479643099 1392302903 /nfs/dbraw/zinc/30/29/03/1392302903.db2.gz PCTHPGPNCBDZPN-IPMKNSEASA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001479643099 1392302904 /nfs/dbraw/zinc/30/29/04/1392302904.db2.gz PCTHPGPNCBDZPN-IPMKNSEASA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001479643099 1392302907 /nfs/dbraw/zinc/30/29/07/1392302907.db2.gz PCTHPGPNCBDZPN-IPMKNSEASA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480710020 1392872227 /nfs/dbraw/zinc/87/22/27/1392872227.db2.gz NNCDZNQZIMUOOT-PMACEKPBSA-N 2 1 343.515 3.102 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480710020 1392872229 /nfs/dbraw/zinc/87/22/29/1392872229.db2.gz NNCDZNQZIMUOOT-PMACEKPBSA-N 2 1 343.515 3.102 10 30 EGEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480736989 1392902802 /nfs/dbraw/zinc/90/28/02/1392902802.db2.gz KHYCWTLOTAOLCW-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736989 1392902805 /nfs/dbraw/zinc/90/28/05/1392902805.db2.gz KHYCWTLOTAOLCW-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736989 1392902810 /nfs/dbraw/zinc/90/28/10/1392902810.db2.gz KHYCWTLOTAOLCW-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829933 1392969382 /nfs/dbraw/zinc/96/93/82/1392969382.db2.gz PXBXGCUGROQUNX-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001490768150 1394331509 /nfs/dbraw/zinc/33/15/09/1394331509.db2.gz JKWMEJCXHJULHI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001490768150 1394331515 /nfs/dbraw/zinc/33/15/15/1394331515.db2.gz JKWMEJCXHJULHI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001490768150 1394331519 /nfs/dbraw/zinc/33/15/19/1394331519.db2.gz JKWMEJCXHJULHI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001484891064 1395587698 /nfs/dbraw/zinc/58/76/98/1395587698.db2.gz CBSDANQRTOADND-FUHWJXTLSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493129589 1396336606 /nfs/dbraw/zinc/33/66/06/1396336606.db2.gz SATQFKIHTZMKDD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001493129589 1396336607 /nfs/dbraw/zinc/33/66/07/1396336607.db2.gz SATQFKIHTZMKDD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001493129589 1396336608 /nfs/dbraw/zinc/33/66/08/1396336608.db2.gz SATQFKIHTZMKDD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001690128777 1404322763 /nfs/dbraw/zinc/32/27/63/1404322763.db2.gz TUXNOFPSPYTPRR-RBUKOAKNSA-N 2 1 349.563 3.269 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001690357725 1404492477 /nfs/dbraw/zinc/49/24/77/1404492477.db2.gz DMOKYPVQOSDBTQ-HCXYKTFWSA-N 2 1 335.536 3.211 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001690533976 1404624586 /nfs/dbraw/zinc/62/45/86/1404624586.db2.gz DLJLMEKRJJTQNH-AOCRQIFASA-N 2 1 346.519 3.380 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690732839 1404701773 /nfs/dbraw/zinc/70/17/73/1404701773.db2.gz QVAWCGCYQUUJEH-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814203 1404748870 /nfs/dbraw/zinc/74/88/70/1404748870.db2.gz CAYCLIJRRIBSOA-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690814203 1404748872 /nfs/dbraw/zinc/74/88/72/1404748872.db2.gz CAYCLIJRRIBSOA-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690814203 1404748874 /nfs/dbraw/zinc/74/88/74/1404748874.db2.gz CAYCLIJRRIBSOA-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690824860 1404762546 /nfs/dbraw/zinc/76/25/46/1404762546.db2.gz MJESSROPYIVBBX-LJQANCHMSA-N 2 1 335.536 3.142 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691434869 1405267516 /nfs/dbraw/zinc/26/75/16/1405267516.db2.gz SKKGBEIMHHWTOF-HOJAQTOUSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001691692902 1405427426 /nfs/dbraw/zinc/42/74/26/1405427426.db2.gz VNVOLRZEIJLZRF-PXNSSMCTSA-N 2 1 343.515 3.082 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961588 1405680126 /nfs/dbraw/zinc/68/01/26/1405680126.db2.gz NJYOVBBORLSGCI-GUDVDZBRSA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691961588 1405680129 /nfs/dbraw/zinc/68/01/29/1405680129.db2.gz NJYOVBBORLSGCI-GUDVDZBRSA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691961588 1405680135 /nfs/dbraw/zinc/68/01/35/1405680135.db2.gz NJYOVBBORLSGCI-GUDVDZBRSA-N 2 1 337.552 3.077 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001699487466 1412883735 /nfs/dbraw/zinc/88/37/35/1412883735.db2.gz SZLFMBOVJZQDPF-MSOLQXFVSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001699695541 1413104658 /nfs/dbraw/zinc/10/46/58/1413104658.db2.gz ZTLMTAUJEDSTOW-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001699773379 1413181722 /nfs/dbraw/zinc/18/17/22/1413181722.db2.gz QUUUAFNZSDGOIM-KRWDZBQOSA-N 2 1 346.519 3.297 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001699874395 1413327713 /nfs/dbraw/zinc/32/77/13/1413327713.db2.gz OQVQOUYNCHVUCR-FPOVZHCZSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001699874395 1413327716 /nfs/dbraw/zinc/32/77/16/1413327716.db2.gz OQVQOUYNCHVUCR-FPOVZHCZSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001699874395 1413327720 /nfs/dbraw/zinc/32/77/20/1413327720.db2.gz OQVQOUYNCHVUCR-FPOVZHCZSA-N 2 1 349.563 3.293 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313023 1413768061 /nfs/dbraw/zinc/76/80/61/1413768061.db2.gz FASISSXLIOFYMX-QZTJIDSGSA-N 2 1 337.552 3.410 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001700352977 1413848413 /nfs/dbraw/zinc/84/84/13/1413848413.db2.gz JIXFDZIVGDUUHP-ZWKOTPCHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001700352977 1413848422 /nfs/dbraw/zinc/84/84/22/1413848422.db2.gz JIXFDZIVGDUUHP-ZWKOTPCHSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732792518 1428973518 /nfs/dbraw/zinc/97/35/18/1428973518.db2.gz ZFLQOEQLEOXBLT-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713133911 1417712033 /nfs/dbraw/zinc/71/20/33/1417712033.db2.gz CMLLIEITYIQOJO-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133911 1417712037 /nfs/dbraw/zinc/71/20/37/1417712037.db2.gz CMLLIEITYIQOJO-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133911 1417712042 /nfs/dbraw/zinc/71/20/42/1417712042.db2.gz CMLLIEITYIQOJO-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713134288 1417712590 /nfs/dbraw/zinc/71/25/90/1417712590.db2.gz KXVLCWIHLMJANE-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713216245 1417793074 /nfs/dbraw/zinc/79/30/74/1417793074.db2.gz BPDBCCKWDGQZFG-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713216245 1417793078 /nfs/dbraw/zinc/79/30/78/1417793078.db2.gz BPDBCCKWDGQZFG-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713216245 1417793083 /nfs/dbraw/zinc/79/30/83/1417793083.db2.gz BPDBCCKWDGQZFG-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713291498 1417918864 /nfs/dbraw/zinc/91/88/64/1417918864.db2.gz NKSCROUWTKQAEE-SOAGJPPSSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398067 1418016729 /nfs/dbraw/zinc/01/67/29/1418016729.db2.gz PXHSYLLXVPRZHE-UYAOXDASSA-N 2 1 349.563 3.384 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713741725 1418543719 /nfs/dbraw/zinc/54/37/19/1418543719.db2.gz NHWQXLAVTJFPRE-SFHVURJKSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713851641 1418648143 /nfs/dbraw/zinc/64/81/43/1418648143.db2.gz WMRXZRNQMGWQJX-ZWKOTPCHSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713892282 1418689513 /nfs/dbraw/zinc/68/95/13/1418689513.db2.gz UDFJAZGNAYTJIG-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713892282 1418689514 /nfs/dbraw/zinc/68/95/14/1418689514.db2.gz UDFJAZGNAYTJIG-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713892282 1418689517 /nfs/dbraw/zinc/68/95/17/1418689517.db2.gz UDFJAZGNAYTJIG-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047148 1418843328 /nfs/dbraw/zinc/84/33/28/1418843328.db2.gz SWXGJLWAIWQBSB-QZTJIDSGSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047148 1418843334 /nfs/dbraw/zinc/84/33/34/1418843334.db2.gz SWXGJLWAIWQBSB-QZTJIDSGSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001714067781 1418863785 /nfs/dbraw/zinc/86/37/85/1418863785.db2.gz SFUZILRBZBVXEO-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001733202890 1429308455 /nfs/dbraw/zinc/30/84/55/1429308455.db2.gz WBDJZQCBLDLKLB-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001714999042 1419730009 /nfs/dbraw/zinc/73/00/09/1419730009.db2.gz RPOAVDOFRBIPPC-RTBURBONSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001714999039 1419730066 /nfs/dbraw/zinc/73/00/66/1419730066.db2.gz RPOAVDOFRBIPPC-MOPGFXCFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017793 1419746944 /nfs/dbraw/zinc/74/69/44/1419746944.db2.gz RQLBDXJFWQAQJX-DOTOQJQBSA-N 2 1 349.544 3.311 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017793 1419746950 /nfs/dbraw/zinc/74/69/50/1419746950.db2.gz RQLBDXJFWQAQJX-DOTOQJQBSA-N 2 1 349.544 3.311 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001716766174 1420911879 /nfs/dbraw/zinc/91/18/79/1420911879.db2.gz VAOYQTLSRYDNLB-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900257 1421031243 /nfs/dbraw/zinc/03/12/43/1421031243.db2.gz NQOWOGIRXFJUNX-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036394 1421090548 /nfs/dbraw/zinc/09/05/48/1421090548.db2.gz DIXGWUJHMDCOIH-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036394 1421090552 /nfs/dbraw/zinc/09/05/52/1421090552.db2.gz DIXGWUJHMDCOIH-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717311767 1421255749 /nfs/dbraw/zinc/25/57/49/1421255749.db2.gz HVDQGKOAPIZRHI-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717356424 1421291561 /nfs/dbraw/zinc/29/15/61/1421291561.db2.gz XRDQZAAXCPBPFL-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632180 1421542286 /nfs/dbraw/zinc/54/22/86/1421542286.db2.gz BYZGUDSZNVUXJJ-SESVDKBCSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001717632180 1421542287 /nfs/dbraw/zinc/54/22/87/1421542287.db2.gz BYZGUDSZNVUXJJ-SESVDKBCSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001717632180 1421542289 /nfs/dbraw/zinc/54/22/89/1421542289.db2.gz BYZGUDSZNVUXJJ-SESVDKBCSA-N 2 1 349.563 3.079 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717681482 1421563930 /nfs/dbraw/zinc/56/39/30/1421563930.db2.gz FXFSCDVGDPDNHT-IEBWSBKVSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001717901488 1421697817 /nfs/dbraw/zinc/69/78/17/1421697817.db2.gz DDQSEXLUBQJADQ-AEFFLSMTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001717978637 1421749892 /nfs/dbraw/zinc/74/98/92/1421749892.db2.gz CSHNBRNBABYAAY-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001733449502 1429660741 /nfs/dbraw/zinc/66/07/41/1429660741.db2.gz RYVKRXNIFCJPAM-QGZVFWFLSA-N 2 1 346.519 3.191 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001724957554 1425344578 /nfs/dbraw/zinc/34/45/78/1425344578.db2.gz WDFKJVDKVVASAR-GOSISDBHSA-N 2 1 337.552 3.412 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724995196 1425401303 /nfs/dbraw/zinc/40/13/03/1425401303.db2.gz OKUDQRUGEGBPNB-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001724995196 1425401306 /nfs/dbraw/zinc/40/13/06/1425401306.db2.gz OKUDQRUGEGBPNB-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001724995196 1425401311 /nfs/dbraw/zinc/40/13/11/1425401311.db2.gz OKUDQRUGEGBPNB-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724995201 1425401451 /nfs/dbraw/zinc/40/14/51/1425401451.db2.gz OKUDQRUGEGBPNB-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001724995201 1425401456 /nfs/dbraw/zinc/40/14/56/1425401456.db2.gz OKUDQRUGEGBPNB-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001724995201 1425401458 /nfs/dbraw/zinc/40/14/58/1425401458.db2.gz OKUDQRUGEGBPNB-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001731351689 1427290724 /nfs/dbraw/zinc/29/07/24/1427290724.db2.gz AFOLGTYTFUQIBH-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001731366092 1427298263 /nfs/dbraw/zinc/29/82/63/1427298263.db2.gz WMFGUVGILBCDDC-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001731419294 1427393854 /nfs/dbraw/zinc/39/38/54/1427393854.db2.gz QKVDOEOMWPFIOC-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001731419293 1427394175 /nfs/dbraw/zinc/39/41/75/1427394175.db2.gz QKVDOEOMWPFIOC-IBGZPJMESA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731499904 1427479561 /nfs/dbraw/zinc/47/95/61/1427479561.db2.gz AMZWHBXCZQJENY-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731499904 1427479566 /nfs/dbraw/zinc/47/95/66/1427479566.db2.gz AMZWHBXCZQJENY-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731499904 1427479569 /nfs/dbraw/zinc/47/95/69/1427479569.db2.gz AMZWHBXCZQJENY-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731515167 1427502733 /nfs/dbraw/zinc/50/27/33/1427502733.db2.gz JQJSMGTYBITHAS-GUDVDZBRSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001731551579 1427572977 /nfs/dbraw/zinc/57/29/77/1427572977.db2.gz LODRHKYNHFAHHQ-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551579 1427572979 /nfs/dbraw/zinc/57/29/79/1427572979.db2.gz LODRHKYNHFAHHQ-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551579 1427572982 /nfs/dbraw/zinc/57/29/82/1427572982.db2.gz LODRHKYNHFAHHQ-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733607622 1429824409 /nfs/dbraw/zinc/82/44/09/1429824409.db2.gz TZOSJGUDXAWCTO-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607622 1429824416 /nfs/dbraw/zinc/82/44/16/1429824416.db2.gz TZOSJGUDXAWCTO-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607622 1429824423 /nfs/dbraw/zinc/82/44/23/1429824423.db2.gz TZOSJGUDXAWCTO-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607885 1429824946 /nfs/dbraw/zinc/82/49/46/1429824946.db2.gz XKMWEGAXZZFXQO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001733682845 1429896162 /nfs/dbraw/zinc/89/61/62/1429896162.db2.gz AHWDZTCIMBSIQP-MSOLQXFVSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734032797 1437820412 /nfs/dbraw/zinc/82/04/12/1437820412.db2.gz AXOHTHNSNQSDRV-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032797 1437820413 /nfs/dbraw/zinc/82/04/13/1437820413.db2.gz AXOHTHNSNQSDRV-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032797 1437820414 /nfs/dbraw/zinc/82/04/14/1437820414.db2.gz AXOHTHNSNQSDRV-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001734209242 1437944190 /nfs/dbraw/zinc/94/41/90/1437944190.db2.gz WCJCBILQUKMYRN-GUDVDZBRSA-N 2 1 347.547 3.092 10 30 EGEEMP CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001734626694 1438191379 /nfs/dbraw/zinc/19/13/79/1438191379.db2.gz VJNOXRSKVFECPT-FQEVSTJZSA-N 2 1 347.547 3.047 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001750930915 1440113231 /nfs/dbraw/zinc/11/32/31/1440113231.db2.gz ASWIZBICVZIKBM-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717939 460578208 /nfs/dbraw/zinc/57/82/08/460578208.db2.gz UJDVCISZPRQXMK-YLJYHZDGSA-N 2 1 341.499 3.063 10 30 EGEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246153919 455438286 /nfs/dbraw/zinc/43/82/86/455438286.db2.gz CLARDIOPLNPVGE-WIYYLYMNSA-N 2 1 327.516 3.137 10 30 EGEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246153919 455438288 /nfs/dbraw/zinc/43/82/88/455438288.db2.gz CLARDIOPLNPVGE-WIYYLYMNSA-N 2 1 327.516 3.137 10 30 EGEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135197854 454645950 /nfs/dbraw/zinc/64/59/50/454645950.db2.gz RAEKKWDCYMEPFX-QGZVFWFLSA-N 2 1 343.515 3.012 10 30 EGEEMP C#CCOc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325138 /nfs/dbraw/zinc/32/51/38/455325138.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 1 349.478 3.048 10 30 EGEEMP C#CCOc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325143 /nfs/dbraw/zinc/32/51/43/455325143.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 1 349.478 3.048 10 30 EGEEMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280687837 456032129 /nfs/dbraw/zinc/03/21/29/456032129.db2.gz ASOHJUOFNZQYSH-KCLUMXDGSA-N 2 1 328.500 3.468 10 30 EGEEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595892746 459478150 /nfs/dbraw/zinc/47/81/50/459478150.db2.gz LQQSDMYMBPYFAM-TYNCELHUSA-N 2 1 325.378 3.382 10 30 EGEEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595892746 459478156 /nfs/dbraw/zinc/47/81/56/459478156.db2.gz LQQSDMYMBPYFAM-TYNCELHUSA-N 2 1 325.378 3.382 10 30 EGEEMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895505 459480287 /nfs/dbraw/zinc/48/02/87/459480287.db2.gz OGZIULRVCYABTP-GJZGRUSLSA-N 2 1 337.389 3.399 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598973513 460111504 /nfs/dbraw/zinc/11/15/04/460111504.db2.gz KXSVNPRSHKEVQS-ADKAHSJRSA-N 2 1 342.487 3.106 10 30 EGEEMP C=CCc1cc(OC)cc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1O ZINC000872669673 1297047409 /nfs/dbraw/zinc/04/74/09/1297047409.db2.gz NVSIOOWTCGADAX-UHFFFAOYSA-N 2 1 332.488 3.436 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719627 1298937398 /nfs/dbraw/zinc/93/73/98/1298937398.db2.gz QAARKDXSFDYKDL-YOEHRIQHSA-N 2 1 335.879 3.469 10 30 EGEEMP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCCO1 ZINC000883174527 1302285797 /nfs/dbraw/zinc/28/57/97/1302285797.db2.gz MMSFWYZFUHTMGN-ROUUACIJSA-N 2 1 326.444 3.179 10 30 EGEEMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886620022 1303528057 /nfs/dbraw/zinc/52/80/57/1303528057.db2.gz AAEAIDWFANMENS-LUYSREMJSA-N 2 1 326.484 3.363 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924986394 1323236565 /nfs/dbraw/zinc/23/65/65/1323236565.db2.gz MAGLAHFMLNJBET-PXNSSMCTSA-N 2 1 330.520 3.070 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737022 1331173611 /nfs/dbraw/zinc/17/36/11/1331173611.db2.gz MCFNMGMKCDQPMT-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737022 1331173613 /nfs/dbraw/zinc/17/36/13/1331173613.db2.gz MCFNMGMKCDQPMT-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737022 1331173617 /nfs/dbraw/zinc/17/36/17/1331173617.db2.gz MCFNMGMKCDQPMT-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743481 1331176154 /nfs/dbraw/zinc/17/61/54/1331176154.db2.gz ATGVJKHBOWMTKF-PKOBYXMFSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743481 1331176157 /nfs/dbraw/zinc/17/61/57/1331176157.db2.gz ATGVJKHBOWMTKF-PKOBYXMFSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743481 1331176159 /nfs/dbraw/zinc/17/61/59/1331176159.db2.gz ATGVJKHBOWMTKF-PKOBYXMFSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940746110 1331177778 /nfs/dbraw/zinc/17/77/78/1331177778.db2.gz ZWNOFXOYAFEGTQ-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075954 1331322504 /nfs/dbraw/zinc/32/25/04/1331322504.db2.gz RMIZAJFHXZNISD-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237425 1331402576 /nfs/dbraw/zinc/40/25/76/1331402576.db2.gz NETKHJXXRJEEDJ-LJQANCHMSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645150 1387416467 /nfs/dbraw/zinc/41/64/67/1387416467.db2.gz XUVXOKIGNDFBCJ-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645150 1387416468 /nfs/dbraw/zinc/41/64/68/1387416468.db2.gz XUVXOKIGNDFBCJ-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816305 1387467050 /nfs/dbraw/zinc/46/70/50/1387467050.db2.gz NOESBWJNBPQXQP-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001326566672 1388242681 /nfs/dbraw/zinc/24/26/81/1388242681.db2.gz MZNUBLYRSZAEPX-MISYRCLQSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266884377 1377400071 /nfs/dbraw/zinc/40/00/71/1377400071.db2.gz OIWQNORZPVFFPG-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001276913163 1378192809 /nfs/dbraw/zinc/19/28/09/1378192809.db2.gz XMMNGDCAHJRWIL-NRSPTQNISA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276913163 1378192811 /nfs/dbraw/zinc/19/28/11/1378192811.db2.gz XMMNGDCAHJRWIL-NRSPTQNISA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276913163 1378192818 /nfs/dbraw/zinc/19/28/18/1378192818.db2.gz XMMNGDCAHJRWIL-NRSPTQNISA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001282972414 1378693947 /nfs/dbraw/zinc/69/39/47/1378693947.db2.gz IJSBALVVVBDVQL-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001282972414 1378693958 /nfs/dbraw/zinc/69/39/58/1378693958.db2.gz IJSBALVVVBDVQL-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001282972414 1378693964 /nfs/dbraw/zinc/69/39/64/1378693964.db2.gz IJSBALVVVBDVQL-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001284070930 1379433194 /nfs/dbraw/zinc/43/31/94/1379433194.db2.gz KUSPNLGWCBFOEW-UYAOXDASSA-N 2 1 346.519 3.344 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284599627 1380000192 /nfs/dbraw/zinc/00/01/92/1380000192.db2.gz VYNRABKDXFAUSB-OALUTQOASA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284619205 1380018710 /nfs/dbraw/zinc/01/87/10/1380018710.db2.gz QKXKQVOWIQHIDO-RTBURBONSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328098403 1388670201 /nfs/dbraw/zinc/67/02/01/1388670201.db2.gz MTWOCUTYGUUMAZ-GOSISDBHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001317722686 1385423340 /nfs/dbraw/zinc/42/33/40/1385423340.db2.gz YPEQEVPHRFSRRD-QGZVFWFLSA-N 2 1 349.906 3.060 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318437402 1385690176 /nfs/dbraw/zinc/69/01/76/1385690176.db2.gz PKZBIPRKAJUFBS-IBGZPJMESA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001318884549 1385869671 /nfs/dbraw/zinc/86/96/71/1385869671.db2.gz CKADLWCWMRWYPR-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001319459725 1386130767 /nfs/dbraw/zinc/13/07/67/1386130767.db2.gz BMVJUZWPZPJOAC-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001698661595 1406312230 /nfs/dbraw/zinc/31/22/30/1406312230.db2.gz JVZPIVZRHSWYHB-FXAWDEMLSA-N 2 1 346.519 3.203 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001479689130 1392320727 /nfs/dbraw/zinc/32/07/27/1392320727.db2.gz XZBQZLGCYBFAJO-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479691197 1392322692 /nfs/dbraw/zinc/32/26/92/1392322692.db2.gz XJPMQVVPIYYGKW-RTBURBONSA-N 2 1 337.552 3.412 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745191 1392360155 /nfs/dbraw/zinc/36/01/55/1392360155.db2.gz JGHZHGZZOVAVKC-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745191 1392360158 /nfs/dbraw/zinc/36/01/58/1392360158.db2.gz JGHZHGZZOVAVKC-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745191 1392360162 /nfs/dbraw/zinc/36/01/62/1392360162.db2.gz JGHZHGZZOVAVKC-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001479747305 1392364173 /nfs/dbraw/zinc/36/41/73/1392364173.db2.gz XBDQAUWHRPYJKB-MSOLQXFVSA-N 2 1 337.552 3.146 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480085249 1392574718 /nfs/dbraw/zinc/57/47/18/1392574718.db2.gz MVGGKXWYCFDMBP-IBGZPJMESA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189857 1392618953 /nfs/dbraw/zinc/61/89/53/1392618953.db2.gz TUVCNVYVKMBJJY-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480301595 1392666700 /nfs/dbraw/zinc/66/67/00/1392666700.db2.gz XEFUAXWMNOYILF-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001481054764 1393108088 /nfs/dbraw/zinc/10/80/88/1393108088.db2.gz SIMOTBHQKZATDO-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481054764 1393108089 /nfs/dbraw/zinc/10/80/89/1393108089.db2.gz SIMOTBHQKZATDO-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481054764 1393108090 /nfs/dbraw/zinc/10/80/90/1393108090.db2.gz SIMOTBHQKZATDO-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001698930571 1406667451 /nfs/dbraw/zinc/66/74/51/1406667451.db2.gz CDZFGUPSAXKGAD-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454780 1394232774 /nfs/dbraw/zinc/23/27/74/1394232774.db2.gz LCLINACAEKFPJI-PXNSSMCTSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491110211 1394431137 /nfs/dbraw/zinc/43/11/37/1394431137.db2.gz FJCZJBZKIZVFEF-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001491110211 1394431138 /nfs/dbraw/zinc/43/11/38/1394431138.db2.gz FJCZJBZKIZVFEF-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001491110211 1394431139 /nfs/dbraw/zinc/43/11/39/1394431139.db2.gz FJCZJBZKIZVFEF-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001698955513 1406701900 /nfs/dbraw/zinc/70/19/00/1406701900.db2.gz PFDKENDQQSNBBN-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001698955513 1406701909 /nfs/dbraw/zinc/70/19/09/1406701909.db2.gz PFDKENDQQSNBBN-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001698955513 1406701910 /nfs/dbraw/zinc/70/19/10/1406701910.db2.gz PFDKENDQQSNBBN-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481978358 1394640018 /nfs/dbraw/zinc/64/00/18/1394640018.db2.gz GWVUNLDBQXVXTE-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001482410866 1394975410 /nfs/dbraw/zinc/97/54/10/1394975410.db2.gz QOJUBRIFUVWDNL-OALUTQOASA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484170351 1395309896 /nfs/dbraw/zinc/30/98/96/1395309896.db2.gz ONKDTFWKRGUPJM-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170351 1395309901 /nfs/dbraw/zinc/30/99/01/1395309901.db2.gz ONKDTFWKRGUPJM-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170351 1395309904 /nfs/dbraw/zinc/30/99/04/1395309904.db2.gz ONKDTFWKRGUPJM-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001485779148 1396149159 /nfs/dbraw/zinc/14/91/59/1396149159.db2.gz VWTDVXRNZXXTRT-ROUUACIJSA-N 2 1 349.906 3.060 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001496350623 1396660692 /nfs/dbraw/zinc/66/06/92/1396660692.db2.gz ISIZKASIGBRYED-FUHWJXTLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001689131912 1396936858 /nfs/dbraw/zinc/93/68/58/1396936858.db2.gz XMMCLOBXUMQPBR-VAMGGRTRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001689261704 1396994369 /nfs/dbraw/zinc/99/43/69/1396994369.db2.gz BUQFSVKYHFESLP-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001689951950 1404223574 /nfs/dbraw/zinc/22/35/74/1404223574.db2.gz OQDKTKBBVRUKCP-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001689951950 1404223576 /nfs/dbraw/zinc/22/35/76/1404223576.db2.gz OQDKTKBBVRUKCP-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001689951950 1404223577 /nfs/dbraw/zinc/22/35/77/1404223577.db2.gz OQDKTKBBVRUKCP-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001690207083 1404414894 /nfs/dbraw/zinc/41/48/94/1404414894.db2.gz KRYXFDFKLJWKDG-KDURUIRLSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001690207083 1404414897 /nfs/dbraw/zinc/41/48/97/1404414897.db2.gz KRYXFDFKLJWKDG-KDURUIRLSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001690207083 1404414901 /nfs/dbraw/zinc/41/49/01/1404414901.db2.gz KRYXFDFKLJWKDG-KDURUIRLSA-N 2 1 335.536 3.116 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690386001 1404519165 /nfs/dbraw/zinc/51/91/65/1404519165.db2.gz TWLZYOHDJBWARE-LJQANCHMSA-N 2 1 349.563 3.293 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001690823160 1404759473 /nfs/dbraw/zinc/75/94/73/1404759473.db2.gz TXQQVLXUKJUZLJ-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823160 1404759474 /nfs/dbraw/zinc/75/94/74/1404759474.db2.gz TXQQVLXUKJUZLJ-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823160 1404759478 /nfs/dbraw/zinc/75/94/78/1404759478.db2.gz TXQQVLXUKJUZLJ-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691165891 1405100974 /nfs/dbraw/zinc/10/09/74/1405100974.db2.gz IRXJVAOEYQMQMK-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001691165891 1405100975 /nfs/dbraw/zinc/10/09/75/1405100975.db2.gz IRXJVAOEYQMQMK-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001691165891 1405100978 /nfs/dbraw/zinc/10/09/78/1405100978.db2.gz IRXJVAOEYQMQMK-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691823573 1405539376 /nfs/dbraw/zinc/53/93/76/1405539376.db2.gz SWKQHSRGQIFCEU-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001691998735 1405714152 /nfs/dbraw/zinc/71/41/52/1405714152.db2.gz NWHIZPCHQVWFIP-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001691998735 1405714157 /nfs/dbraw/zinc/71/41/57/1405714157.db2.gz NWHIZPCHQVWFIP-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001692132272 1405789505 /nfs/dbraw/zinc/78/95/05/1405789505.db2.gz TXVLRVNICHJOHD-LJQANCHMSA-N 2 1 346.519 3.299 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001732307428 1428522259 /nfs/dbraw/zinc/52/22/59/1428522259.db2.gz BNWFTKFAXJYXDA-VPAKFMSCSA-N 2 1 335.536 3.088 10 30 EGEEMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001699685519 1413084702 /nfs/dbraw/zinc/08/47/02/1413084702.db2.gz VBGNXRJXOXXUBL-FQEVSTJZSA-N 2 1 347.547 3.024 10 30 EGEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001699685519 1413084707 /nfs/dbraw/zinc/08/47/07/1413084707.db2.gz VBGNXRJXOXXUBL-FQEVSTJZSA-N 2 1 347.547 3.024 10 30 EGEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001699685519 1413084713 /nfs/dbraw/zinc/08/47/13/1413084713.db2.gz VBGNXRJXOXXUBL-FQEVSTJZSA-N 2 1 347.547 3.024 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001699824212 1413248047 /nfs/dbraw/zinc/24/80/47/1413248047.db2.gz PYRBNZFFMNBNES-PMACEKPBSA-N 2 1 335.536 3.023 10 30 EGEEMP CCCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001699824212 1413248050 /nfs/dbraw/zinc/24/80/50/1413248050.db2.gz PYRBNZFFMNBNES-PMACEKPBSA-N 2 1 335.536 3.023 10 30 EGEEMP CCCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001699824212 1413248051 /nfs/dbraw/zinc/24/80/51/1413248051.db2.gz PYRBNZFFMNBNES-PMACEKPBSA-N 2 1 335.536 3.023 10 30 EGEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001700091821 1413505496 /nfs/dbraw/zinc/50/54/96/1413505496.db2.gz PJWVMAGWLBYTOC-FXAWDEMLSA-N 2 1 343.515 3.041 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199158 1413641056 /nfs/dbraw/zinc/64/10/56/1413641056.db2.gz UHBFZMPZSNEKBA-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700443248 1414016272 /nfs/dbraw/zinc/01/62/72/1414016272.db2.gz YQRHCVHZAFXVNS-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700883221 1414540900 /nfs/dbraw/zinc/54/09/00/1414540900.db2.gz RESZZJCUJHBQRK-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087034 1417633177 /nfs/dbraw/zinc/63/31/77/1417633177.db2.gz BUSBJZLRGDHOIE-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713087034 1417633179 /nfs/dbraw/zinc/63/31/79/1417633179.db2.gz BUSBJZLRGDHOIE-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713087034 1417633181 /nfs/dbraw/zinc/63/31/81/1417633181.db2.gz BUSBJZLRGDHOIE-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001713718551 1418486908 /nfs/dbraw/zinc/48/69/08/1418486908.db2.gz JHJYDASNAJBIAC-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001713718551 1418486910 /nfs/dbraw/zinc/48/69/10/1418486910.db2.gz JHJYDASNAJBIAC-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713718551 1418486912 /nfs/dbraw/zinc/48/69/12/1418486912.db2.gz JHJYDASNAJBIAC-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713758546 1418564604 /nfs/dbraw/zinc/56/46/04/1418564604.db2.gz RZWBSLHXRVGOSL-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758546 1418564606 /nfs/dbraw/zinc/56/46/06/1418564606.db2.gz RZWBSLHXRVGOSL-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758546 1418564608 /nfs/dbraw/zinc/56/46/08/1418564608.db2.gz RZWBSLHXRVGOSL-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001714025874 1418811098 /nfs/dbraw/zinc/81/10/98/1418811098.db2.gz UVDRUWKWAWHQQU-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714025874 1418811099 /nfs/dbraw/zinc/81/10/99/1418811099.db2.gz UVDRUWKWAWHQQU-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714025874 1418811101 /nfs/dbraw/zinc/81/11/01/1418811101.db2.gz UVDRUWKWAWHQQU-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714118474 1418923189 /nfs/dbraw/zinc/92/31/89/1418923189.db2.gz SHCNPKVJWPUVHR-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714448464 1419180858 /nfs/dbraw/zinc/18/08/58/1419180858.db2.gz KDQKEEUSJGWYFH-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714448464 1419180859 /nfs/dbraw/zinc/18/08/59/1419180859.db2.gz KDQKEEUSJGWYFH-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714448464 1419180861 /nfs/dbraw/zinc/18/08/61/1419180861.db2.gz KDQKEEUSJGWYFH-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714522009 1419247758 /nfs/dbraw/zinc/24/77/58/1419247758.db2.gz JFWPJKDTVOJFTQ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714522009 1419247761 /nfs/dbraw/zinc/24/77/61/1419247761.db2.gz JFWPJKDTVOJFTQ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714522009 1419247762 /nfs/dbraw/zinc/24/77/62/1419247762.db2.gz JFWPJKDTVOJFTQ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001714632799 1419403735 /nfs/dbraw/zinc/40/37/35/1419403735.db2.gz BSAJVMVFYCFYHE-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714632799 1419403736 /nfs/dbraw/zinc/40/37/36/1419403736.db2.gz BSAJVMVFYCFYHE-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714632799 1419403737 /nfs/dbraw/zinc/40/37/37/1419403737.db2.gz BSAJVMVFYCFYHE-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714894657 1419634130 /nfs/dbraw/zinc/63/41/30/1419634130.db2.gz HAIRPQWTKAHXQP-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001714999040 1419729882 /nfs/dbraw/zinc/72/98/82/1419729882.db2.gz RPOAVDOFRBIPPC-OALUTQOASA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715045393 1419785862 /nfs/dbraw/zinc/78/58/62/1419785862.db2.gz OGLZYIBAMAHMIS-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001715484672 1420164459 /nfs/dbraw/zinc/16/44/59/1420164459.db2.gz KKLXFRDULXNOAK-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001715484672 1420164460 /nfs/dbraw/zinc/16/44/60/1420164460.db2.gz KKLXFRDULXNOAK-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001715484672 1420164463 /nfs/dbraw/zinc/16/44/63/1420164463.db2.gz KKLXFRDULXNOAK-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716063628 1420523069 /nfs/dbraw/zinc/52/30/69/1420523069.db2.gz PLKYRUWGTWEQHJ-AEFFLSMTSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001733272936 1429435878 /nfs/dbraw/zinc/43/58/78/1429435878.db2.gz XIWWSYNVIQLUQI-UMQXSMKFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001733276557 1429440957 /nfs/dbraw/zinc/44/09/57/1429440957.db2.gz UYGCMSHDLQJPTD-SXLOBPIMSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001733277551 1429443521 /nfs/dbraw/zinc/44/35/21/1429443521.db2.gz HJVZHWRSUPZBLY-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001733277551 1429443523 /nfs/dbraw/zinc/44/35/23/1429443523.db2.gz HJVZHWRSUPZBLY-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001733277551 1429443525 /nfs/dbraw/zinc/44/35/25/1429443525.db2.gz HJVZHWRSUPZBLY-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001716888051 1421011662 /nfs/dbraw/zinc/01/16/62/1421011662.db2.gz JUHSHZLDDVKMTR-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001716903208 1421036478 /nfs/dbraw/zinc/03/64/78/1421036478.db2.gz ZQFODATVGFLEMN-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001716903208 1421036480 /nfs/dbraw/zinc/03/64/80/1421036480.db2.gz ZQFODATVGFLEMN-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001716903208 1421036483 /nfs/dbraw/zinc/03/64/83/1421036483.db2.gz ZQFODATVGFLEMN-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717198232 1421165247 /nfs/dbraw/zinc/16/52/47/1421165247.db2.gz NSXGTEMKUVAXPO-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198232 1421165248 /nfs/dbraw/zinc/16/52/48/1421165248.db2.gz NSXGTEMKUVAXPO-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198232 1421165250 /nfs/dbraw/zinc/16/52/50/1421165250.db2.gz NSXGTEMKUVAXPO-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001717309056 1421251137 /nfs/dbraw/zinc/25/11/37/1421251137.db2.gz DNWQXDGCURFNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309056 1421251138 /nfs/dbraw/zinc/25/11/38/1421251138.db2.gz DNWQXDGCURFNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309056 1421251140 /nfs/dbraw/zinc/25/11/40/1421251140.db2.gz DNWQXDGCURFNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001717339276 1421277144 /nfs/dbraw/zinc/27/71/44/1421277144.db2.gz SYEGBOUGCGNVOQ-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001717339276 1421277146 /nfs/dbraw/zinc/27/71/46/1421277146.db2.gz SYEGBOUGCGNVOQ-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001717339276 1421277147 /nfs/dbraw/zinc/27/71/47/1421277147.db2.gz SYEGBOUGCGNVOQ-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001717339276 1421277149 /nfs/dbraw/zinc/27/71/49/1421277149.db2.gz SYEGBOUGCGNVOQ-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717356840 1421292188 /nfs/dbraw/zinc/29/21/88/1421292188.db2.gz NMXOKCSMCQIOMD-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717536164 1421473618 /nfs/dbraw/zinc/47/36/18/1421473618.db2.gz FJLQNKFYCAGOGP-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717536164 1421473619 /nfs/dbraw/zinc/47/36/19/1421473619.db2.gz FJLQNKFYCAGOGP-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717536164 1421473620 /nfs/dbraw/zinc/47/36/20/1421473620.db2.gz FJLQNKFYCAGOGP-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717624385 1421533265 /nfs/dbraw/zinc/53/32/65/1421533265.db2.gz QRLZOHXJYYBEMT-UFYCRDLUSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001723692293 1424533335 /nfs/dbraw/zinc/53/33/35/1424533335.db2.gz XCRNGGATQBEYND-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724126003 1424677211 /nfs/dbraw/zinc/67/72/11/1424677211.db2.gz NQAPBSLCKKJVCI-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001724294783 1424779572 /nfs/dbraw/zinc/77/95/72/1424779572.db2.gz YPKYRHBOKXZJID-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001724870347 1425254287 /nfs/dbraw/zinc/25/42/87/1425254287.db2.gz YIRFWAHQWRTEFS-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870347 1425254290 /nfs/dbraw/zinc/25/42/90/1425254290.db2.gz YIRFWAHQWRTEFS-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870347 1425254296 /nfs/dbraw/zinc/25/42/96/1425254296.db2.gz YIRFWAHQWRTEFS-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001724999279 1425407246 /nfs/dbraw/zinc/40/72/46/1425407246.db2.gz CIZPMWAYCFDJOT-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001725057796 1425496582 /nfs/dbraw/zinc/49/65/82/1425496582.db2.gz KKZHGFJXIUHQMJ-RBUKOAKNSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057796 1425496587 /nfs/dbraw/zinc/49/65/87/1425496587.db2.gz KKZHGFJXIUHQMJ-RBUKOAKNSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057796 1425496590 /nfs/dbraw/zinc/49/65/90/1425496590.db2.gz KKZHGFJXIUHQMJ-RBUKOAKNSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001725227752 1425797204 /nfs/dbraw/zinc/79/72/04/1425797204.db2.gz BLLPVIXRMTYQJV-RBUKOAKNSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335995 1425981977 /nfs/dbraw/zinc/98/19/77/1425981977.db2.gz LTSKKCKNMHIFDC-IPMKNSEASA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335995 1425981979 /nfs/dbraw/zinc/98/19/79/1425981979.db2.gz LTSKKCKNMHIFDC-IPMKNSEASA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335995 1425981982 /nfs/dbraw/zinc/98/19/82/1425981982.db2.gz LTSKKCKNMHIFDC-IPMKNSEASA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001725426313 1426088043 /nfs/dbraw/zinc/08/80/43/1426088043.db2.gz SAEHDNHHLSLJIG-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725426313 1426088050 /nfs/dbraw/zinc/08/80/50/1426088050.db2.gz SAEHDNHHLSLJIG-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725426313 1426088053 /nfs/dbraw/zinc/08/80/53/1426088053.db2.gz SAEHDNHHLSLJIG-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001725786202 1426471889 /nfs/dbraw/zinc/47/18/89/1426471889.db2.gz JUQPMPGEJCDNLP-DAWZGUTISA-N 2 1 349.906 3.011 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731761646 1427865612 /nfs/dbraw/zinc/86/56/12/1427865612.db2.gz WDPSCCOIFJMIDV-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001733580982 1429785175 /nfs/dbraw/zinc/78/51/75/1429785175.db2.gz TYDWZXPEODZQSP-BGYRXZFFSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760355 1429974873 /nfs/dbraw/zinc/97/48/73/1429974873.db2.gz KGIYZJFIUPXVMX-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782351 1430049068 /nfs/dbraw/zinc/04/90/68/1430049068.db2.gz GOLIYAXGMMXEKA-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001733814577 1430095644 /nfs/dbraw/zinc/09/56/44/1430095644.db2.gz RKNNCKZUZOKEIH-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000367616023 168249855 /nfs/dbraw/zinc/24/98/55/168249855.db2.gz MXKIYEHVKCBFKP-FHWLQOOXSA-N 2 1 329.513 3.254 10 30 EGEEMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716554 460576790 /nfs/dbraw/zinc/57/67/90/460576790.db2.gz HEXHBDJSAGPUPH-FXAWDEMLSA-N 2 1 341.499 3.063 10 30 EGEEMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245791370 455379846 /nfs/dbraw/zinc/37/98/46/455379846.db2.gz WDBQYJARPHRKER-FQEVSTJZSA-N 2 1 340.515 3.344 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000246091707 455424329 /nfs/dbraw/zinc/42/43/29/455424329.db2.gz IRMVUJKGOFSADI-QZTJIDSGSA-N 2 1 330.472 3.176 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000246091707 455424332 /nfs/dbraw/zinc/42/43/32/455424332.db2.gz IRMVUJKGOFSADI-QZTJIDSGSA-N 2 1 330.472 3.176 10 30 EGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246091707 455424335 /nfs/dbraw/zinc/42/43/35/455424335.db2.gz IRMVUJKGOFSADI-QZTJIDSGSA-N 2 1 330.472 3.176 10 30 EGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000246091707 455424336 /nfs/dbraw/zinc/42/43/36/455424336.db2.gz IRMVUJKGOFSADI-QZTJIDSGSA-N 2 1 330.472 3.176 10 30 EGEEMP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897767 455723639 /nfs/dbraw/zinc/72/36/39/455723639.db2.gz QDHCOLFUCIMKIM-NQIIRXRSSA-N 2 1 327.516 3.137 10 30 EGEEMP C=CCN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897767 455723644 /nfs/dbraw/zinc/72/36/44/455723644.db2.gz QDHCOLFUCIMKIM-NQIIRXRSSA-N 2 1 327.516 3.137 10 30 EGEEMP N#Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000592488128 459612428 /nfs/dbraw/zinc/61/24/28/459612428.db2.gz FXDSOABYURPBEB-CTNGQTDRSA-N 2 1 334.467 3.125 10 30 EGEEMP N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000592488128 459612432 /nfs/dbraw/zinc/61/24/32/459612432.db2.gz FXDSOABYURPBEB-CTNGQTDRSA-N 2 1 334.467 3.125 10 30 EGEEMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCN1c1cc[nH+]cc1 ZINC000895554559 1309399184 /nfs/dbraw/zinc/39/91/84/1309399184.db2.gz SVLJNENZIMLOTK-GOSISDBHSA-N 2 1 349.482 3.142 10 30 EGEEMP N#Cc1cc(Cl)cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000930806142 1328976394 /nfs/dbraw/zinc/97/63/94/1328976394.db2.gz NOHPMKCJBGMINZ-UHFFFAOYSA-N 2 1 326.831 3.319 10 30 EGEEMP N#Cc1cc(Cl)cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000930806142 1328976396 /nfs/dbraw/zinc/97/63/96/1328976396.db2.gz NOHPMKCJBGMINZ-UHFFFAOYSA-N 2 1 326.831 3.319 10 30 EGEEMP C=CC1(CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCCC1 ZINC000932577935 1329824587 /nfs/dbraw/zinc/82/45/87/1329824587.db2.gz TUQJOSINKSZVGT-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857779 1331223032 /nfs/dbraw/zinc/22/30/32/1331223032.db2.gz CZROQHYSFAHNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857779 1331223036 /nfs/dbraw/zinc/22/30/36/1331223036.db2.gz CZROQHYSFAHNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857779 1331223040 /nfs/dbraw/zinc/22/30/40/1331223040.db2.gz CZROQHYSFAHNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327131922 1388395301 /nfs/dbraw/zinc/39/53/01/1388395301.db2.gz VXBBEBFBPJTWOR-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001327299931 1388490355 /nfs/dbraw/zinc/49/03/55/1388490355.db2.gz QYSHLYKKAUWJCA-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299931 1388490359 /nfs/dbraw/zinc/49/03/59/1388490359.db2.gz QYSHLYKKAUWJCA-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299931 1388490361 /nfs/dbraw/zinc/49/03/61/1388490361.db2.gz QYSHLYKKAUWJCA-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001327299858 1388491083 /nfs/dbraw/zinc/49/10/83/1388491083.db2.gz PSXFFDZFKMKWDG-RTBURBONSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307736 1388494037 /nfs/dbraw/zinc/49/40/37/1388494037.db2.gz GQVORNVHIBFROL-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267315069 1377440109 /nfs/dbraw/zinc/44/01/09/1377440109.db2.gz GQYWDUYLEIXMFJ-UHFFFAOYSA-N 2 1 328.460 3.051 10 30 EGEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001282715092 1378574053 /nfs/dbraw/zinc/57/40/53/1378574053.db2.gz OHNFDLNXKXVPPJ-MSOLQXFVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973737 1378693376 /nfs/dbraw/zinc/69/33/76/1378693376.db2.gz WHIHEEYVZKWHHR-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328265671 1388703478 /nfs/dbraw/zinc/70/34/78/1388703478.db2.gz CLAHHDNMIZMOEO-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328265671 1388703481 /nfs/dbraw/zinc/70/34/81/1388703481.db2.gz CLAHHDNMIZMOEO-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328265671 1388703483 /nfs/dbraw/zinc/70/34/83/1388703483.db2.gz CLAHHDNMIZMOEO-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001328387542 1388734431 /nfs/dbraw/zinc/73/44/31/1388734431.db2.gz COTKIALUYPUETA-HKUYNNGSSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001316775870 1384574768 /nfs/dbraw/zinc/57/47/68/1384574768.db2.gz UIPYSQLZFGIKAA-VQTJNVASSA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035604 1384805631 /nfs/dbraw/zinc/80/56/31/1384805631.db2.gz NLZWYTIIKLKIOQ-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317035604 1384805635 /nfs/dbraw/zinc/80/56/35/1384805635.db2.gz NLZWYTIIKLKIOQ-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317035604 1384805641 /nfs/dbraw/zinc/80/56/41/1384805641.db2.gz NLZWYTIIKLKIOQ-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001317175786 1384947371 /nfs/dbraw/zinc/94/73/71/1384947371.db2.gz GOCFEMPEIFDNPG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317175786 1384947372 /nfs/dbraw/zinc/94/73/72/1384947372.db2.gz GOCFEMPEIFDNPG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317175786 1384947374 /nfs/dbraw/zinc/94/73/74/1384947374.db2.gz GOCFEMPEIFDNPG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317175786 1384947376 /nfs/dbraw/zinc/94/73/76/1384947376.db2.gz GOCFEMPEIFDNPG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382620 1385270854 /nfs/dbraw/zinc/27/08/54/1385270854.db2.gz SGQGLQYEEPLWAC-ACRUOGEOSA-N 2 1 328.500 3.158 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001319390212 1386099998 /nfs/dbraw/zinc/09/99/98/1386099998.db2.gz WSVGHQWOYXSQTI-IBGZPJMESA-N 2 1 343.515 3.274 10 30 EGEEMP C#CC[N@H+](CCC(C)(C)C#N)C1CCN(CCC(C)(C)C#N)CC1 ZINC001333468801 1390311894 /nfs/dbraw/zinc/31/18/94/1390311894.db2.gz PMYOYSRIWIRHSX-UHFFFAOYSA-N 2 1 328.504 3.266 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480331452 1392690382 /nfs/dbraw/zinc/69/03/82/1392690382.db2.gz LZOIELMQHCXAQE-HXUWFJFHSA-N 2 1 343.515 3.299 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372388 1392714193 /nfs/dbraw/zinc/71/41/93/1392714193.db2.gz JZNTXBMPTSXKIP-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372388 1392714196 /nfs/dbraw/zinc/71/41/96/1392714196.db2.gz JZNTXBMPTSXKIP-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360364 1394199761 /nfs/dbraw/zinc/19/97/61/1394199761.db2.gz RBEPOBXNONMKLC-WOJBJXKFSA-N 2 1 343.515 3.085 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001490597296 1394278458 /nfs/dbraw/zinc/27/84/58/1394278458.db2.gz OYTVNMPAFPJFFU-MOPGFXCFSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110416 1394430974 /nfs/dbraw/zinc/43/09/74/1394430974.db2.gz HFURUDKFUXPJKO-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001481845017 1394555362 /nfs/dbraw/zinc/55/53/62/1394555362.db2.gz YNTHHXQZCLXHHG-IEBWSBKVSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001482000829 1394659667 /nfs/dbraw/zinc/65/96/67/1394659667.db2.gz IIYIUDDCQAVFQF-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001482071414 1394734687 /nfs/dbraw/zinc/73/46/87/1394734687.db2.gz FPPLQCWKLMASEC-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001482071414 1394734691 /nfs/dbraw/zinc/73/46/91/1394734691.db2.gz FPPLQCWKLMASEC-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001482071414 1394734694 /nfs/dbraw/zinc/73/46/94/1394734694.db2.gz FPPLQCWKLMASEC-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001505401284 1396289322 /nfs/dbraw/zinc/28/93/22/1396289322.db2.gz XNTZDIPVQRJSAG-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492172043 1396312183 /nfs/dbraw/zinc/31/21/83/1396312183.db2.gz UNZSOEZRLIJVGD-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878255 1396506397 /nfs/dbraw/zinc/50/63/97/1396506397.db2.gz XYEVPWSMJHQRSG-ICSRJNTNSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878255 1396506399 /nfs/dbraw/zinc/50/63/99/1396506399.db2.gz XYEVPWSMJHQRSG-ICSRJNTNSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494878255 1396506404 /nfs/dbraw/zinc/50/64/04/1396506404.db2.gz XYEVPWSMJHQRSG-ICSRJNTNSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494878255 1396506407 /nfs/dbraw/zinc/50/64/07/1396506407.db2.gz XYEVPWSMJHQRSG-ICSRJNTNSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001690049405 1404281962 /nfs/dbraw/zinc/28/19/62/1404281962.db2.gz RFLOWQFOMYMRBP-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001690049405 1404281966 /nfs/dbraw/zinc/28/19/66/1404281966.db2.gz RFLOWQFOMYMRBP-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690049405 1404281968 /nfs/dbraw/zinc/28/19/68/1404281968.db2.gz RFLOWQFOMYMRBP-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690049405 1404281971 /nfs/dbraw/zinc/28/19/71/1404281971.db2.gz RFLOWQFOMYMRBP-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193484 1404399966 /nfs/dbraw/zinc/39/99/66/1404399966.db2.gz ZVMAVELBLOZUNN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690193484 1404399968 /nfs/dbraw/zinc/39/99/68/1404399968.db2.gz ZVMAVELBLOZUNN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690193484 1404399972 /nfs/dbraw/zinc/39/99/72/1404399972.db2.gz ZVMAVELBLOZUNN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690902542 1404810809 /nfs/dbraw/zinc/81/08/09/1404810809.db2.gz WSGOOWOJQYHCSN-KRWDZBQOSA-N 2 1 340.471 3.193 10 30 EGEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725748820 1426426742 /nfs/dbraw/zinc/42/67/42/1426426742.db2.gz DBUBCBOIDVSPRR-MSOLQXFVSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691784499 1405492598 /nfs/dbraw/zinc/49/25/98/1405492598.db2.gz DKXLCMJHKUQJQK-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001691784499 1405492602 /nfs/dbraw/zinc/49/26/02/1405492602.db2.gz DKXLCMJHKUQJQK-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001691818554 1405532934 /nfs/dbraw/zinc/53/29/34/1405532934.db2.gz FJVKZRDQPYTJGR-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818554 1405532942 /nfs/dbraw/zinc/53/29/42/1405532942.db2.gz FJVKZRDQPYTJGR-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818554 1405532945 /nfs/dbraw/zinc/53/29/45/1405532945.db2.gz FJVKZRDQPYTJGR-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001692330151 1405948353 /nfs/dbraw/zinc/94/83/53/1405948353.db2.gz VKLGIMBBRHPPBC-IBGZPJMESA-N 2 1 346.519 3.299 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001692364661 1405975336 /nfs/dbraw/zinc/97/53/36/1405975336.db2.gz JECNOPUCVYQGHU-FHWLQOOXSA-N 2 1 335.536 3.115 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001692364661 1405975341 /nfs/dbraw/zinc/97/53/41/1405975341.db2.gz JECNOPUCVYQGHU-FHWLQOOXSA-N 2 1 335.536 3.115 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001692364661 1405975345 /nfs/dbraw/zinc/97/53/45/1405975345.db2.gz JECNOPUCVYQGHU-FHWLQOOXSA-N 2 1 335.536 3.115 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001692372799 1405980800 /nfs/dbraw/zinc/98/08/00/1405980800.db2.gz NZOVIHGXSMBBQF-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001692372799 1405980803 /nfs/dbraw/zinc/98/08/03/1405980803.db2.gz NZOVIHGXSMBBQF-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001692372799 1405980805 /nfs/dbraw/zinc/98/08/05/1405980805.db2.gz NZOVIHGXSMBBQF-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001732531758 1428652832 /nfs/dbraw/zinc/65/28/32/1428652832.db2.gz ZUSAEMKWKLTZSK-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001699714176 1413127641 /nfs/dbraw/zinc/12/76/41/1413127641.db2.gz BOGIQKICVFBUSK-MSOLQXFVSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001699805628 1413220282 /nfs/dbraw/zinc/22/02/82/1413220282.db2.gz VUWDHUFUEMUOFV-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001699806476 1413221008 /nfs/dbraw/zinc/22/10/08/1413221008.db2.gz MFJXZJWADWHMFA-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001699879751 1413345951 /nfs/dbraw/zinc/34/59/51/1413345951.db2.gz XISYWVYWHHKFMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699879751 1413345953 /nfs/dbraw/zinc/34/59/53/1413345953.db2.gz XISYWVYWHHKFMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699879751 1413345959 /nfs/dbraw/zinc/34/59/59/1413345959.db2.gz XISYWVYWHHKFMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001699964420 1413405384 /nfs/dbraw/zinc/40/53/84/1413405384.db2.gz ALYHDMOYOABXHV-ROUUACIJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001700016772 1413461968 /nfs/dbraw/zinc/46/19/68/1413461968.db2.gz KXZWPRHKHDCIPZ-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016772 1413461971 /nfs/dbraw/zinc/46/19/71/1413461971.db2.gz KXZWPRHKHDCIPZ-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016772 1413461972 /nfs/dbraw/zinc/46/19/72/1413461972.db2.gz KXZWPRHKHDCIPZ-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001732549774 1428729189 /nfs/dbraw/zinc/72/91/89/1428729189.db2.gz WOTXILYZSNAGIX-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001700199462 1413641784 /nfs/dbraw/zinc/64/17/84/1413641784.db2.gz WIVLMFXYIMUVLD-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199462 1413641786 /nfs/dbraw/zinc/64/17/86/1413641786.db2.gz WIVLMFXYIMUVLD-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199462 1413641792 /nfs/dbraw/zinc/64/17/92/1413641792.db2.gz WIVLMFXYIMUVLD-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001700314620 1413771776 /nfs/dbraw/zinc/77/17/76/1413771776.db2.gz VWOIVFWMMVRDFW-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001701010079 1414669195 /nfs/dbraw/zinc/66/91/95/1414669195.db2.gz ULZOCODXNOJARG-HKUYNNGSSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713132037 1417707004 /nfs/dbraw/zinc/70/70/04/1417707004.db2.gz RFEJJJGIMHBECN-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713132037 1417707005 /nfs/dbraw/zinc/70/70/05/1417707005.db2.gz RFEJJJGIMHBECN-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713132037 1417707009 /nfs/dbraw/zinc/70/70/09/1417707009.db2.gz RFEJJJGIMHBECN-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713133912 1417711395 /nfs/dbraw/zinc/71/13/95/1417711395.db2.gz CMLLIEITYIQOJO-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133912 1417711397 /nfs/dbraw/zinc/71/13/97/1417711397.db2.gz CMLLIEITYIQOJO-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133912 1417711404 /nfs/dbraw/zinc/71/14/04/1417711404.db2.gz CMLLIEITYIQOJO-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001713262602 1417870923 /nfs/dbraw/zinc/87/09/23/1417870923.db2.gz OHMQJQDMRDTFHO-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713511228 1418239153 /nfs/dbraw/zinc/23/91/53/1418239153.db2.gz PXURABYWTISZJL-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001713689324 1418443060 /nfs/dbraw/zinc/44/30/60/1418443060.db2.gz BSALXOUOGRFNAW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001713689324 1418443063 /nfs/dbraw/zinc/44/30/63/1418443063.db2.gz BSALXOUOGRFNAW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001713689324 1418443065 /nfs/dbraw/zinc/44/30/65/1418443065.db2.gz BSALXOUOGRFNAW-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146666 1418951653 /nfs/dbraw/zinc/95/16/53/1418951653.db2.gz ZPQZWSCWILZNIA-VQTJNVASSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001715203955 1419937285 /nfs/dbraw/zinc/93/72/85/1419937285.db2.gz CHCBRTIXOHPUMP-BJLQDIEVSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001715400822 1420099833 /nfs/dbraw/zinc/09/98/33/1420099833.db2.gz DWKMZAMHCIGIGK-WOJBJXKFSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715485714 1420166436 /nfs/dbraw/zinc/16/64/36/1420166436.db2.gz YHIUYHIUKNUHCJ-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001715545569 1420242841 /nfs/dbraw/zinc/24/28/41/1420242841.db2.gz QAWOCIPPNXHXKG-ICSRJNTNSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001715545569 1420242843 /nfs/dbraw/zinc/24/28/43/1420242843.db2.gz QAWOCIPPNXHXKG-ICSRJNTNSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001715545569 1420242845 /nfs/dbraw/zinc/24/28/45/1420242845.db2.gz QAWOCIPPNXHXKG-ICSRJNTNSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704649 1420859125 /nfs/dbraw/zinc/85/91/25/1420859125.db2.gz YNTOSFYSISNXEP-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001716731585 1420890004 /nfs/dbraw/zinc/89/00/04/1420890004.db2.gz KKPDRSLSKAJGJI-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716731585 1420890006 /nfs/dbraw/zinc/89/00/06/1420890006.db2.gz KKPDRSLSKAJGJI-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716731585 1420890010 /nfs/dbraw/zinc/89/00/10/1420890010.db2.gz KKPDRSLSKAJGJI-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001716811274 1420937376 /nfs/dbraw/zinc/93/73/76/1420937376.db2.gz UAESSQQHAIUPFK-UHFFFAOYSA-N 2 1 349.563 3.081 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001717040859 1421094788 /nfs/dbraw/zinc/09/47/88/1421094788.db2.gz JVNXCXWPIBCECK-RBUKOAKNSA-N 2 1 346.519 3.085 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001717040859 1421094791 /nfs/dbraw/zinc/09/47/91/1421094791.db2.gz JVNXCXWPIBCECK-RBUKOAKNSA-N 2 1 346.519 3.085 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001717127868 1421129367 /nfs/dbraw/zinc/12/93/67/1421129367.db2.gz FYQYMLRUQQBDOR-MOPGFXCFSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001717447386 1421377063 /nfs/dbraw/zinc/37/70/63/1421377063.db2.gz KRGXJFRQZKWHHD-AFMYVXGZSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001717557441 1421493705 /nfs/dbraw/zinc/49/37/05/1421493705.db2.gz OBJUOKXQTMKMAR-YLJYHZDGSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001717557435 1421493810 /nfs/dbraw/zinc/49/38/10/1421493810.db2.gz OBJUOKXQTMKMAR-XLIONFOSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836079 1421649496 /nfs/dbraw/zinc/64/94/96/1421649496.db2.gz GEECCQNRVGEYKQ-CTNGQTDRSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836079 1421649498 /nfs/dbraw/zinc/64/94/98/1421649498.db2.gz GEECCQNRVGEYKQ-CTNGQTDRSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836079 1421649500 /nfs/dbraw/zinc/64/95/00/1421649500.db2.gz GEECCQNRVGEYKQ-CTNGQTDRSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001717983007 1421755289 /nfs/dbraw/zinc/75/52/89/1421755289.db2.gz RURSOCFYONIWAU-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717984009 1421756049 /nfs/dbraw/zinc/75/60/49/1421756049.db2.gz PNGCNBJOTDQRAG-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001723691801 1424531928 /nfs/dbraw/zinc/53/19/28/1424531928.db2.gz RXFOHOGVUSQINK-CTNGQTDRSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001723691801 1424531939 /nfs/dbraw/zinc/53/19/39/1424531939.db2.gz RXFOHOGVUSQINK-CTNGQTDRSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001723691801 1424531941 /nfs/dbraw/zinc/53/19/41/1424531941.db2.gz RXFOHOGVUSQINK-CTNGQTDRSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652447 1425014118 /nfs/dbraw/zinc/01/41/18/1425014118.db2.gz FPYDAUDSYSAKJR-MOPGFXCFSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001724652798 1425014937 /nfs/dbraw/zinc/01/49/37/1425014937.db2.gz TUEMIOJUQLLXLD-RBUKOAKNSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001724652798 1425014942 /nfs/dbraw/zinc/01/49/42/1425014942.db2.gz TUEMIOJUQLLXLD-RBUKOAKNSA-N 2 1 346.519 3.227 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733568929 1429771432 /nfs/dbraw/zinc/77/14/32/1429771432.db2.gz VXGYPYAUTLUTQG-VAMGGRTRSA-N 2 1 349.563 3.339 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001725611211 1426270516 /nfs/dbraw/zinc/27/05/16/1426270516.db2.gz WQXFRWZRMYLIPW-GHTZIAJQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001731517595 1427505793 /nfs/dbraw/zinc/50/57/93/1427505793.db2.gz DBEZMSKUSBHRJA-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001733762625 1429979228 /nfs/dbraw/zinc/97/92/28/1429979228.db2.gz BURQGNOFVGNBAN-RTBURBONSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733762625 1429979229 /nfs/dbraw/zinc/97/92/29/1429979229.db2.gz BURQGNOFVGNBAN-RTBURBONSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733762625 1429979231 /nfs/dbraw/zinc/97/92/31/1429979231.db2.gz BURQGNOFVGNBAN-RTBURBONSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733767074 1429990716 /nfs/dbraw/zinc/99/07/16/1429990716.db2.gz PAXFOWJZSCCDLS-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733805610 1430075982 /nfs/dbraw/zinc/07/59/82/1430075982.db2.gz UMJCZTMHQPBIAW-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001733868900 1437695535 /nfs/dbraw/zinc/69/55/35/1437695535.db2.gz QIMNDIZIZKOENM-UHFFFAOYSA-N 2 1 334.508 3.133 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC001733875069 1437701483 /nfs/dbraw/zinc/70/14/83/1437701483.db2.gz HDLIISQMDOYPMF-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875069 1437701486 /nfs/dbraw/zinc/70/14/86/1437701486.db2.gz HDLIISQMDOYPMF-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875069 1437701488 /nfs/dbraw/zinc/70/14/88/1437701488.db2.gz HDLIISQMDOYPMF-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000600716471 460576663 /nfs/dbraw/zinc/57/66/63/460576663.db2.gz GLCRDSKCGIANAP-YLJYHZDGSA-N 2 1 341.499 3.205 10 30 EGEEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124730 457468153 /nfs/dbraw/zinc/46/81/53/457468153.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 1 325.378 3.492 10 30 EGEEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124730 457468157 /nfs/dbraw/zinc/46/81/57/457468157.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 1 325.378 3.492 10 30 EGEEMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000518990876 458905684 /nfs/dbraw/zinc/90/56/84/458905684.db2.gz VMYXKIYNGMVZLQ-UHFFFAOYSA-N 2 1 337.423 3.429 10 30 EGEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000518990876 458905687 /nfs/dbraw/zinc/90/56/87/458905687.db2.gz VMYXKIYNGMVZLQ-UHFFFAOYSA-N 2 1 337.423 3.429 10 30 EGEEMP C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC[NH2+]1 ZINC000662749651 461363484 /nfs/dbraw/zinc/36/34/84/461363484.db2.gz GJFJJCIJDGMXPL-YWZLYKJASA-N 2 1 338.455 3.056 10 30 EGEEMP N#Cc1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000721577789 1298332318 /nfs/dbraw/zinc/33/23/18/1298332318.db2.gz AJAUURUHWNCMCH-UHFFFAOYSA-N 2 1 346.478 3.441 10 30 EGEEMP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926863334 1327745354 /nfs/dbraw/zinc/74/53/54/1327745354.db2.gz KMZAKTZEVKKRAH-VKEMMKHGSA-N 2 1 328.500 3.489 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076272 1331321831 /nfs/dbraw/zinc/32/18/31/1331321831.db2.gz VCGCCUWWUACIOB-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001323812361 1387463222 /nfs/dbraw/zinc/46/32/22/1387463222.db2.gz KSRYBQNETIBNRW-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323812361 1387463225 /nfs/dbraw/zinc/46/32/25/1387463225.db2.gz KSRYBQNETIBNRW-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323812361 1387463228 /nfs/dbraw/zinc/46/32/28/1387463228.db2.gz KSRYBQNETIBNRW-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001323813254 1387465181 /nfs/dbraw/zinc/46/51/81/1387465181.db2.gz QEDVJXOJJGZZGF-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001326490694 1388215424 /nfs/dbraw/zinc/21/54/24/1388215424.db2.gz SQAWOGMWKNJANC-PKOBYXMFSA-N 2 1 343.515 3.261 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266240825 1377243383 /nfs/dbraw/zinc/24/33/83/1377243383.db2.gz DKGDTNZSHWYEOK-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251839 1377249326 /nfs/dbraw/zinc/24/93/26/1377249326.db2.gz HIMLCISSXXNDRD-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279574757 1378312600 /nfs/dbraw/zinc/31/26/00/1378312600.db2.gz BCLBTLVSFMKHER-UFYCRDLUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574757 1378312604 /nfs/dbraw/zinc/31/26/04/1378312604.db2.gz BCLBTLVSFMKHER-UFYCRDLUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574757 1378312608 /nfs/dbraw/zinc/31/26/08/1378312608.db2.gz BCLBTLVSFMKHER-UFYCRDLUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328578405 1388780528 /nfs/dbraw/zinc/78/05/28/1388780528.db2.gz OBHRVQZWBMSARW-KRWDZBQOSA-N 2 1 346.519 3.107 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328578405 1388780530 /nfs/dbraw/zinc/78/05/30/1388780530.db2.gz OBHRVQZWBMSARW-KRWDZBQOSA-N 2 1 346.519 3.107 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797073 1388868177 /nfs/dbraw/zinc/86/81/77/1388868177.db2.gz LOEDAOWTKBQOLN-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP Clc1cccc(C#CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001307875240 1384048353 /nfs/dbraw/zinc/04/83/53/1384048353.db2.gz IRZCQNOTAIQRDT-UHFFFAOYSA-N 2 1 325.843 3.299 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316996953 1384753874 /nfs/dbraw/zinc/75/38/74/1384753874.db2.gz AZKOFOFPZJFRQK-QRVBRYPASA-N 2 1 349.563 3.268 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445884 1385146305 /nfs/dbraw/zinc/14/63/05/1385146305.db2.gz MKZSNKIYUCIGBR-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317445884 1385146307 /nfs/dbraw/zinc/14/63/07/1385146307.db2.gz MKZSNKIYUCIGBR-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317445884 1385146310 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C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269436 1417879453 /nfs/dbraw/zinc/87/94/53/1417879453.db2.gz DFIGHALISVBODX-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713767148 1418581338 /nfs/dbraw/zinc/58/13/38/1418581338.db2.gz ZSOMHYDFSSOISO-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713897401 1418696035 /nfs/dbraw/zinc/69/60/35/1418696035.db2.gz JWHVIURNRUEDNV-SJORKVTESA-N 2 1 343.943 3.030 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714153639 1418961022 /nfs/dbraw/zinc/96/10/22/1418961022.db2.gz KGPCIBALACXPDQ-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153639 1418961024 /nfs/dbraw/zinc/96/10/24/1418961024.db2.gz KGPCIBALACXPDQ-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153639 1418961027 /nfs/dbraw/zinc/96/10/27/1418961027.db2.gz KGPCIBALACXPDQ-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714158289 1418969611 /nfs/dbraw/zinc/96/96/11/1418969611.db2.gz YHSYFDQJIBXMMT-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452632 1419185505 /nfs/dbraw/zinc/18/55/05/1419185505.db2.gz CELVOCCADADISZ-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714915390 1419665610 /nfs/dbraw/zinc/66/56/10/1419665610.db2.gz UAVQRNMIUVTMMP-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017802 1419747017 /nfs/dbraw/zinc/74/70/17/1419747017.db2.gz RQLBDXJFWQAQJX-WBVHZDCISA-N 2 1 349.544 3.311 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017802 1419747022 /nfs/dbraw/zinc/74/70/22/1419747022.db2.gz RQLBDXJFWQAQJX-WBVHZDCISA-N 2 1 349.544 3.311 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715249114 1419974811 /nfs/dbraw/zinc/97/48/11/1419974811.db2.gz TXAGJJLUFVYNCO-MJGOQNOKSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716516073 1420745699 /nfs/dbraw/zinc/74/56/99/1420745699.db2.gz MWRWJTPUWIUPHM-QUCCMNQESA-N 2 1 349.563 3.482 10 30 EGEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001716715047 1420870705 /nfs/dbraw/zinc/87/07/05/1420870705.db2.gz JSKQMNWLTCFCLN-QZTJIDSGSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001716724370 1420882689 /nfs/dbraw/zinc/88/26/89/1420882689.db2.gz DJOCTOVDHJMFPQ-FPOVZHCZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724370 1420882691 /nfs/dbraw/zinc/88/26/91/1420882691.db2.gz DJOCTOVDHJMFPQ-FPOVZHCZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724370 1420882693 /nfs/dbraw/zinc/88/26/93/1420882693.db2.gz DJOCTOVDHJMFPQ-FPOVZHCZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001716885552 1421008918 /nfs/dbraw/zinc/00/89/18/1421008918.db2.gz VMVGHZYPHWHNMB-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001716903207 1421036253 /nfs/dbraw/zinc/03/62/53/1421036253.db2.gz ZQFODATVGFLEMN-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001716903207 1421036256 /nfs/dbraw/zinc/03/62/56/1421036256.db2.gz ZQFODATVGFLEMN-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001716903207 1421036258 /nfs/dbraw/zinc/03/62/58/1421036258.db2.gz ZQFODATVGFLEMN-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717338948 1421276782 /nfs/dbraw/zinc/27/67/82/1421276782.db2.gz GKSGGTLFMXEJHW-YLJYHZDGSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001717344108 1421283351 /nfs/dbraw/zinc/28/33/51/1421283351.db2.gz JBOJLJNCMPITKS-FQEVSTJZSA-N 2 1 343.515 3.010 10 30 EGEEMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001717344108 1421283352 /nfs/dbraw/zinc/28/33/52/1421283352.db2.gz JBOJLJNCMPITKS-FQEVSTJZSA-N 2 1 343.515 3.010 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001717344108 1421283353 /nfs/dbraw/zinc/28/33/53/1421283353.db2.gz JBOJLJNCMPITKS-FQEVSTJZSA-N 2 1 343.515 3.010 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001717838906 1421652598 /nfs/dbraw/zinc/65/25/98/1421652598.db2.gz YYQQPHCTQZESKX-SQGPQFPESA-N 2 1 344.503 3.086 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001717838906 1421652599 /nfs/dbraw/zinc/65/25/99/1421652599.db2.gz YYQQPHCTQZESKX-SQGPQFPESA-N 2 1 344.503 3.086 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001717964373 1421735428 /nfs/dbraw/zinc/73/54/28/1421735428.db2.gz SYCSBDZJWIWBIC-SFHVURJKSA-N 2 1 337.552 3.338 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001733385644 1429572835 /nfs/dbraw/zinc/57/28/35/1429572835.db2.gz SNKSTJCNCHDASN-WOJBJXKFSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733449006 1429660061 /nfs/dbraw/zinc/66/00/61/1429660061.db2.gz DVNXUOFOWGTFFX-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001724225230 1424743052 /nfs/dbraw/zinc/74/30/52/1424743052.db2.gz OSPLHDWHMVTJQK-FQEVSTJZSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342632 1424839224 /nfs/dbraw/zinc/83/92/24/1424839224.db2.gz BJOJVOPZYBQHPL-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657578 1425024036 /nfs/dbraw/zinc/02/40/36/1425024036.db2.gz ZPLWOZIHTINDEW-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001724657578 1425024040 /nfs/dbraw/zinc/02/40/40/1425024040.db2.gz ZPLWOZIHTINDEW-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001724657578 1425024046 /nfs/dbraw/zinc/02/40/46/1425024046.db2.gz ZPLWOZIHTINDEW-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979098 1425380599 /nfs/dbraw/zinc/38/05/99/1425380599.db2.gz KRGDAYNKYVOOAK-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001725133748 1425605956 /nfs/dbraw/zinc/60/59/56/1425605956.db2.gz UMHCECRCJSJMIQ-ACBHZAAOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001725210055 1425769560 /nfs/dbraw/zinc/76/95/60/1425769560.db2.gz DHCHSLLFQDUJDM-PMACEKPBSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725423842 1426079262 /nfs/dbraw/zinc/07/92/62/1426079262.db2.gz BNSSSEVALYXHKY-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001725642660 1426321819 /nfs/dbraw/zinc/32/18/19/1426321819.db2.gz WKTNMUXVZLBTHO-MSOLQXFVSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001731350963 1427289417 /nfs/dbraw/zinc/28/94/17/1427289417.db2.gz PZRBHUWJEWJTHG-IEBWSBKVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001731377947 1427312786 /nfs/dbraw/zinc/31/27/86/1427312786.db2.gz OLXWIMBSLRRNCL-SFHVURJKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731502833 1427485023 /nfs/dbraw/zinc/48/50/23/1427485023.db2.gz KIRTZEACVHRRNN-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731542146 1427552663 /nfs/dbraw/zinc/55/26/63/1427552663.db2.gz DXRWZPBJHLQIHO-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731542146 1427552669 /nfs/dbraw/zinc/55/26/69/1427552669.db2.gz DXRWZPBJHLQIHO-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731542146 1427552672 /nfs/dbraw/zinc/55/26/72/1427552672.db2.gz DXRWZPBJHLQIHO-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001734104501 1437890244 /nfs/dbraw/zinc/89/02/44/1437890244.db2.gz VXMLESLLKXEFFE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001734104501 1437890246 /nfs/dbraw/zinc/89/02/46/1437890246.db2.gz VXMLESLLKXEFFE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001734104501 1437890248 /nfs/dbraw/zinc/89/02/48/1437890248.db2.gz VXMLESLLKXEFFE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001734614563 1438187540 /nfs/dbraw/zinc/18/75/40/1438187540.db2.gz VPNXICOPXMHAJE-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600716467 460576162 /nfs/dbraw/zinc/57/61/62/460576162.db2.gz GLCRDSKCGIANAP-PXNSSMCTSA-N 2 1 341.499 3.205 10 30 EGEEMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000353410302 456684040 /nfs/dbraw/zinc/68/40/40/456684040.db2.gz GYMSLSAVZBGKKB-JOCHJYFZSA-N 2 1 347.462 3.168 10 30 EGEEMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000593646751 459939893 /nfs/dbraw/zinc/93/98/93/459939893.db2.gz QRWPKPXWKKRRFN-UHFFFAOYSA-N 2 1 328.504 3.095 10 30 EGEEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176092 460039881 /nfs/dbraw/zinc/03/98/81/460039881.db2.gz BDTMHCMPMONXTH-AABGKKOBSA-N 2 1 341.499 3.171 10 30 EGEEMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570765 1296461605 /nfs/dbraw/zinc/46/16/05/1296461605.db2.gz XCJFIBMJSUDHRY-WMLDXEAASA-N 2 1 334.895 3.132 10 30 EGEEMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000708525906 1298239291 /nfs/dbraw/zinc/23/92/91/1298239291.db2.gz CNWMHUWGIYRHAB-UTKZUKDTSA-N 2 1 349.478 3.425 10 30 EGEEMP C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000930117492 1328789935 /nfs/dbraw/zinc/78/99/35/1328789935.db2.gz OKMQNVNTRLLYAI-UHFFFAOYSA-N 2 1 349.478 3.190 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853465 1331221166 /nfs/dbraw/zinc/22/11/66/1331221166.db2.gz RMPVPUCLBLQDSR-SFHVURJKSA-N 2 1 340.471 3.049 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236800 1331401493 /nfs/dbraw/zinc/40/14/93/1331401493.db2.gz ASSYROQRFBJTBI-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236800 1331401497 /nfs/dbraw/zinc/40/14/97/1331401497.db2.gz ASSYROQRFBJTBI-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871178 1387483417 /nfs/dbraw/zinc/48/34/17/1387483417.db2.gz ARYIOGYXIVIWHP-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871179 1387483792 /nfs/dbraw/zinc/48/37/92/1387483792.db2.gz ARYIOGYXIVIWHP-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324505282 1387654682 /nfs/dbraw/zinc/65/46/82/1387654682.db2.gz IUGWNTCWFICOLQ-OALUTQOASA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899325 1388073051 /nfs/dbraw/zinc/07/30/51/1388073051.db2.gz OZIISSSGYWHQID-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001325919283 1388083177 /nfs/dbraw/zinc/08/31/77/1388083177.db2.gz HSFKJACNKZDWSG-VAMGGRTRSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325919280 1388083224 /nfs/dbraw/zinc/08/32/24/1388083224.db2.gz HSFKJACNKZDWSG-SLFFLAALSA-N 2 1 347.547 3.282 10 30 EGEEMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001120589355 1371628418 /nfs/dbraw/zinc/62/84/18/1371628418.db2.gz CDVHHWYUHHQYTK-QGZVFWFLSA-N 2 1 341.282 3.104 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309956 1388495163 /nfs/dbraw/zinc/49/51/63/1388495163.db2.gz ZWWAQIPTXJZKHZ-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP 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KPTACAPNIZIBCJ-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316944226 1384716588 /nfs/dbraw/zinc/71/65/88/1384716588.db2.gz KPTACAPNIZIBCJ-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316944226 1384716593 /nfs/dbraw/zinc/71/65/93/1384716593.db2.gz KPTACAPNIZIBCJ-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951563 1384726391 /nfs/dbraw/zinc/72/63/91/1384726391.db2.gz AWLXXIUTUCJJIW-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317050032 1384826778 /nfs/dbraw/zinc/82/67/78/1384826778.db2.gz PKLDRAHGZYMDEH-WTGUMLROSA-N 2 1 347.547 3.281 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001317688331 1385400218 /nfs/dbraw/zinc/40/02/18/1385400218.db2.gz WOFNCYZMVOBJLF-IEBWSBKVSA-N 2 1 335.536 3.044 10 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C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480266205 1392650464 /nfs/dbraw/zinc/65/04/64/1392650464.db2.gz QXCOSGJRZVVBEV-LJQANCHMSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001480324413 1392684145 /nfs/dbraw/zinc/68/41/45/1392684145.db2.gz QNYTZGWHXAYHAR-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480324413 1392684146 /nfs/dbraw/zinc/68/41/46/1392684146.db2.gz QNYTZGWHXAYHAR-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480324413 1392684148 /nfs/dbraw/zinc/68/41/48/1392684148.db2.gz QNYTZGWHXAYHAR-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482452572 1395011025 /nfs/dbraw/zinc/01/10/25/1395011025.db2.gz FIYIYCXOBHZHMA-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482508006 1395062066 /nfs/dbraw/zinc/06/20/66/1395062066.db2.gz VRCFHWXXYMFHAM-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484176689 1395323445 /nfs/dbraw/zinc/32/34/45/1395323445.db2.gz ZVJSMJAYZMLFQI-HXUWFJFHSA-N 2 1 335.536 3.047 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001485085480 1395656463 /nfs/dbraw/zinc/65/64/63/1395656463.db2.gz TYZVSUNUXGGVKD-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001485242200 1395735916 /nfs/dbraw/zinc/73/59/16/1395735916.db2.gz WQZKSFHYOXOHPE-UHFFFAOYSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001496349939 1396660155 /nfs/dbraw/zinc/66/01/55/1396660155.db2.gz GKXPIWAJJHXWIT-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318855 1404476553 /nfs/dbraw/zinc/47/65/53/1404476553.db2.gz YXBXHZJNUXUHMS-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691637113 1405373011 /nfs/dbraw/zinc/37/30/11/1405373011.db2.gz SNGIEMGYKVEKKO-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001691650092 1405383297 /nfs/dbraw/zinc/38/32/97/1405383297.db2.gz WMEMQFDEGFQQAA-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691650092 1405383301 /nfs/dbraw/zinc/38/33/01/1405383301.db2.gz WMEMQFDEGFQQAA-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001691650092 1405383304 /nfs/dbraw/zinc/38/33/04/1405383304.db2.gz WMEMQFDEGFQQAA-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691920261 1405649427 /nfs/dbraw/zinc/64/94/27/1405649427.db2.gz USYLCMQMPBNUDO-HOJAQTOUSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276094 1405909924 /nfs/dbraw/zinc/90/99/24/1405909924.db2.gz VIWFFOPVCGBTDD-KRWDZBQOSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276094 1405909927 /nfs/dbraw/zinc/90/99/27/1405909927.db2.gz VIWFFOPVCGBTDD-KRWDZBQOSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276094 1405909932 /nfs/dbraw/zinc/90/99/32/1405909932.db2.gz VIWFFOPVCGBTDD-KRWDZBQOSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001692339819 1405959327 /nfs/dbraw/zinc/95/93/27/1405959327.db2.gz AJBKVIKMSKEUKN-RBUKOAKNSA-N 2 1 335.536 3.022 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158203 1428401862 /nfs/dbraw/zinc/40/18/62/1428401862.db2.gz BEBFAQSOUJAYKT-ROUUACIJSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699181880 1412557175 /nfs/dbraw/zinc/55/71/75/1412557175.db2.gz QGDOZGUTEFBSRZ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001699487472 1412883596 /nfs/dbraw/zinc/88/35/96/1412883596.db2.gz SZLFMBOVJZQDPF-ZWKOTPCHSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001700178176 1413588475 /nfs/dbraw/zinc/58/84/75/1413588475.db2.gz HDPIVZGWKCCPPQ-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001700178176 1413588476 /nfs/dbraw/zinc/58/84/76/1413588476.db2.gz HDPIVZGWKCCPPQ-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001700178176 1413588479 /nfs/dbraw/zinc/58/84/79/1413588479.db2.gz HDPIVZGWKCCPPQ-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199321 1413642207 /nfs/dbraw/zinc/64/22/07/1413642207.db2.gz VGOUFHLDQQGADR-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700200332 1413642964 /nfs/dbraw/zinc/64/29/64/1413642964.db2.gz GBBKOTFYTJDZPH-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001700200332 1413642966 /nfs/dbraw/zinc/64/29/66/1413642966.db2.gz GBBKOTFYTJDZPH-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001700200332 1413642967 /nfs/dbraw/zinc/64/29/67/1413642967.db2.gz GBBKOTFYTJDZPH-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001700293989 1413752122 /nfs/dbraw/zinc/75/21/22/1413752122.db2.gz MGHZQTQJWKKDHW-GOSISDBHSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001700530925 1414197082 /nfs/dbraw/zinc/19/70/82/1414197082.db2.gz IJNSHAYNOFKIBM-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001700621213 1414290957 /nfs/dbraw/zinc/29/09/57/1414290957.db2.gz NJZRKHWNWFRVSQ-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001700697991 1414357050 /nfs/dbraw/zinc/35/70/50/1414357050.db2.gz ONJCKUHXBTZKKU-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001700697991 1414357055 /nfs/dbraw/zinc/35/70/55/1414357055.db2.gz ONJCKUHXBTZKKU-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001700697991 1414357059 /nfs/dbraw/zinc/35/70/59/1414357059.db2.gz ONJCKUHXBTZKKU-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001700985341 1414627442 /nfs/dbraw/zinc/62/74/42/1414627442.db2.gz MOCDNAKOGCWTLM-HZPDHXFCSA-N 2 1 334.508 3.093 10 30 EGEEMP 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ISTNHGYHPCYNLV-ROUUACIJSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001714845099 1419557485 /nfs/dbraw/zinc/55/74/85/1419557485.db2.gz ISTNHGYHPCYNLV-ROUUACIJSA-N 2 1 349.906 3.060 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001714915903 1419667095 /nfs/dbraw/zinc/66/70/95/1419667095.db2.gz XSVSVXDGGULRKC-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001714915903 1419667096 /nfs/dbraw/zinc/66/70/96/1419667096.db2.gz XSVSVXDGGULRKC-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001714915903 1419667100 /nfs/dbraw/zinc/66/71/00/1419667100.db2.gz XSVSVXDGGULRKC-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001715314943 1420023953 /nfs/dbraw/zinc/02/39/53/1420023953.db2.gz JQJDEATVQSNUEF-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP 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1420869298 /nfs/dbraw/zinc/86/92/98/1420869298.db2.gz IUFCNUVRCXRVEY-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001716714383 1420869301 /nfs/dbraw/zinc/86/93/01/1420869301.db2.gz IUFCNUVRCXRVEY-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001716997933 1421066827 /nfs/dbraw/zinc/06/68/27/1421066827.db2.gz BNXTWZMMOWGEMZ-LJDSDSDDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001716997933 1421066829 /nfs/dbraw/zinc/06/68/29/1421066829.db2.gz BNXTWZMMOWGEMZ-LJDSDSDDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001716997933 1421066832 /nfs/dbraw/zinc/06/68/32/1421066832.db2.gz BNXTWZMMOWGEMZ-LJDSDSDDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717037403 1421091450 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GEECCQNRVGEYKQ-TZIWHRDSSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836082 1421649349 /nfs/dbraw/zinc/64/93/49/1421649349.db2.gz GEECCQNRVGEYKQ-TZIWHRDSSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836082 1421649351 /nfs/dbraw/zinc/64/93/51/1421649351.db2.gz GEECCQNRVGEYKQ-TZIWHRDSSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001718022838 1421777828 /nfs/dbraw/zinc/77/78/28/1421777828.db2.gz KIKKVBODWDAELI-QUCCMNQESA-N 2 1 347.547 3.210 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001718022838 1421777831 /nfs/dbraw/zinc/77/78/31/1421777831.db2.gz KIKKVBODWDAELI-QUCCMNQESA-N 2 1 347.547 3.210 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001718022838 1421777833 /nfs/dbraw/zinc/77/78/33/1421777833.db2.gz KIKKVBODWDAELI-QUCCMNQESA-N 2 1 347.547 3.210 10 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C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561037 1427596343 /nfs/dbraw/zinc/59/63/43/1427596343.db2.gz DESLTYJWHFGSPV-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760353 1429974148 /nfs/dbraw/zinc/97/41/48/1429974148.db2.gz KGIYZJFIUPXVMX-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001733877989 1437704979 /nfs/dbraw/zinc/70/49/79/1437704979.db2.gz GJHFBOYUDBJWJO-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877989 1437704980 /nfs/dbraw/zinc/70/49/80/1437704980.db2.gz GJHFBOYUDBJWJO-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877989 1437704982 /nfs/dbraw/zinc/70/49/82/1437704982.db2.gz GJHFBOYUDBJWJO-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001734152949 1437920387 /nfs/dbraw/zinc/92/03/87/1437920387.db2.gz MXYHQGRQESCTSY-IBGZPJMESA-N 2 1 343.515 3.155 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155204 1437921939 /nfs/dbraw/zinc/92/19/39/1437921939.db2.gz PYZXGTPFWCEOLI-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155204 1437921940 /nfs/dbraw/zinc/92/19/40/1437921940.db2.gz PYZXGTPFWCEOLI-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001734578781 1438171333 /nfs/dbraw/zinc/17/13/33/1438171333.db2.gz JSMRTBSPKXCZIE-LMMKCTJWSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001734584770 1438175396 /nfs/dbraw/zinc/17/53/96/1438175396.db2.gz NMJGLTCTLPZZAY-NLWGTHIKSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734635738 1438196295 /nfs/dbraw/zinc/19/62/95/1438196295.db2.gz RFOVVBRUWGUZRA-FQEVSTJZSA-N 2 1 341.499 3.004 10 30 EGEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734635738 1438196297 /nfs/dbraw/zinc/19/62/97/1438196297.db2.gz RFOVVBRUWGUZRA-FQEVSTJZSA-N 2 1 341.499 3.004 10 30 EGEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734635738 1438196298 /nfs/dbraw/zinc/19/62/98/1438196298.db2.gz RFOVVBRUWGUZRA-FQEVSTJZSA-N 2 1 341.499 3.004 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000183683273 455320639 /nfs/dbraw/zinc/32/06/39/455320639.db2.gz QISGDPVCYZDUHF-YCRPNKLZSA-N 2 1 346.434 3.437 10 30 EGEEMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000245805907 455382076 /nfs/dbraw/zinc/38/20/76/455382076.db2.gz YOJMRSUSTLMMKD-WMZOPIPTSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245805907 455382082 /nfs/dbraw/zinc/38/20/82/455382082.db2.gz YOJMRSUSTLMMKD-WMZOPIPTSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245805907 455382085 /nfs/dbraw/zinc/38/20/85/455382085.db2.gz YOJMRSUSTLMMKD-WMZOPIPTSA-N 2 1 332.488 3.422 10 30 EGEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135197835 454646396 /nfs/dbraw/zinc/64/63/96/454646396.db2.gz RAEKKWDCYMEPFX-KRWDZBQOSA-N 2 1 343.515 3.012 10 30 EGEEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639363 454725068 /nfs/dbraw/zinc/72/50/68/454725068.db2.gz MJANFFNIKKWQMP-YLJYHZDGSA-N 2 1 328.504 3.199 10 30 EGEEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639363 454725071 /nfs/dbraw/zinc/72/50/71/454725071.db2.gz MJANFFNIKKWQMP-YLJYHZDGSA-N 2 1 328.504 3.199 10 30 EGEEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639363 454725078 /nfs/dbraw/zinc/72/50/78/454725078.db2.gz MJANFFNIKKWQMP-YLJYHZDGSA-N 2 1 328.504 3.199 10 30 EGEEMP CN(CCC#N)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174598096 455406376 /nfs/dbraw/zinc/40/63/76/455406376.db2.gz LUUXPJPSDNQULS-CTXDPNEZSA-N 2 1 326.488 3.141 10 30 EGEEMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000352854624 456365566 /nfs/dbraw/zinc/36/55/66/456365566.db2.gz QWYOJIOSHQREBI-ZDUSSCGKSA-N 2 1 325.378 3.399 10 30 EGEEMP C[NH+](CC#CC[N@@H+](C)CCc1cccs1)CCc1cccs1 ZINC000570339381 459554756 /nfs/dbraw/zinc/55/47/56/459554756.db2.gz ZUXTZTRZDXTKJX-UHFFFAOYSA-N 2 1 332.538 3.462 10 30 EGEEMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000593644996 459939375 /nfs/dbraw/zinc/93/93/75/459939375.db2.gz GXTCAXVQSASXOR-UHFFFAOYSA-N 2 1 339.487 3.026 10 30 EGEEMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000593644996 459939387 /nfs/dbraw/zinc/93/93/87/459939387.db2.gz GXTCAXVQSASXOR-UHFFFAOYSA-N 2 1 339.487 3.026 10 30 EGEEMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940332 /nfs/dbraw/zinc/94/03/32/459940332.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 2 1 342.531 3.090 10 30 EGEEMP CC(C)C[N@H+](C)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940335 /nfs/dbraw/zinc/94/03/35/459940335.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 2 1 342.531 3.090 10 30 EGEEMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940343 /nfs/dbraw/zinc/94/03/43/459940343.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 2 1 342.531 3.090 10 30 EGEEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176094 460040059 /nfs/dbraw/zinc/04/00/59/460040059.db2.gz BDTMHCMPMONXTH-HSALFYBXSA-N 2 1 341.499 3.171 10 30 EGEEMP C=CC[NH+]1CCC(NCc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598960316 460103898 /nfs/dbraw/zinc/10/38/98/460103898.db2.gz LXIJTRMSAMJXRJ-UHFFFAOYSA-N 2 1 336.501 3.443 10 30 EGEEMP C=CCCC(C)(C)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000633967065 461362752 /nfs/dbraw/zinc/36/27/52/461362752.db2.gz XRWLSGGKLMSFCP-UHFFFAOYSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719624 1298936570 /nfs/dbraw/zinc/93/65/70/1298936570.db2.gz QAARKDXSFDYKDL-PBHICJAKSA-N 2 1 335.879 3.469 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876720049 1298939635 /nfs/dbraw/zinc/93/96/35/1298939635.db2.gz ZQRALMYVAOILCC-KSSFIOAISA-N 2 1 349.906 3.005 10 30 EGEEMP C=CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1CCCO1 ZINC000883195796 1302299744 /nfs/dbraw/zinc/29/97/44/1302299744.db2.gz CNACTYJVZPLBBS-OALUTQOASA-N 2 1 344.503 3.166 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000922240024 1322485716 /nfs/dbraw/zinc/48/57/16/1322485716.db2.gz LYVDHCGGXSFIFZ-NRFANRHFSA-N 2 1 349.478 3.032 10 30 EGEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000865847393 1329744959 /nfs/dbraw/zinc/74/49/59/1329744959.db2.gz DBKKOBJYUDNOHX-QFIPXVFZSA-N 2 1 331.463 3.280 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737024 1331173549 /nfs/dbraw/zinc/17/35/49/1331173549.db2.gz MCFNMGMKCDQPMT-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737024 1331173552 /nfs/dbraw/zinc/17/35/52/1331173552.db2.gz MCFNMGMKCDQPMT-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737024 1331173553 /nfs/dbraw/zinc/17/35/53/1331173553.db2.gz MCFNMGMKCDQPMT-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837559 1331213381 /nfs/dbraw/zinc/21/33/81/1331213381.db2.gz VWHLSXSQOIWJJJ-GOSISDBHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001323695152 1387423327 /nfs/dbraw/zinc/42/33/27/1387423327.db2.gz CZQPXZBVNLBVSG-ZCNNSNEGSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661887 1387722229 /nfs/dbraw/zinc/72/22/29/1387722229.db2.gz QNGDAJPXRIMDGB-FXAWDEMLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001326459023 1388198408 /nfs/dbraw/zinc/19/84/08/1388198408.db2.gz VNRUERZIZQHTBD-UHFFFAOYSA-N 2 1 343.515 3.043 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001327299856 1388490737 /nfs/dbraw/zinc/49/07/37/1388490737.db2.gz PSXFFDZFKMKWDG-OALUTQOASA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001275724727 1378153697 /nfs/dbraw/zinc/15/36/97/1378153697.db2.gz ANNKOFCUTYJKDD-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304995 1378414493 /nfs/dbraw/zinc/41/44/93/1378414493.db2.gz OVTCQHVKCRMPJP-CALCHBBNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304995 1378414499 /nfs/dbraw/zinc/41/44/99/1378414499.db2.gz OVTCQHVKCRMPJP-CALCHBBNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304995 1378414500 /nfs/dbraw/zinc/41/45/00/1378414500.db2.gz OVTCQHVKCRMPJP-CALCHBBNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001283435173 1378927046 /nfs/dbraw/zinc/92/70/46/1378927046.db2.gz VJSBTOFXYWBNDL-RLLQIKCJSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058360 1379410401 /nfs/dbraw/zinc/41/04/01/1379410401.db2.gz QJGSWDYCGIHRFO-XCJLJZCSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058360 1379410404 /nfs/dbraw/zinc/41/04/04/1379410404.db2.gz QJGSWDYCGIHRFO-XCJLJZCSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058360 1379410407 /nfs/dbraw/zinc/41/04/07/1379410407.db2.gz QJGSWDYCGIHRFO-XCJLJZCSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001328469011 1388756423 /nfs/dbraw/zinc/75/64/23/1388756423.db2.gz NVADWCFKVVCTPP-VQTJNVASSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001328469011 1388756426 /nfs/dbraw/zinc/75/64/26/1388756426.db2.gz NVADWCFKVVCTPP-VQTJNVASSA-N 2 1 343.515 3.008 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001308421396 1384125148 /nfs/dbraw/zinc/12/51/48/1384125148.db2.gz VYPAFIQPSHDVKU-UHFFFAOYSA-N 2 1 337.305 3.271 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001308421396 1384125150 /nfs/dbraw/zinc/12/51/50/1384125150.db2.gz VYPAFIQPSHDVKU-UHFFFAOYSA-N 2 1 337.305 3.271 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001316784538 1384581186 /nfs/dbraw/zinc/58/11/86/1384581186.db2.gz ADJYMTRFEKZVHR-MSOLQXFVSA-N 2 1 335.536 3.164 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811695 1384609412 /nfs/dbraw/zinc/60/94/12/1384609412.db2.gz OBBBDHTZUVINPZ-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811695 1384609413 /nfs/dbraw/zinc/60/94/13/1384609413.db2.gz OBBBDHTZUVINPZ-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317044276 1384818505 /nfs/dbraw/zinc/81/85/05/1384818505.db2.gz QCVFEWGZZALPSZ-SFHVURJKSA-N 2 1 346.519 3.143 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317044276 1384818508 /nfs/dbraw/zinc/81/85/08/1384818508.db2.gz QCVFEWGZZALPSZ-SFHVURJKSA-N 2 1 346.519 3.143 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001317195962 1384970299 /nfs/dbraw/zinc/97/02/99/1384970299.db2.gz OELTVCZZLICWPJ-OALUTQOASA-N 2 1 337.552 3.412 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317801544 1385495224 /nfs/dbraw/zinc/49/52/24/1385495224.db2.gz CZAKCJWVNWVYLQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317801544 1385495227 /nfs/dbraw/zinc/49/52/27/1385495227.db2.gz CZAKCJWVNWVYLQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317801544 1385495230 /nfs/dbraw/zinc/49/52/30/1385495230.db2.gz CZAKCJWVNWVYLQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001318403294 1385674207 /nfs/dbraw/zinc/67/42/07/1385674207.db2.gz QTSURDGKTGEJRW-RBUKOAKNSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001318403294 1385674210 /nfs/dbraw/zinc/67/42/10/1385674210.db2.gz QTSURDGKTGEJRW-RBUKOAKNSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001318403294 1385674212 /nfs/dbraw/zinc/67/42/12/1385674212.db2.gz QTSURDGKTGEJRW-RBUKOAKNSA-N 2 1 337.552 3.362 10 30 EGEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001319764502 1386286135 /nfs/dbraw/zinc/28/61/35/1386286135.db2.gz ZBGHEUBKHJGPFF-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CS[C@@H]1CC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742956 1386972569 /nfs/dbraw/zinc/97/25/69/1386972569.db2.gz JOWZFHOHZPYGBO-XMTFNYHQSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@@H]([N@@H+](C)CC#CC[NH+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742956 1386972571 /nfs/dbraw/zinc/97/25/71/1386972571.db2.gz JOWZFHOHZPYGBO-XMTFNYHQSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@@H]([N@H+](C)CC#CC[NH+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742956 1386972574 /nfs/dbraw/zinc/97/25/74/1386972574.db2.gz JOWZFHOHZPYGBO-XMTFNYHQSA-N 2 1 340.602 3.422 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479959479 1392495522 /nfs/dbraw/zinc/49/55/22/1392495522.db2.gz UGGIEYQLYZSTIS-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480096208 1392582411 /nfs/dbraw/zinc/58/24/11/1392582411.db2.gz OOJZVZRYELVNJZ-HSALFYBXSA-N 2 1 345.531 3.035 10 30 EGEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480096208 1392582413 /nfs/dbraw/zinc/58/24/13/1392582413.db2.gz OOJZVZRYELVNJZ-HSALFYBXSA-N 2 1 345.531 3.035 10 30 EGEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480096208 1392582416 /nfs/dbraw/zinc/58/24/16/1392582416.db2.gz OOJZVZRYELVNJZ-HSALFYBXSA-N 2 1 345.531 3.035 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001480331641 1392690107 /nfs/dbraw/zinc/69/01/07/1392690107.db2.gz HWCFMDXSFHUVOP-CTNGQTDRSA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001480331641 1392690109 /nfs/dbraw/zinc/69/01/09/1392690109.db2.gz HWCFMDXSFHUVOP-CTNGQTDRSA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001480331641 1392690112 /nfs/dbraw/zinc/69/01/12/1392690112.db2.gz HWCFMDXSFHUVOP-CTNGQTDRSA-N 2 1 347.547 3.189 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001698871611 1406590962 /nfs/dbraw/zinc/59/09/62/1406590962.db2.gz OZPMRYDCOQNMET-ICSRJNTNSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001490378330 1394206760 /nfs/dbraw/zinc/20/67/60/1394206760.db2.gz YACZRNFHLCQCQW-UHFFFAOYSA-N 2 1 340.471 3.193 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461396 1394317378 /nfs/dbraw/zinc/31/73/78/1394317378.db2.gz BXDGFBQWGRWDBR-UXHICEINSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110408 1394431347 /nfs/dbraw/zinc/43/13/47/1394431347.db2.gz HFURUDKFUXPJKO-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481770382 1394513820 /nfs/dbraw/zinc/51/38/20/1394513820.db2.gz DGLMCDAQYRYBSJ-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481770382 1394513823 /nfs/dbraw/zinc/51/38/23/1394513823.db2.gz DGLMCDAQYRYBSJ-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481770382 1394513826 /nfs/dbraw/zinc/51/38/26/1394513826.db2.gz DGLMCDAQYRYBSJ-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484106415 1395254790 /nfs/dbraw/zinc/25/47/90/1395254790.db2.gz FLUGNJGCLPLGFQ-ZJOUEHCJSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484139033 1395275256 /nfs/dbraw/zinc/27/52/56/1395275256.db2.gz XBVPWXADHOJDMT-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001484391803 1395362149 /nfs/dbraw/zinc/36/21/49/1395362149.db2.gz WMQTWHAXYNVVIV-ACDBMABISA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001484723396 1395487958 /nfs/dbraw/zinc/48/79/58/1395487958.db2.gz GRTYIYSCZSOLFZ-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001485779149 1396149186 /nfs/dbraw/zinc/14/91/86/1396149186.db2.gz VWTDVXRNZXXTRT-ZWKOTPCHSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001689145625 1396946178 /nfs/dbraw/zinc/94/61/78/1396946178.db2.gz BVQOWIGNLYAMLA-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001689145625 1396946181 /nfs/dbraw/zinc/94/61/81/1396946181.db2.gz BVQOWIGNLYAMLA-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001689145625 1396946185 /nfs/dbraw/zinc/94/61/85/1396946185.db2.gz BVQOWIGNLYAMLA-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001689198221 1396969641 /nfs/dbraw/zinc/96/96/41/1396969641.db2.gz UMQWEATTWLJUQA-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001689198221 1396969643 /nfs/dbraw/zinc/96/96/43/1396969643.db2.gz UMQWEATTWLJUQA-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001689365449 1403704928 /nfs/dbraw/zinc/70/49/28/1403704928.db2.gz GOLPQIKUYRURSP-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001689365449 1403704930 /nfs/dbraw/zinc/70/49/30/1403704930.db2.gz GOLPQIKUYRURSP-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001689365692 1403706282 /nfs/dbraw/zinc/70/62/82/1403706282.db2.gz LAQROXLEAWWKNG-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001689365692 1403706285 /nfs/dbraw/zinc/70/62/85/1403706285.db2.gz LAQROXLEAWWKNG-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001689365692 1403706291 /nfs/dbraw/zinc/70/62/91/1403706291.db2.gz LAQROXLEAWWKNG-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001690195467 1404402632 /nfs/dbraw/zinc/40/26/32/1404402632.db2.gz WHXQPBWWIXITGA-GOSISDBHSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001690195467 1404402637 /nfs/dbraw/zinc/40/26/37/1404402637.db2.gz WHXQPBWWIXITGA-GOSISDBHSA-N 2 1 346.519 3.143 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690386000 1404519279 /nfs/dbraw/zinc/51/92/79/1404519279.db2.gz TWLZYOHDJBWARE-IBGZPJMESA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690418296 1404548447 /nfs/dbraw/zinc/54/84/47/1404548447.db2.gz ODCGFNPOHVIWDF-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690501719 1404614647 /nfs/dbraw/zinc/61/46/47/1404614647.db2.gz OOKIPCUSRAGVSZ-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501719 1404614650 /nfs/dbraw/zinc/61/46/50/1404614650.db2.gz OOKIPCUSRAGVSZ-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501719 1404614651 /nfs/dbraw/zinc/61/46/51/1404614651.db2.gz OOKIPCUSRAGVSZ-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001690910789 1404821010 /nfs/dbraw/zinc/82/10/10/1404821010.db2.gz UPKIPJWNKSLWBA-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691798579 1405510446 /nfs/dbraw/zinc/51/04/46/1405510446.db2.gz GORAFPAKKUOBEB-IBGZPJMESA-N 2 1 349.563 3.366 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001691886165 1405608903 /nfs/dbraw/zinc/60/89/03/1405608903.db2.gz CDYULNZGJJJNDA-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961587 1405680379 /nfs/dbraw/zinc/68/03/79/1405680379.db2.gz NJYOVBBORLSGCI-CEXWTWQISA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691961587 1405680382 /nfs/dbraw/zinc/68/03/82/1405680382.db2.gz NJYOVBBORLSGCI-CEXWTWQISA-N 2 1 337.552 3.077 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691961587 1405680387 /nfs/dbraw/zinc/68/03/87/1405680387.db2.gz NJYOVBBORLSGCI-CEXWTWQISA-N 2 1 337.552 3.077 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001731751858 1427848485 /nfs/dbraw/zinc/84/84/85/1427848485.db2.gz ZURRBAMOSPBSBE-KRWDZBQOSA-N 2 1 349.544 3.360 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001698573711 1406180274 /nfs/dbraw/zinc/18/02/74/1406180274.db2.gz BVQMYRFTJWOTAK-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001698573711 1406180275 /nfs/dbraw/zinc/18/02/75/1406180275.db2.gz BVQMYRFTJWOTAK-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001698573711 1406180278 /nfs/dbraw/zinc/18/02/78/1406180278.db2.gz BVQMYRFTJWOTAK-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001732020425 1428237889 /nfs/dbraw/zinc/23/78/89/1428237889.db2.gz TUXXMNCOOOKKEW-ROUUACIJSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732020425 1428237891 /nfs/dbraw/zinc/23/78/91/1428237891.db2.gz TUXXMNCOOOKKEW-ROUUACIJSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001732394974 1428562761 /nfs/dbraw/zinc/56/27/61/1428562761.db2.gz VBRNKMHECVIOGM-LJQANCHMSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001699695540 1413104342 /nfs/dbraw/zinc/10/43/42/1413104342.db2.gz ZTLMTAUJEDSTOW-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199317 1413641936 /nfs/dbraw/zinc/64/19/36/1413641936.db2.gz VGOUFHLDQQGADR-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001700321389 1413787607 /nfs/dbraw/zinc/78/76/07/1413787607.db2.gz ZXLPXPZFVVGJAR-PKOBYXMFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700620848 1414289471 /nfs/dbraw/zinc/28/94/71/1414289471.db2.gz AJIDUGWNLGMSAM-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001700985337 1414627172 /nfs/dbraw/zinc/62/71/72/1414627172.db2.gz MOCDNAKOGCWTLM-CVEARBPZSA-N 2 1 334.508 3.093 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713751014 1418551999 /nfs/dbraw/zinc/55/19/99/1418551999.db2.gz LKYAQJWEMWOICP-KRWDZBQOSA-N 2 1 340.471 3.003 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001714043888 1418835417 /nfs/dbraw/zinc/83/54/17/1418835417.db2.gz DJPSOKHMEODMMD-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043888 1418835419 /nfs/dbraw/zinc/83/54/19/1418835419.db2.gz DJPSOKHMEODMMD-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043888 1418835420 /nfs/dbraw/zinc/83/54/20/1418835420.db2.gz DJPSOKHMEODMMD-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001714323477 1419101877 /nfs/dbraw/zinc/10/18/77/1419101877.db2.gz JAYNRZXDEMSEJN-HXUWFJFHSA-N 2 1 343.515 3.233 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714627204 1419398302 /nfs/dbraw/zinc/39/83/02/1419398302.db2.gz YYLCUMIOVVJNNY-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714979356 1419714423 /nfs/dbraw/zinc/71/44/23/1419714423.db2.gz RNWGAFYCXUOLMY-RBUKOAKNSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035678 1421089022 /nfs/dbraw/zinc/08/90/22/1421089022.db2.gz MZQUKHCBILPOIT-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001717978815 1421749577 /nfs/dbraw/zinc/74/95/77/1421749577.db2.gz KAZYWQNLMZTHJF-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001733377962 1429561652 /nfs/dbraw/zinc/56/16/52/1429561652.db2.gz ABCFPHQXGBEOCI-VQTJNVASSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402104 1429597210 /nfs/dbraw/zinc/59/72/10/1429597210.db2.gz HMRMIFYDQINFIO-RXVVDRJESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733402104 1429597211 /nfs/dbraw/zinc/59/72/11/1429597211.db2.gz HMRMIFYDQINFIO-RXVVDRJESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733402104 1429597217 /nfs/dbraw/zinc/59/72/17/1429597217.db2.gz HMRMIFYDQINFIO-RXVVDRJESA-N 2 1 347.547 3.188 10 30 EGEEMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001723617835 1424495548 /nfs/dbraw/zinc/49/55/48/1424495548.db2.gz OCVQFFZDIDMWSJ-IHWFROFDSA-N 2 1 347.547 3.024 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733538560 1429744670 /nfs/dbraw/zinc/74/46/70/1429744670.db2.gz UWPXDEWFNMQKNV-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724341111 1424833938 /nfs/dbraw/zinc/83/39/38/1424833938.db2.gz QOLQHVKDBIFVNW-TZIWHRDSSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341111 1424833943 /nfs/dbraw/zinc/83/39/43/1424833943.db2.gz QOLQHVKDBIFVNW-TZIWHRDSSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341111 1424833945 /nfs/dbraw/zinc/83/39/45/1424833945.db2.gz QOLQHVKDBIFVNW-TZIWHRDSSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724754996 1425125607 /nfs/dbraw/zinc/12/56/07/1425125607.db2.gz VBMMWLWCNVTYSS-FHWLQOOXSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001724870346 1425253721 /nfs/dbraw/zinc/25/37/21/1425253721.db2.gz YIRFWAHQWRTEFS-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870346 1425253728 /nfs/dbraw/zinc/25/37/28/1425253728.db2.gz YIRFWAHQWRTEFS-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870346 1425253730 /nfs/dbraw/zinc/25/37/30/1425253730.db2.gz YIRFWAHQWRTEFS-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001724957303 1425344988 /nfs/dbraw/zinc/34/49/88/1425344988.db2.gz QVZYGGZGLOXOGH-SFHVURJKSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725423844 1426078247 /nfs/dbraw/zinc/07/82/47/1426078247.db2.gz BNSSSEVALYXHKY-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731503319 1427485635 /nfs/dbraw/zinc/48/56/35/1427485635.db2.gz LKCSUCMRBJMVRG-ICSRJNTNSA-N 2 1 349.563 3.127 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553835 1427577977 /nfs/dbraw/zinc/57/79/77/1427577977.db2.gz YYKPMHNIBAOZCL-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001731571324 1427612131 /nfs/dbraw/zinc/61/21/31/1427612131.db2.gz DOWWVPJXVSGIAT-ACBHZAAOSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146202 1437914583 /nfs/dbraw/zinc/91/45/83/1437914583.db2.gz OZXOYWFKBZFOKI-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146202 1437914587 /nfs/dbraw/zinc/91/45/87/1437914587.db2.gz OZXOYWFKBZFOKI-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146202 1437914588 /nfs/dbraw/zinc/91/45/88/1437914588.db2.gz OZXOYWFKBZFOKI-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]21 ZINC001734441124 1438103348 /nfs/dbraw/zinc/10/33/48/1438103348.db2.gz BVKRBTWQXAVVRU-MISYRCLQSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734603613 1438184512 /nfs/dbraw/zinc/18/45/12/1438184512.db2.gz IDUPCIVNUXMYLT-GOSISDBHSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943772 1440117199 /nfs/dbraw/zinc/11/71/99/1440117199.db2.gz AGQUHXVVKMKYNW-MSOLQXFVSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943772 1440117200 /nfs/dbraw/zinc/11/72/00/1440117200.db2.gz AGQUHXVVKMKYNW-MSOLQXFVSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943772 1440117201 /nfs/dbraw/zinc/11/72/01/1440117201.db2.gz AGQUHXVVKMKYNW-MSOLQXFVSA-N 2 1 337.552 3.288 10 30 EGEEMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000268540972 252007009 /nfs/dbraw/zinc/00/70/09/252007009.db2.gz LAYZRKACFUWYJW-SFHVURJKSA-N 2 1 327.472 3.276 10 30 EGEEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000268540972 252007012 /nfs/dbraw/zinc/00/70/12/252007012.db2.gz LAYZRKACFUWYJW-SFHVURJKSA-N 2 1 327.472 3.276 10 30 EGEEMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000072948681 454369222 /nfs/dbraw/zinc/36/92/22/454369222.db2.gz XGIYPEPYJYQQNK-UHFFFAOYSA-N 2 1 335.451 3.191 10 30 EGEEMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638959 454725225 /nfs/dbraw/zinc/72/52/25/454725225.db2.gz OTQAYSUJKBYDCJ-CRAIPNDOSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638959 454725232 /nfs/dbraw/zinc/72/52/32/454725232.db2.gz OTQAYSUJKBYDCJ-CRAIPNDOSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638959 454725237 /nfs/dbraw/zinc/72/52/37/454725237.db2.gz OTQAYSUJKBYDCJ-CRAIPNDOSA-N 2 1 332.488 3.291 10 30 EGEEMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594935274 459182329 /nfs/dbraw/zinc/18/23/29/459182329.db2.gz FKENEDUGLSXWHX-UHFFFAOYSA-N 2 1 341.499 3.221 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528403091 459805863 /nfs/dbraw/zinc/80/58/63/459805863.db2.gz IGEKVPPPDWXWGD-IEBWSBKVSA-N 2 1 333.520 3.018 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598603098 459960324 /nfs/dbraw/zinc/96/03/24/459960324.db2.gz SAKYLAOEGYQETG-KSSFIOAISA-N 2 1 326.444 3.132 10 30 EGEEMP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722576 461914619 /nfs/dbraw/zinc/91/46/19/461914619.db2.gz WTBTVOLLMJMDBK-RLLQIKCJSA-N 2 1 330.472 3.112 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000651721476 462314733 /nfs/dbraw/zinc/31/47/33/462314733.db2.gz FOINKOTVEWPSDD-PBASOCQRSA-N 2 1 328.500 3.204 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000651721476 462314737 /nfs/dbraw/zinc/31/47/37/462314737.db2.gz FOINKOTVEWPSDD-PBASOCQRSA-N 2 1 328.500 3.204 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872176940 1296799837 /nfs/dbraw/zinc/79/98/37/1296799837.db2.gz WNEOLNQIKHMPIR-HNNXBMFYSA-N 2 1 332.835 3.475 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000876719246 1298935272 /nfs/dbraw/zinc/93/52/72/1298935272.db2.gz GQLYSZCHHHGCAF-KDOFPFPSSA-N 2 1 349.906 3.005 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000876728548 1298942013 /nfs/dbraw/zinc/94/20/13/1298942013.db2.gz PFRYDQYQZXJYQJ-INIZCTEOSA-N 2 1 346.862 3.463 10 30 EGEEMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1Cc2ccccc2O1 ZINC000883189976 1302296126 /nfs/dbraw/zinc/29/61/26/1302296126.db2.gz SGASWDVMLKFPBK-UYAOXDASSA-N 2 1 344.499 3.025 10 30 EGEEMP C#C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332893 1309285746 /nfs/dbraw/zinc/28/57/46/1309285746.db2.gz QVXGYHDNGNWCKU-FKVLARQCSA-N 2 1 338.495 3.058 10 30 EGEEMP C[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809308 1328706827 /nfs/dbraw/zinc/70/68/27/1328706827.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 1 334.467 3.438 10 30 EGEEMP CSc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1C#N ZINC000925775033 1325294484 /nfs/dbraw/zinc/29/44/84/1325294484.db2.gz YYIUNDVIBMYQKX-KDOFPFPSSA-N 2 1 325.481 3.328 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801297 1331199297 /nfs/dbraw/zinc/19/92/97/1331199297.db2.gz RUMNZCNNYNGZIJ-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801297 1331199298 /nfs/dbraw/zinc/19/92/98/1331199298.db2.gz RUMNZCNNYNGZIJ-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801297 1331199301 /nfs/dbraw/zinc/19/93/01/1331199301.db2.gz RUMNZCNNYNGZIJ-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853249 1331221307 /nfs/dbraw/zinc/22/13/07/1331221307.db2.gz PCKYYEXAUFNHNT-GOSISDBHSA-N 2 1 340.471 3.049 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971824 1331281329 /nfs/dbraw/zinc/28/13/29/1331281329.db2.gz DDMSNUFJLKXMOA-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971824 1331281332 /nfs/dbraw/zinc/28/13/32/1331281332.db2.gz DDMSNUFJLKXMOA-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971824 1331281335 /nfs/dbraw/zinc/28/13/35/1331281335.db2.gz DDMSNUFJLKXMOA-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973097 1331281669 /nfs/dbraw/zinc/28/16/69/1331281669.db2.gz RPEZREZYSABICL-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973097 1331281672 /nfs/dbraw/zinc/28/16/72/1331281672.db2.gz RPEZREZYSABICL-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973097 1331281674 /nfs/dbraw/zinc/28/16/74/1331281674.db2.gz RPEZREZYSABICL-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001324763894 1387763969 /nfs/dbraw/zinc/76/39/69/1387763969.db2.gz PXOFDSZPYHAKCP-HXUWFJFHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001324935253 1387831493 /nfs/dbraw/zinc/83/14/93/1387831493.db2.gz BSBIFWKYZHDDCU-LJQANCHMSA-N 2 1 349.544 3.218 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C)cc1 ZINC001192052247 1367675461 /nfs/dbraw/zinc/67/54/61/1367675461.db2.gz DFBWWKJVFBWVBQ-SFHVURJKSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)(C)C)cc1 ZINC001192052247 1367675464 /nfs/dbraw/zinc/67/54/64/1367675464.db2.gz DFBWWKJVFBWVBQ-SFHVURJKSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C)cc1 ZINC001192052247 1367675470 /nfs/dbraw/zinc/67/54/70/1367675470.db2.gz DFBWWKJVFBWVBQ-SFHVURJKSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C)cc1 ZINC001192052247 1367675476 /nfs/dbraw/zinc/67/54/76/1367675476.db2.gz DFBWWKJVFBWVBQ-SFHVURJKSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307738 1388494249 /nfs/dbraw/zinc/49/42/49/1388494249.db2.gz GQVORNVHIBFROL-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001283434004 1378925206 /nfs/dbraw/zinc/92/52/06/1378925206.db2.gz MUQHMRWHRHLFHL-PMACEKPBSA-N 2 1 343.515 3.274 10 30 EGEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001327685518 1388581788 /nfs/dbraw/zinc/58/17/88/1388581788.db2.gz PEMGESZADHZJRD-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001327685518 1388581792 /nfs/dbraw/zinc/58/17/92/1388581792.db2.gz PEMGESZADHZJRD-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001327685518 1388581793 /nfs/dbraw/zinc/58/17/93/1388581793.db2.gz PEMGESZADHZJRD-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001284070927 1379432807 /nfs/dbraw/zinc/43/28/07/1379432807.db2.gz KUSPNLGWCBFOEW-QUCCMNQESA-N 2 1 346.519 3.344 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944225 1384716514 /nfs/dbraw/zinc/71/65/14/1384716514.db2.gz KPTACAPNIZIBCJ-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316944225 1384716519 /nfs/dbraw/zinc/71/65/19/1384716519.db2.gz KPTACAPNIZIBCJ-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316944225 1384716523 /nfs/dbraw/zinc/71/65/23/1384716523.db2.gz KPTACAPNIZIBCJ-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317050027 1384826563 /nfs/dbraw/zinc/82/65/63/1384826563.db2.gz PKLDRAHGZYMDEH-LWYYNNOASA-N 2 1 347.547 3.281 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137556 1384901856 /nfs/dbraw/zinc/90/18/56/1384901856.db2.gz MQIYWDBMQOLYNJ-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137556 1384901858 /nfs/dbraw/zinc/90/18/58/1384901858.db2.gz MQIYWDBMQOLYNJ-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001698627802 1406270209 /nfs/dbraw/zinc/27/02/09/1406270209.db2.gz VYNQXTNCCCRWJA-ZWKOTPCHSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001698661596 1406312029 /nfs/dbraw/zinc/31/20/29/1406312029.db2.gz JVZPIVZRHSWYHB-PXNSSMCTSA-N 2 1 346.519 3.203 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329935843 1389263978 /nfs/dbraw/zinc/26/39/78/1389263978.db2.gz GZSYHNMIFPTMAC-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001330223265 1389348514 /nfs/dbraw/zinc/34/85/14/1389348514.db2.gz RMHOKYQMIHCVJT-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001330223265 1389348522 /nfs/dbraw/zinc/34/85/22/1389348522.db2.gz RMHOKYQMIHCVJT-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332013093 1389946140 /nfs/dbraw/zinc/94/61/40/1389946140.db2.gz HTSTWXVGPLEVNL-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001479647811 1392306554 /nfs/dbraw/zinc/30/65/54/1392306554.db2.gz ZKNHQOQEENYBSZ-VQTJNVASSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479959480 1392495282 /nfs/dbraw/zinc/49/52/82/1392495282.db2.gz UGGIEYQLYZSTIS-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480824166 1392962418 /nfs/dbraw/zinc/96/24/18/1392962418.db2.gz OPDLONGFMAPZNF-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480824166 1392962419 /nfs/dbraw/zinc/96/24/19/1392962419.db2.gz OPDLONGFMAPZNF-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480824166 1392962422 /nfs/dbraw/zinc/96/24/22/1392962422.db2.gz OPDLONGFMAPZNF-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480825951 1392963877 /nfs/dbraw/zinc/96/38/77/1392963877.db2.gz LBUVKRQGPLQTTC-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480825951 1392963880 /nfs/dbraw/zinc/96/38/80/1392963880.db2.gz LBUVKRQGPLQTTC-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480825951 1392963883 /nfs/dbraw/zinc/96/38/83/1392963883.db2.gz LBUVKRQGPLQTTC-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454779 1394232385 /nfs/dbraw/zinc/23/23/85/1394232385.db2.gz LCLINACAEKFPJI-FXAWDEMLSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001481514228 1394362882 /nfs/dbraw/zinc/36/28/82/1394362882.db2.gz STWJEKRQFXMOLZ-QGZVFWFLSA-N 2 1 346.519 3.143 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001481514228 1394362887 /nfs/dbraw/zinc/36/28/87/1394362887.db2.gz STWJEKRQFXMOLZ-QGZVFWFLSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001698952166 1406694001 /nfs/dbraw/zinc/69/40/01/1406694001.db2.gz SFAFPXGNDXYAKH-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001698952166 1406694005 /nfs/dbraw/zinc/69/40/05/1406694005.db2.gz SFAFPXGNDXYAKH-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001698952166 1406694008 /nfs/dbraw/zinc/69/40/08/1406694008.db2.gz SFAFPXGNDXYAKH-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001698955512 1406702813 /nfs/dbraw/zinc/70/28/13/1406702813.db2.gz PFDKENDQQSNBBN-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001698955512 1406702815 /nfs/dbraw/zinc/70/28/15/1406702815.db2.gz PFDKENDQQSNBBN-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001698955512 1406702818 /nfs/dbraw/zinc/70/28/18/1406702818.db2.gz PFDKENDQQSNBBN-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001484022731 1395194672 /nfs/dbraw/zinc/19/46/72/1395194672.db2.gz ODROEJRQHUKHNG-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484022731 1395194673 /nfs/dbraw/zinc/19/46/73/1395194673.db2.gz ODROEJRQHUKHNG-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484022731 1395194676 /nfs/dbraw/zinc/19/46/76/1395194676.db2.gz ODROEJRQHUKHNG-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484164411 1395299151 /nfs/dbraw/zinc/29/91/51/1395299151.db2.gz WSUBLIZLNOQSOP-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001484164411 1395299154 /nfs/dbraw/zinc/29/91/54/1395299154.db2.gz WSUBLIZLNOQSOP-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001484164411 1395299157 /nfs/dbraw/zinc/29/91/57/1395299157.db2.gz WSUBLIZLNOQSOP-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001485436684 1395903968 /nfs/dbraw/zinc/90/39/68/1395903968.db2.gz HRQCZLWMSTXBGI-UXHICEINSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570864 1396035464 /nfs/dbraw/zinc/03/54/64/1396035464.db2.gz UNQXGQSXQSMFQA-OALUTQOASA-N 2 1 349.563 3.125 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001689125526 1396931104 /nfs/dbraw/zinc/93/11/04/1396931104.db2.gz QMMOYGNPLXVHOJ-IYWMVGAKSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690045663 1404279897 /nfs/dbraw/zinc/27/98/97/1404279897.db2.gz WJWLUHJOOMCARY-FHWLQOOXSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001690045663 1404279899 /nfs/dbraw/zinc/27/98/99/1404279899.db2.gz WJWLUHJOOMCARY-FHWLQOOXSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001690045663 1404279901 /nfs/dbraw/zinc/27/99/01/1404279901.db2.gz WJWLUHJOOMCARY-FHWLQOOXSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001690151977 1404351726 /nfs/dbraw/zinc/35/17/26/1404351726.db2.gz WWKQODHMMOWSCS-QUCCMNQESA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690190801 1404392874 /nfs/dbraw/zinc/39/28/74/1404392874.db2.gz FQFGLLTYZYBGSW-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690190801 1404392877 /nfs/dbraw/zinc/39/28/77/1404392877.db2.gz FQFGLLTYZYBGSW-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690190801 1404392885 /nfs/dbraw/zinc/39/28/85/1404392885.db2.gz FQFGLLTYZYBGSW-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690826704 1404764273 /nfs/dbraw/zinc/76/42/73/1404764273.db2.gz MTQXRUPXTZRQCC-IBGZPJMESA-N 2 1 335.536 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086606 1405019863 /nfs/dbraw/zinc/01/98/63/1405019863.db2.gz UPYKIKRDTHMYGT-DOTOQJQBSA-N 2 1 340.471 3.192 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001691823081 1405539049 /nfs/dbraw/zinc/53/90/49/1405539049.db2.gz JCHIEXCQMLZBNV-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001692004784 1405721194 /nfs/dbraw/zinc/72/11/94/1405721194.db2.gz LSDOCCWBXJWWQQ-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001692085673 1405766315 /nfs/dbraw/zinc/76/63/15/1405766315.db2.gz CTNNYWIFQQJPOB-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001692118182 1405780974 /nfs/dbraw/zinc/78/09/74/1405780974.db2.gz JJYYBLWHTLVJJX-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C#CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCCC1 ZINC001699682885 1413077551 /nfs/dbraw/zinc/07/75/51/1413077551.db2.gz BGAHMFUTWTZUKP-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001700016773 1413461953 /nfs/dbraw/zinc/46/19/53/1413461953.db2.gz KXZWPRHKHDCIPZ-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016773 1413461955 /nfs/dbraw/zinc/46/19/55/1413461955.db2.gz KXZWPRHKHDCIPZ-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016773 1413461958 /nfs/dbraw/zinc/46/19/58/1413461958.db2.gz KXZWPRHKHDCIPZ-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700090984 1413502770 /nfs/dbraw/zinc/50/27/70/1413502770.db2.gz JDMNLICCJMRDDV-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700090984 1413502771 /nfs/dbraw/zinc/50/27/71/1413502771.db2.gz JDMNLICCJMRDDV-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700090984 1413502777 /nfs/dbraw/zinc/50/27/77/1413502777.db2.gz JDMNLICCJMRDDV-SFHVURJKSA-N 2 1 343.515 3.043 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204389 1413650761 /nfs/dbraw/zinc/65/07/61/1413650761.db2.gz XFCNWZSQBFFCAQ-PKOBYXMFSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204389 1413650762 /nfs/dbraw/zinc/65/07/62/1413650762.db2.gz XFCNWZSQBFFCAQ-PKOBYXMFSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700352684 1413846740 /nfs/dbraw/zinc/84/67/40/1413846740.db2.gz CZIDJZBKXCFJEB-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001700620788 1414289680 /nfs/dbraw/zinc/28/96/80/1414289680.db2.gz YGXJVXUXOJBPMA-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001700620788 1414289684 /nfs/dbraw/zinc/28/96/84/1414289684.db2.gz YGXJVXUXOJBPMA-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001700620788 1414289686 /nfs/dbraw/zinc/28/96/86/1414289686.db2.gz YGXJVXUXOJBPMA-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001701010080 1414668677 /nfs/dbraw/zinc/66/86/77/1414668677.db2.gz ULZOCODXNOJARG-PKOBYXMFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707240440 1417260605 /nfs/dbraw/zinc/26/06/05/1417260605.db2.gz UCVNNUXXBVWQQE-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001707265898 1417272582 /nfs/dbraw/zinc/27/25/82/1417272582.db2.gz XEEBJFRHRZXLQT-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001707265898 1417272585 /nfs/dbraw/zinc/27/25/85/1417272585.db2.gz XEEBJFRHRZXLQT-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001707265898 1417272588 /nfs/dbraw/zinc/27/25/88/1417272588.db2.gz XEEBJFRHRZXLQT-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001707265898 1417272593 /nfs/dbraw/zinc/27/25/93/1417272593.db2.gz XEEBJFRHRZXLQT-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713134286 1417712722 /nfs/dbraw/zinc/71/27/22/1417712722.db2.gz KXVLCWIHLMJANE-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001713764849 1418577285 /nfs/dbraw/zinc/57/72/85/1418577285.db2.gz RSARHWIFADAZGK-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001713764849 1418577287 /nfs/dbraw/zinc/57/72/87/1418577287.db2.gz RSARHWIFADAZGK-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001713764849 1418577288 /nfs/dbraw/zinc/57/72/88/1418577288.db2.gz RSARHWIFADAZGK-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001714025876 1418811064 /nfs/dbraw/zinc/81/10/64/1418811064.db2.gz UVDRUWKWAWHQQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714025876 1418811067 /nfs/dbraw/zinc/81/10/67/1418811067.db2.gz UVDRUWKWAWHQQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714025876 1418811070 /nfs/dbraw/zinc/81/10/70/1418811070.db2.gz UVDRUWKWAWHQQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714036285 1418825354 /nfs/dbraw/zinc/82/53/54/1418825354.db2.gz RPSGNFPVABCIOW-ROUUACIJSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714036285 1418825357 /nfs/dbraw/zinc/82/53/57/1418825357.db2.gz RPSGNFPVABCIOW-ROUUACIJSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001714130170 1418933660 /nfs/dbraw/zinc/93/36/60/1418933660.db2.gz YYWQETHWBDKWLM-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001714130172 1418933698 /nfs/dbraw/zinc/93/36/98/1418933698.db2.gz YYWQETHWBDKWLM-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153476 1418961120 /nfs/dbraw/zinc/96/11/20/1418961120.db2.gz IAILLMIFXUKORZ-ICSRJNTNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001714330447 1419109706 /nfs/dbraw/zinc/10/97/06/1419109706.db2.gz LPBOGOCNIMSTRB-PMACEKPBSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622131 1419389096 /nfs/dbraw/zinc/38/90/96/1419389096.db2.gz KVPUPXOYCVFBPX-PXNSSMCTSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715449355 1420132516 /nfs/dbraw/zinc/13/25/16/1420132516.db2.gz ROBXVVZKIGSCQL-GOSISDBHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715484296 1420164092 /nfs/dbraw/zinc/16/40/92/1420164092.db2.gz GICLPUVTCAJZMB-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001715545566 1420242738 /nfs/dbraw/zinc/24/27/38/1420242738.db2.gz QAWOCIPPNXHXKG-AZUAARDMSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001715545566 1420242740 /nfs/dbraw/zinc/24/27/40/1420242740.db2.gz QAWOCIPPNXHXKG-AZUAARDMSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001715545566 1420242741 /nfs/dbraw/zinc/24/27/41/1420242741.db2.gz QAWOCIPPNXHXKG-AZUAARDMSA-N 2 1 349.563 3.364 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001716052937 1420517881 /nfs/dbraw/zinc/51/78/81/1420517881.db2.gz HFZHJTBQXPVCTP-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733269787 1429431849 /nfs/dbraw/zinc/43/18/49/1429431849.db2.gz RPKKGIYMWOFBND-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269787 1429431854 /nfs/dbraw/zinc/43/18/54/1429431854.db2.gz RPKKGIYMWOFBND-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269787 1429431857 /nfs/dbraw/zinc/43/18/57/1429431857.db2.gz RPKKGIYMWOFBND-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270142 1429432569 /nfs/dbraw/zinc/43/25/69/1429432569.db2.gz WGIFZBNUZARLQW-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001716894023 1421020419 /nfs/dbraw/zinc/02/04/19/1421020419.db2.gz HUZNXVCVJZXXQG-FQEVSTJZSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001717115258 1421119145 /nfs/dbraw/zinc/11/91/45/1421119145.db2.gz KHLVDWYPNXNKDE-VQIMIIECSA-N 2 1 329.488 3.014 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717536162 1421473823 /nfs/dbraw/zinc/47/38/23/1421473823.db2.gz FJLQNKFYCAGOGP-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717536162 1421473825 /nfs/dbraw/zinc/47/38/25/1421473825.db2.gz FJLQNKFYCAGOGP-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717536162 1421473827 /nfs/dbraw/zinc/47/38/27/1421473827.db2.gz FJLQNKFYCAGOGP-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001717978636 1421749795 /nfs/dbraw/zinc/74/97/95/1421749795.db2.gz CSHNBRNBABYAAY-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402098 1429597462 /nfs/dbraw/zinc/59/74/62/1429597462.db2.gz HMRMIFYDQINFIO-GHTZIAJQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733402098 1429597467 /nfs/dbraw/zinc/59/74/67/1429597467.db2.gz HMRMIFYDQINFIO-GHTZIAJQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733402098 1429597468 /nfs/dbraw/zinc/59/74/68/1429597468.db2.gz HMRMIFYDQINFIO-GHTZIAJQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733424800 1429631783 /nfs/dbraw/zinc/63/17/83/1429631783.db2.gz FYZGUIJYOXXSRJ-WIYYLYMNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001723640320 1424506662 /nfs/dbraw/zinc/50/66/62/1424506662.db2.gz MSCIIYCBBYUQGZ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001723640320 1424506663 /nfs/dbraw/zinc/50/66/63/1424506663.db2.gz MSCIIYCBBYUQGZ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001723640320 1424506672 /nfs/dbraw/zinc/50/66/72/1424506672.db2.gz MSCIIYCBBYUQGZ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001724291487 1424775630 /nfs/dbraw/zinc/77/56/30/1424775630.db2.gz GAFODLIPPBYQGG-UHFFFAOYSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724340203 1424832438 /nfs/dbraw/zinc/83/24/38/1424832438.db2.gz HJFLBBOOGDVHRL-WIYYLYMNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001724602532 1424935244 /nfs/dbraw/zinc/93/52/44/1424935244.db2.gz WGRADVFKPHILNH-FSGKZVOOSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843817 1425193347 /nfs/dbraw/zinc/19/33/47/1425193347.db2.gz LUFBGNVEOGBPBB-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001725420438 1426069665 /nfs/dbraw/zinc/06/96/65/1426069665.db2.gz KRQDLOUKKGYISL-SFHVURJKSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731542147 1427553091 /nfs/dbraw/zinc/55/30/91/1427553091.db2.gz DXRWZPBJHLQIHO-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731542147 1427553098 /nfs/dbraw/zinc/55/30/98/1427553098.db2.gz DXRWZPBJHLQIHO-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731542147 1427553108 /nfs/dbraw/zinc/55/31/08/1427553108.db2.gz DXRWZPBJHLQIHO-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731717808 1427782250 /nfs/dbraw/zinc/78/22/50/1427782250.db2.gz XSSCKJJRGDYWCF-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001733804489 1430073869 /nfs/dbraw/zinc/07/38/69/1430073869.db2.gz CNVFJAKPTPZGAG-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001734274623 1438009195 /nfs/dbraw/zinc/00/91/95/1438009195.db2.gz PJXAJEFQQHHOQE-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001734274623 1438009197 /nfs/dbraw/zinc/00/91/97/1438009197.db2.gz PJXAJEFQQHHOQE-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001734274623 1438009200 /nfs/dbraw/zinc/00/92/00/1438009200.db2.gz PJXAJEFQQHHOQE-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC001734493478 1438131155 /nfs/dbraw/zinc/13/11/55/1438131155.db2.gz BCMMHJLJBRUDQY-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH+]1CC=C(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001734625030 1438190364 /nfs/dbraw/zinc/19/03/64/1438190364.db2.gz JEOXKMJWKSTNJI-UHFFFAOYSA-N 2 1 347.547 3.354 10 30 EGEEMP C=C(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001734625030 1438190365 /nfs/dbraw/zinc/19/03/65/1438190365.db2.gz JEOXKMJWKSTNJI-UHFFFAOYSA-N 2 1 347.547 3.354 10 30 EGEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001734625030 1438190367 /nfs/dbraw/zinc/19/03/67/1438190367.db2.gz JEOXKMJWKSTNJI-UHFFFAOYSA-N 2 1 347.547 3.354 10 30 EGEEMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518542446 267004409 /nfs/dbraw/zinc/00/44/09/267004409.db2.gz WABWSMILPLDPLG-UHFFFAOYSA-N 2 1 344.459 3.410 10 30 EGEEMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000090107484 454280079 /nfs/dbraw/zinc/28/00/79/454280079.db2.gz HSOWVWJGUFTWBR-UHFFFAOYSA-N 2 1 349.478 3.234 10 30 EGEEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000195298616 455942106 /nfs/dbraw/zinc/94/21/06/455942106.db2.gz SWUBGAYGROVISZ-HXUWFJFHSA-N 2 1 337.442 3.026 10 30 EGEEMP CC[N@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000593660911 459942569 /nfs/dbraw/zinc/94/25/69/459942569.db2.gz PZKPYFIYDAGWGH-UHFFFAOYSA-N 2 1 339.487 3.340 10 30 EGEEMP CC[N@@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000593660911 459942574 /nfs/dbraw/zinc/94/25/74/459942574.db2.gz PZKPYFIYDAGWGH-UHFFFAOYSA-N 2 1 339.487 3.340 10 30 EGEEMP N#Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000611194880 460306042 /nfs/dbraw/zinc/30/60/42/460306042.db2.gz DGIQSUATBCTJPF-UHFFFAOYSA-N 2 1 346.478 3.441 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000651758674 462326591 /nfs/dbraw/zinc/32/65/91/462326591.db2.gz JNAMPMMZTCNBEV-QMMLZNLJSA-N 2 1 328.500 3.478 10 30 EGEEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1cccs1 ZINC000252486422 1296461435 /nfs/dbraw/zinc/46/14/35/1296461435.db2.gz JYOLFIDLWONDII-PBHICJAKSA-N 2 1 334.533 3.368 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000876737712 1298950587 /nfs/dbraw/zinc/95/05/87/1298950587.db2.gz WEBHHCUDYIVTQU-NXHRZFHOSA-N 2 1 349.906 3.140 10 30 EGEEMP C=CCC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000883202415 1302301863 /nfs/dbraw/zinc/30/18/63/1302301863.db2.gz AIGJHQARLLCJON-MOPGFXCFSA-N 2 1 336.520 3.125 10 30 EGEEMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000922603651 1322568131 /nfs/dbraw/zinc/56/81/31/1322568131.db2.gz MJMIONLKZLKZGU-UHFFFAOYSA-N 2 1 328.485 3.187 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428096 1322750926 /nfs/dbraw/zinc/75/09/26/1322750926.db2.gz WEJIGJHZDSLZDD-IOMROCGXSA-N 2 1 341.499 3.211 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801662 1331199864 /nfs/dbraw/zinc/19/98/64/1331199864.db2.gz WEXGOEXUTPCXRC-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801662 1331199865 /nfs/dbraw/zinc/19/98/65/1331199865.db2.gz WEXGOEXUTPCXRC-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801662 1331199869 /nfs/dbraw/zinc/19/98/69/1331199869.db2.gz WEXGOEXUTPCXRC-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871014 1387483476 /nfs/dbraw/zinc/48/34/76/1387483476.db2.gz ATNOAIDHJHBCPC-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001326490690 1388215222 /nfs/dbraw/zinc/21/52/22/1388215222.db2.gz SQAWOGMWKNJANC-IEBWSBKVSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001328467369 1388754858 /nfs/dbraw/zinc/75/48/58/1388754858.db2.gz DSPCBAXJDZZXBC-YLJYHZDGSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001328812953 1388879205 /nfs/dbraw/zinc/87/92/05/1388879205.db2.gz STYMXFLUEZKLFE-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001328812953 1388879212 /nfs/dbraw/zinc/87/92/12/1388879212.db2.gz STYMXFLUEZKLFE-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001317678135 1385386256 /nfs/dbraw/zinc/38/62/56/1385386256.db2.gz VPTHFMJCMKNZCG-QUCCMNQESA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001322231655 1387112659 /nfs/dbraw/zinc/11/26/59/1387112659.db2.gz UHITXLBILACEBN-IEBWSBKVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322231655 1387112661 /nfs/dbraw/zinc/11/26/61/1387112661.db2.gz UHITXLBILACEBN-IEBWSBKVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001322231655 1387112663 /nfs/dbraw/zinc/11/26/63/1387112663.db2.gz UHITXLBILACEBN-IEBWSBKVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001332948561 1390221943 /nfs/dbraw/zinc/22/19/43/1390221943.db2.gz RURSOCFYONIWAU-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480079811 1392569419 /nfs/dbraw/zinc/56/94/19/1392569419.db2.gz PMIYVFORRHKTNG-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079811 1392569423 /nfs/dbraw/zinc/56/94/23/1392569423.db2.gz PMIYVFORRHKTNG-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079811 1392569424 /nfs/dbraw/zinc/56/94/24/1392569424.db2.gz PMIYVFORRHKTNG-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480257679 1392641536 /nfs/dbraw/zinc/64/15/36/1392641536.db2.gz UDRWDXJAONRSPD-LJQANCHMSA-N 2 1 347.547 3.189 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001480410519 1392746442 /nfs/dbraw/zinc/74/64/42/1392746442.db2.gz MGGDTVBMMLCOMT-SOAGJPPSSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001481332229 1393165408 /nfs/dbraw/zinc/16/54/08/1393165408.db2.gz BJILVCRRZKUOCV-KRWDZBQOSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001481332230 1393165442 /nfs/dbraw/zinc/16/54/42/1393165442.db2.gz BJILVCRRZKUOCV-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001482070921 1394733405 /nfs/dbraw/zinc/73/34/05/1394733405.db2.gz YACDFEJLSUJSFW-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001482070921 1394733407 /nfs/dbraw/zinc/73/34/07/1394733407.db2.gz YACDFEJLSUJSFW-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001482070921 1394733412 /nfs/dbraw/zinc/73/34/12/1394733412.db2.gz YACDFEJLSUJSFW-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482495642 1395047309 /nfs/dbraw/zinc/04/73/09/1395047309.db2.gz RWESNYXWRVMSRO-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001483836745 1395104323 /nfs/dbraw/zinc/10/43/23/1395104323.db2.gz KJUFMVQQCLFOLF-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001484325833 1395342559 /nfs/dbraw/zinc/34/25/59/1395342559.db2.gz YVGUWWCWJNVDMH-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988432 1406774394 /nfs/dbraw/zinc/77/43/94/1406774394.db2.gz BFOBUELRCSUXPE-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988432 1406774396 /nfs/dbraw/zinc/77/43/96/1406774396.db2.gz BFOBUELRCSUXPE-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001698988432 1406774402 /nfs/dbraw/zinc/77/44/02/1406774402.db2.gz BFOBUELRCSUXPE-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001485449288 1395916364 /nfs/dbraw/zinc/91/63/64/1395916364.db2.gz KFRUTIOLNKRGPL-RBUKOAKNSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001485449289 1395916420 /nfs/dbraw/zinc/91/64/20/1395916420.db2.gz KFRUTIOLNKRGPL-RTBURBONSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001485449286 1395916731 /nfs/dbraw/zinc/91/67/31/1395916731.db2.gz KFRUTIOLNKRGPL-MOPGFXCFSA-N 2 1 347.547 3.378 10 30 EGEEMP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485768732 1396146638 /nfs/dbraw/zinc/14/66/38/1396146638.db2.gz YOYQXIDZLULVIM-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502730460 1396221924 /nfs/dbraw/zinc/22/19/24/1396221924.db2.gz AAUDMFNVRJKIKD-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001502947651 1396234711 /nfs/dbraw/zinc/23/47/11/1396234711.db2.gz FPOUQJDLACOBAE-OALUTQOASA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878256 1396506977 /nfs/dbraw/zinc/50/69/77/1396506977.db2.gz XYEVPWSMJHQRSG-QUCCMNQESA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878256 1396506978 /nfs/dbraw/zinc/50/69/78/1396506978.db2.gz XYEVPWSMJHQRSG-QUCCMNQESA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494878256 1396506979 /nfs/dbraw/zinc/50/69/79/1396506979.db2.gz XYEVPWSMJHQRSG-QUCCMNQESA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494878256 1396506981 /nfs/dbraw/zinc/50/69/81/1396506981.db2.gz XYEVPWSMJHQRSG-QUCCMNQESA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690450510 1404575382 /nfs/dbraw/zinc/57/53/82/1404575382.db2.gz KWEHMSZIUGJZBO-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690450510 1404575385 /nfs/dbraw/zinc/57/53/85/1404575385.db2.gz KWEHMSZIUGJZBO-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690450510 1404575386 /nfs/dbraw/zinc/57/53/86/1404575386.db2.gz KWEHMSZIUGJZBO-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086608 1405020388 /nfs/dbraw/zinc/02/03/88/1405020388.db2.gz UPYKIKRDTHMYGT-RDJZCZTQSA-N 2 1 340.471 3.192 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001732531759 1428652665 /nfs/dbraw/zinc/65/26/65/1428652665.db2.gz ZUSAEMKWKLTZSK-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001699680331 1413074792 /nfs/dbraw/zinc/07/47/92/1413074792.db2.gz MPSKOFOGDADMLT-MVCQKVDPSA-N 2 1 335.536 3.183 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001700196330 1413638008 /nfs/dbraw/zinc/63/80/08/1413638008.db2.gz DEGNNARUFSXHEI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196330 1413638010 /nfs/dbraw/zinc/63/80/10/1413638010.db2.gz DEGNNARUFSXHEI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196330 1413638013 /nfs/dbraw/zinc/63/80/13/1413638013.db2.gz DEGNNARUFSXHEI-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001700252411 1413699594 /nfs/dbraw/zinc/69/95/94/1413699594.db2.gz JTJKHMCKFNJASJ-UHFFFAOYSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001700252411 1413699595 /nfs/dbraw/zinc/69/95/95/1413699595.db2.gz JTJKHMCKFNJASJ-UHFFFAOYSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001700252411 1413699597 /nfs/dbraw/zinc/69/95/97/1413699597.db2.gz JTJKHMCKFNJASJ-UHFFFAOYSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359666 1413868987 /nfs/dbraw/zinc/86/89/87/1413868987.db2.gz RSBQMZWZIVRFBB-QZTJIDSGSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700359666 1413868993 /nfs/dbraw/zinc/86/89/93/1413868993.db2.gz RSBQMZWZIVRFBB-QZTJIDSGSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700359666 1413869002 /nfs/dbraw/zinc/86/90/02/1413869002.db2.gz RSBQMZWZIVRFBB-QZTJIDSGSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001732603891 1428855558 /nfs/dbraw/zinc/85/55/58/1428855558.db2.gz AEWQNQSGRUFRDY-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001732603891 1428855565 /nfs/dbraw/zinc/85/55/65/1428855565.db2.gz AEWQNQSGRUFRDY-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001732603891 1428855570 /nfs/dbraw/zinc/85/55/70/1428855570.db2.gz AEWQNQSGRUFRDY-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001713101340 1417654767 /nfs/dbraw/zinc/65/47/67/1417654767.db2.gz RQTDMPXBOYOKON-AZUAARDMSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001713101343 1417654888 /nfs/dbraw/zinc/65/48/88/1417654888.db2.gz RQTDMPXBOYOKON-UYAOXDASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001713442090 1418077739 /nfs/dbraw/zinc/07/77/39/1418077739.db2.gz GDJCSXCNALFXNJ-HXUWFJFHSA-N 2 1 343.515 3.299 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001713702311 1418460089 /nfs/dbraw/zinc/46/00/89/1418460089.db2.gz UAXDNARCASHAKT-IHPCNDPISA-N 2 1 343.515 3.130 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750995 1418552012 /nfs/dbraw/zinc/55/20/12/1418552012.db2.gz KZABXJWMHFIECW-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713750995 1418552014 /nfs/dbraw/zinc/55/20/14/1418552014.db2.gz KZABXJWMHFIECW-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713750995 1418552017 /nfs/dbraw/zinc/55/20/17/1418552017.db2.gz KZABXJWMHFIECW-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001713764852 1418577454 /nfs/dbraw/zinc/57/74/54/1418577454.db2.gz RSARHWIFADAZGK-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713764852 1418577459 /nfs/dbraw/zinc/57/74/59/1418577459.db2.gz RSARHWIFADAZGK-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001713764852 1418577463 /nfs/dbraw/zinc/57/74/63/1418577463.db2.gz RSARHWIFADAZGK-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899849 1418699651 /nfs/dbraw/zinc/69/96/51/1418699651.db2.gz KTQNUEAUHNRLLP-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713911316 1418707717 /nfs/dbraw/zinc/70/77/17/1418707717.db2.gz BWILTDYNTXJCFE-BGYRXZFFSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001714188841 1418995403 /nfs/dbraw/zinc/99/54/03/1418995403.db2.gz OMJXZVXYIFQKPI-XLIONFOSSA-N 2 1 346.519 3.237 10 30 EGEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001714323476 1419102131 /nfs/dbraw/zinc/10/21/31/1419102131.db2.gz JAYNRZXDEMSEJN-FQEVSTJZSA-N 2 1 343.515 3.233 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001714977939 1419712589 /nfs/dbraw/zinc/71/25/89/1419712589.db2.gz PECBWJJWDIIWLT-PMACEKPBSA-N 2 1 349.563 3.339 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001714977944 1419712926 /nfs/dbraw/zinc/71/29/26/1419712926.db2.gz PECBWJJWDIIWLT-WOJBJXKFSA-N 2 1 349.563 3.339 10 30 EGEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715144623 1419890701 /nfs/dbraw/zinc/89/07/01/1419890701.db2.gz JHOGUKSAAFBEGH-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001715316442 1420025617 /nfs/dbraw/zinc/02/56/17/1420025617.db2.gz RRZUYLVYQMYLCN-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001716052938 1420517886 /nfs/dbraw/zinc/51/78/86/1420517886.db2.gz HFZHJTBQXPVCTP-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704647 1420858823 /nfs/dbraw/zinc/85/88/23/1420858823.db2.gz YNTOSFYSISNXEP-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717042041 1421096481 /nfs/dbraw/zinc/09/64/81/1421096481.db2.gz DEQWKKLQJVACGO-SLFFLAALSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717042041 1421096483 /nfs/dbraw/zinc/09/64/83/1421096483.db2.gz DEQWKKLQJVACGO-SLFFLAALSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717042041 1421096485 /nfs/dbraw/zinc/09/64/85/1421096485.db2.gz DEQWKKLQJVACGO-SLFFLAALSA-N 2 1 349.563 3.221 10 30 EGEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001717112378 1421116013 /nfs/dbraw/zinc/11/60/13/1421116013.db2.gz FGCDZDODYAWIOW-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001717112378 1421116015 /nfs/dbraw/zinc/11/60/15/1421116015.db2.gz FGCDZDODYAWIOW-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001717112378 1421116017 /nfs/dbraw/zinc/11/60/17/1421116017.db2.gz FGCDZDODYAWIOW-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717357227 1421292460 /nfs/dbraw/zinc/29/24/60/1421292460.db2.gz CHDHRXQFPZMLNF-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001717447387 1421376979 /nfs/dbraw/zinc/37/69/79/1421376979.db2.gz KRGXJFRQZKWHHD-QLOJAFMTSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001717978612 1421749666 /nfs/dbraw/zinc/74/96/66/1421749666.db2.gz BOOLMAAXTZOIIR-UYAOXDASSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723640779 1424507355 /nfs/dbraw/zinc/50/73/55/1424507355.db2.gz LHXABYXXNMZTQQ-UHFFFAOYSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342633 1424838630 /nfs/dbraw/zinc/83/86/30/1424838630.db2.gz BJOJVOPZYBQHPL-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848142 1425204204 /nfs/dbraw/zinc/20/42/04/1425204204.db2.gz ZLVHDCJLIIARCF-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001724900543 1425295336 /nfs/dbraw/zinc/29/53/36/1425295336.db2.gz TZKBOVDSAICMHS-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724900543 1425295340 /nfs/dbraw/zinc/29/53/40/1425295340.db2.gz TZKBOVDSAICMHS-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724900543 1425295344 /nfs/dbraw/zinc/29/53/44/1425295344.db2.gz TZKBOVDSAICMHS-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724972866 1425374056 /nfs/dbraw/zinc/37/40/56/1425374056.db2.gz VITOQCBNYRFQHW-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981244 1425383361 /nfs/dbraw/zinc/38/33/61/1425383361.db2.gz XOBCQFUYLOQRAN-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981244 1425383364 /nfs/dbraw/zinc/38/33/64/1425383364.db2.gz XOBCQFUYLOQRAN-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981244 1425383368 /nfs/dbraw/zinc/38/33/68/1425383368.db2.gz XOBCQFUYLOQRAN-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001725057795 1425496465 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NSFHFOSHDHLWAI-ROUUACIJSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731560487 1427595276 /nfs/dbraw/zinc/59/52/76/1427595276.db2.gz UZJZBKWKCNCUCF-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560487 1427595280 /nfs/dbraw/zinc/59/52/80/1427595280.db2.gz UZJZBKWKCNCUCF-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560487 1427595285 /nfs/dbraw/zinc/59/52/85/1427595285.db2.gz UZJZBKWKCNCUCF-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731564195 1427601966 /nfs/dbraw/zinc/60/19/66/1427601966.db2.gz KNGVBWFGAMUIRX-CENDIDJXSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001731564195 1427601967 /nfs/dbraw/zinc/60/19/67/1427601967.db2.gz KNGVBWFGAMUIRX-CENDIDJXSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001731564195 1427601971 /nfs/dbraw/zinc/60/19/71/1427601971.db2.gz KNGVBWFGAMUIRX-CENDIDJXSA-N 2 1 347.547 3.020 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001731659914 1427712862 /nfs/dbraw/zinc/71/28/62/1427712862.db2.gz MPYPOLUORBMJQS-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731826375 1428030798 /nfs/dbraw/zinc/03/07/98/1428030798.db2.gz CLCYJIGJFQDETJ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604212 1429812052 /nfs/dbraw/zinc/81/20/52/1429812052.db2.gz VJGGLJSRLPHBBG-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604212 1429812057 /nfs/dbraw/zinc/81/20/57/1429812057.db2.gz VJGGLJSRLPHBBG-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001733907205 1437725199 /nfs/dbraw/zinc/72/51/99/1437725199.db2.gz MDWHQCCKWAJRMF-HXUWFJFHSA-N 2 1 343.515 3.010 10 30 EGEEMP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733907717 1437726757 /nfs/dbraw/zinc/72/67/57/1437726757.db2.gz VNOOPAACPFIWJA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907717 1437726759 /nfs/dbraw/zinc/72/67/59/1437726759.db2.gz VNOOPAACPFIWJA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907717 1437726761 /nfs/dbraw/zinc/72/67/61/1437726761.db2.gz VNOOPAACPFIWJA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001734090294 1437874650 /nfs/dbraw/zinc/87/46/50/1437874650.db2.gz FEKCXXCGYZIFMS-GOSISDBHSA-N 2 1 335.536 3.093 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001734104502 1437890329 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330.472 3.176 10 30 EGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246091712 455424728 /nfs/dbraw/zinc/42/47/28/455424728.db2.gz IRMVUJKGOFSADI-ZWKOTPCHSA-N 2 1 330.472 3.176 10 30 EGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000246091712 455424729 /nfs/dbraw/zinc/42/47/29/455424729.db2.gz IRMVUJKGOFSADI-ZWKOTPCHSA-N 2 1 330.472 3.176 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000597174732 459862619 /nfs/dbraw/zinc/86/26/19/459862619.db2.gz UIWYOZHBLBFJGM-LJQANCHMSA-N 2 1 340.515 3.344 10 30 EGEEMP C#CCCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019004 1300321898 /nfs/dbraw/zinc/32/18/98/1300321898.db2.gz MDKJFZKZZVDIOL-HXUWFJFHSA-N 2 1 329.488 3.180 10 30 EGEEMP C#CCCCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019004 1300321910 /nfs/dbraw/zinc/32/19/10/1300321910.db2.gz MDKJFZKZZVDIOL-HXUWFJFHSA-N 2 1 329.488 3.180 10 30 EGEEMP C#CCCCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019004 1300321922 /nfs/dbraw/zinc/32/19/22/1300321922.db2.gz MDKJFZKZZVDIOL-HXUWFJFHSA-N 2 1 329.488 3.180 10 30 EGEEMP CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136863 1328692509 /nfs/dbraw/zinc/69/25/09/1328692509.db2.gz WPKDBCCVXCTOKS-IAGOWNOFSA-N 2 1 345.487 3.339 10 30 EGEEMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136863 1328692518 /nfs/dbraw/zinc/69/25/18/1328692518.db2.gz WPKDBCCVXCTOKS-IAGOWNOFSA-N 2 1 345.487 3.339 10 30 EGEEMP C=CC1(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCCC1 ZINC000932577937 1329824472 /nfs/dbraw/zinc/82/44/72/1329824472.db2.gz TUQJOSINKSZVGT-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780403 1331191133 /nfs/dbraw/zinc/19/11/33/1331191133.db2.gz QEJNKFCJOXXHRZ-INIZCTEOSA-N 2 1 349.544 3.216 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075949 1331321877 /nfs/dbraw/zinc/32/18/77/1331321877.db2.gz RKCDHQRTAVWQTR-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075949 1331321880 /nfs/dbraw/zinc/32/18/80/1331321880.db2.gz RKCDHQRTAVWQTR-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075949 1331321885 /nfs/dbraw/zinc/32/18/85/1331321885.db2.gz RKCDHQRTAVWQTR-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324328827 1387592554 /nfs/dbraw/zinc/59/25/54/1387592554.db2.gz IYOFTGIRWIWNLW-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324328824 1387592635 /nfs/dbraw/zinc/59/26/35/1387592635.db2.gz IYOFTGIRWIWNLW-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052398 1367675587 /nfs/dbraw/zinc/67/55/87/1367675587.db2.gz FXIXWRXQDUGTBU-LJQANCHMSA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052398 1367675589 /nfs/dbraw/zinc/67/55/89/1367675589.db2.gz FXIXWRXQDUGTBU-LJQANCHMSA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052398 1367675593 /nfs/dbraw/zinc/67/55/93/1367675593.db2.gz FXIXWRXQDUGTBU-LJQANCHMSA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052398 1367675597 /nfs/dbraw/zinc/67/55/97/1367675597.db2.gz FXIXWRXQDUGTBU-LJQANCHMSA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001325954204 1388097046 /nfs/dbraw/zinc/09/70/46/1388097046.db2.gz AVIUJOCHJPOLQR-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309957 1388495154 /nfs/dbraw/zinc/49/51/54/1388495154.db2.gz ZWWAQIPTXJZKHZ-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001268161745 1377489727 /nfs/dbraw/zinc/48/97/27/1377489727.db2.gz GICFXKYNIFRXHO-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001279214537 1378302305 /nfs/dbraw/zinc/30/23/05/1378302305.db2.gz ZATUYTONIGIMRL-IYWMVGAKSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001279214537 1378302309 /nfs/dbraw/zinc/30/23/09/1378302309.db2.gz ZATUYTONIGIMRL-IYWMVGAKSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001279214537 1378302314 /nfs/dbraw/zinc/30/23/14/1378302314.db2.gz ZATUYTONIGIMRL-IYWMVGAKSA-N 2 1 349.563 3.410 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001282675074 1378545680 /nfs/dbraw/zinc/54/56/80/1378545680.db2.gz JPLVRNGHDONVBI-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328083527 1388666183 /nfs/dbraw/zinc/66/61/83/1388666183.db2.gz VMQCKCDUFGZEPD-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083527 1388666186 /nfs/dbraw/zinc/66/61/86/1388666186.db2.gz VMQCKCDUFGZEPD-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083527 1388666188 /nfs/dbraw/zinc/66/61/88/1388666188.db2.gz VMQCKCDUFGZEPD-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001328469013 1388756697 /nfs/dbraw/zinc/75/66/97/1388756697.db2.gz NVADWCFKVVCTPP-WOJBJXKFSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001328469013 1388756701 /nfs/dbraw/zinc/75/67/01/1388756701.db2.gz NVADWCFKVVCTPP-WOJBJXKFSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316768847 1384568122 /nfs/dbraw/zinc/56/81/22/1384568122.db2.gz BGYBZJAJVXDFJY-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317050019 1384826594 /nfs/dbraw/zinc/82/65/94/1384826594.db2.gz PKLDRAHGZYMDEH-FGYAAKKASA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317050019 1384826596 /nfs/dbraw/zinc/82/65/96/1384826596.db2.gz PKLDRAHGZYMDEH-FGYAAKKASA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317050019 1384826599 /nfs/dbraw/zinc/82/65/99/1384826599.db2.gz PKLDRAHGZYMDEH-FGYAAKKASA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317208827 1384985671 /nfs/dbraw/zinc/98/56/71/1384985671.db2.gz LUOBHTXSCNTKOU-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208827 1384985674 /nfs/dbraw/zinc/98/56/74/1384985674.db2.gz LUOBHTXSCNTKOU-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208827 1384985677 /nfs/dbraw/zinc/98/56/77/1384985677.db2.gz LUOBHTXSCNTKOU-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524723 1385243291 /nfs/dbraw/zinc/24/32/91/1385243291.db2.gz BIWCEGJIPTXNDK-NVXWUHKLSA-N 2 1 340.471 3.049 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318284546 1385640883 /nfs/dbraw/zinc/64/08/83/1385640883.db2.gz RFOMSBSLRSAKOF-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001319459724 1386130721 /nfs/dbraw/zinc/13/07/21/1386130721.db2.gz BMVJUZWPZPJOAC-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001319764501 1386286612 /nfs/dbraw/zinc/28/66/12/1386286612.db2.gz ZBGHEUBKHJGPFF-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001320114954 1386522644 /nfs/dbraw/zinc/52/26/44/1386522644.db2.gz NCEHQJXUEMPEPC-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001329845616 1389235099 /nfs/dbraw/zinc/23/50/99/1389235099.db2.gz HIXLNCGAQUOZTQ-ROUUACIJSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480384069 1392728938 /nfs/dbraw/zinc/72/89/38/1392728938.db2.gz USEHQAODGGJONR-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384069 1392728941 /nfs/dbraw/zinc/72/89/41/1392728941.db2.gz USEHQAODGGJONR-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384069 1392728943 /nfs/dbraw/zinc/72/89/43/1392728943.db2.gz USEHQAODGGJONR-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360363 1394199733 /nfs/dbraw/zinc/19/97/33/1394199733.db2.gz RBEPOBXNONMKLC-VQTJNVASSA-N 2 1 343.515 3.085 10 30 EGEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001482016847 1394673693 /nfs/dbraw/zinc/67/36/93/1394673693.db2.gz OAAXKYUDSXFWMG-BJLQDIEVSA-N 2 1 347.547 3.377 10 30 EGEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484100986 1395250347 /nfs/dbraw/zinc/25/03/47/1395250347.db2.gz PMBZWROAJRWJGH-ICSRJNTNSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570866 1396036147 /nfs/dbraw/zinc/03/61/47/1396036147.db2.gz UNQXGQSXQSMFQA-RTBURBONSA-N 2 1 349.563 3.125 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658879 1396088512 /nfs/dbraw/zinc/08/85/12/1396088512.db2.gz ZQKUZSAVHXSMRC-ZCNNSNEGSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001505396331 1396284545 /nfs/dbraw/zinc/28/45/45/1396284545.db2.gz FXFDFCANQYPTRI-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001493835592 1396343732 /nfs/dbraw/zinc/34/37/32/1396343732.db2.gz BMBCCTISAPFXRB-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001496349937 1396660081 /nfs/dbraw/zinc/66/00/81/1396660081.db2.gz GKXPIWAJJHXWIT-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001689265182 1396997040 /nfs/dbraw/zinc/99/70/40/1396997040.db2.gz PKJQTYFVWPCUHU-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001689365448 1403705319 /nfs/dbraw/zinc/70/53/19/1403705319.db2.gz GOLPQIKUYRURSP-GOSISDBHSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001689365448 1403705323 /nfs/dbraw/zinc/70/53/23/1403705323.db2.gz GOLPQIKUYRURSP-GOSISDBHSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691440207 1405270222 /nfs/dbraw/zinc/27/02/22/1405270222.db2.gz BLTJKUBMBWSIGP-QRVBRYPASA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818616 1405534319 /nfs/dbraw/zinc/53/43/19/1405534319.db2.gz GQAUFSMYEVVSNC-FUHWJXTLSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818616 1405534324 /nfs/dbraw/zinc/53/43/24/1405534324.db2.gz GQAUFSMYEVVSNC-FUHWJXTLSA-N 2 1 346.519 3.153 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904968 1405627927 /nfs/dbraw/zinc/62/79/27/1405627927.db2.gz LSYUNSOLUUPJBB-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691904968 1405627929 /nfs/dbraw/zinc/62/79/29/1405627929.db2.gz LSYUNSOLUUPJBB-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691904968 1405627933 /nfs/dbraw/zinc/62/79/33/1405627933.db2.gz LSYUNSOLUUPJBB-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001692195507 1405833724 /nfs/dbraw/zinc/83/37/24/1405833724.db2.gz LUQWNVJSPGDKLZ-SFHVURJKSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001692195507 1405833730 /nfs/dbraw/zinc/83/37/30/1405833730.db2.gz LUQWNVJSPGDKLZ-SFHVURJKSA-N 2 1 349.563 3.412 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692264004 1405895646 /nfs/dbraw/zinc/89/56/46/1405895646.db2.gz XFRPNFCQRTWTQQ-IBGZPJMESA-N 2 1 335.536 3.142 10 30 EGEEMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001692339820 1405958643 /nfs/dbraw/zinc/95/86/43/1405958643.db2.gz AJBKVIKMSKEUKN-RTBURBONSA-N 2 1 335.536 3.022 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001698577180 1406186709 /nfs/dbraw/zinc/18/67/09/1406186709.db2.gz OEPSKQNQNXBPEL-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001698577180 1406186712 /nfs/dbraw/zinc/18/67/12/1406186712.db2.gz OEPSKQNQNXBPEL-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577180 1406186715 /nfs/dbraw/zinc/18/67/15/1406186715.db2.gz OEPSKQNQNXBPEL-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577180 1406186718 /nfs/dbraw/zinc/18/67/18/1406186718.db2.gz OEPSKQNQNXBPEL-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001700177942 1413587308 /nfs/dbraw/zinc/58/73/08/1413587308.db2.gz TZVQLCULPQHBKM-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001700995172 1414642487 /nfs/dbraw/zinc/64/24/87/1414642487.db2.gz GECFCCMVIBSVSI-ZWKOTPCHSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037035 1429163172 /nfs/dbraw/zinc/16/31/72/1429163172.db2.gz CGKASUWPJOXIST-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733037035 1429163174 /nfs/dbraw/zinc/16/31/74/1429163174.db2.gz CGKASUWPJOXIST-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001733037035 1429163176 /nfs/dbraw/zinc/16/31/76/1429163176.db2.gz CGKASUWPJOXIST-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001707175353 1417229023 /nfs/dbraw/zinc/22/90/23/1417229023.db2.gz SGHWMBWVCQHXCS-FUMNGEBKSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087032 1417633633 /nfs/dbraw/zinc/63/36/33/1417633633.db2.gz BUSBJZLRGDHOIE-MOPGFXCFSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713087032 1417633635 /nfs/dbraw/zinc/63/36/35/1417633635.db2.gz BUSBJZLRGDHOIE-MOPGFXCFSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713087032 1417633638 /nfs/dbraw/zinc/63/36/38/1417633638.db2.gz BUSBJZLRGDHOIE-MOPGFXCFSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001713101362 1417654789 /nfs/dbraw/zinc/65/47/89/1417654789.db2.gz RVBRZPVVUJYZKZ-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713217130 1417794754 /nfs/dbraw/zinc/79/47/54/1417794754.db2.gz VINALXWQQDJPDF-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713217130 1417794757 /nfs/dbraw/zinc/79/47/57/1417794757.db2.gz VINALXWQQDJPDF-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713217130 1417794758 /nfs/dbraw/zinc/79/47/58/1417794758.db2.gz VINALXWQQDJPDF-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001713262603 1417870717 /nfs/dbraw/zinc/87/07/17/1417870717.db2.gz OHMQJQDMRDTFHO-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713730387 1418516735 /nfs/dbraw/zinc/51/67/35/1418516735.db2.gz OEVUGQKUNXPNRK-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713730387 1418516736 /nfs/dbraw/zinc/51/67/36/1418516736.db2.gz OEVUGQKUNXPNRK-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713730387 1418516742 /nfs/dbraw/zinc/51/67/42/1418516742.db2.gz OEVUGQKUNXPNRK-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713780789 1418596908 /nfs/dbraw/zinc/59/69/08/1418596908.db2.gz FSXXFFAYFFVFDJ-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713957476 1418739510 /nfs/dbraw/zinc/73/95/10/1418739510.db2.gz ANNRNHDNZMNRKZ-JPLJXNOCSA-N 2 1 347.547 3.375 10 30 EGEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714312999 1419093829 /nfs/dbraw/zinc/09/38/29/1419093829.db2.gz NKSCROUWTKQAEE-UFYCRDLUSA-N 2 1 343.515 3.273 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001714316744 1419095219 /nfs/dbraw/zinc/09/52/19/1419095219.db2.gz ATHAEIBREHRNCS-VAMGGRTRSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001714366337 1419126460 /nfs/dbraw/zinc/12/64/60/1419126460.db2.gz NXEUMBXXSLSJOG-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001714366337 1419126461 /nfs/dbraw/zinc/12/64/61/1419126461.db2.gz NXEUMBXXSLSJOG-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001714366337 1419126463 /nfs/dbraw/zinc/12/64/63/1419126463.db2.gz NXEUMBXXSLSJOG-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714439290 1419170562 /nfs/dbraw/zinc/17/05/62/1419170562.db2.gz PLJWNUKMBWZKAD-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714439290 1419170565 /nfs/dbraw/zinc/17/05/65/1419170565.db2.gz PLJWNUKMBWZKAD-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714978580 1419713211 /nfs/dbraw/zinc/71/32/11/1419713211.db2.gz RIOKTQDHAMYPNC-RBUKOAKNSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714979354 1419713916 /nfs/dbraw/zinc/71/39/16/1419713916.db2.gz RNWGAFYCXUOLMY-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001715176610 1419912485 /nfs/dbraw/zinc/91/24/85/1419912485.db2.gz QZBOVDFVFWOFEH-FQEVSTJZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001715315206 1420024532 /nfs/dbraw/zinc/02/45/32/1420024532.db2.gz XENMGWZGPPXXGE-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900256 1421031121 /nfs/dbraw/zinc/03/11/21/1421031121.db2.gz NQOWOGIRXFJUNX-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716901411 1421033160 /nfs/dbraw/zinc/03/31/60/1421033160.db2.gz HQJBBQSANKUVFO-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901411 1421033162 /nfs/dbraw/zinc/03/31/62/1421033162.db2.gz HQJBBQSANKUVFO-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901411 1421033163 /nfs/dbraw/zinc/03/31/63/1421033163.db2.gz HQJBBQSANKUVFO-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717036602 1421090324 /nfs/dbraw/zinc/09/03/24/1421090324.db2.gz GBBZHFWBWULJMQ-SLFFLAALSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717036602 1421090325 /nfs/dbraw/zinc/09/03/25/1421090325.db2.gz GBBZHFWBWULJMQ-SLFFLAALSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717036602 1421090326 /nfs/dbraw/zinc/09/03/26/1421090326.db2.gz GBBZHFWBWULJMQ-SLFFLAALSA-N 2 1 349.563 3.364 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202357 1421170336 /nfs/dbraw/zinc/17/03/36/1421170336.db2.gz RBFMKZXHZDZYHK-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001717536971 1421474850 /nfs/dbraw/zinc/47/48/50/1421474850.db2.gz UPMZOKNNURJMDL-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717536971 1421474853 /nfs/dbraw/zinc/47/48/53/1421474853.db2.gz UPMZOKNNURJMDL-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717536971 1421474855 /nfs/dbraw/zinc/47/48/55/1421474855.db2.gz UPMZOKNNURJMDL-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717560979 1421497244 /nfs/dbraw/zinc/49/72/44/1421497244.db2.gz YDMGTKMZXYVMTH-XLIONFOSSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717681483 1421563960 /nfs/dbraw/zinc/56/39/60/1421563960.db2.gz FXFSCDVGDPDNHT-MJGOQNOKSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724340201 1424832160 /nfs/dbraw/zinc/83/21/60/1424832160.db2.gz HJFLBBOOGDVHRL-RXVVDRJESA-N 2 1 349.563 3.291 10 30 EGEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCCCC)CC1 ZINC001724886016 1425268981 /nfs/dbraw/zinc/26/89/81/1425268981.db2.gz SXSVRUATHRSMMR-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCCCC)CC1 ZINC001724886016 1425268986 /nfs/dbraw/zinc/26/89/86/1425268986.db2.gz SXSVRUATHRSMMR-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001725645278 1426327720 /nfs/dbraw/zinc/32/77/20/1426327720.db2.gz ZNVBWLRKTPCWDC-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001725645278 1426327723 /nfs/dbraw/zinc/32/77/23/1426327723.db2.gz ZNVBWLRKTPCWDC-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001725769598 1426453546 /nfs/dbraw/zinc/45/35/46/1426453546.db2.gz JSMRTBSPKXCZIE-LNLFQRSKSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470938 1427450747 /nfs/dbraw/zinc/45/07/47/1427450747.db2.gz MEYLMUOFSKNTAQ-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001731542144 1427552171 /nfs/dbraw/zinc/55/21/71/1427552171.db2.gz DXRWZPBJHLQIHO-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731542144 1427552179 /nfs/dbraw/zinc/55/21/79/1427552179.db2.gz DXRWZPBJHLQIHO-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731542144 1427552183 /nfs/dbraw/zinc/55/21/83/1427552183.db2.gz DXRWZPBJHLQIHO-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715588 1427778908 /nfs/dbraw/zinc/77/89/08/1427778908.db2.gz QMXIZBOXXVOPJR-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001733600003 1429802876 /nfs/dbraw/zinc/80/28/76/1429802876.db2.gz GKDGYYIMUXRQAZ-VQTJNVASSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733604716 1429814412 /nfs/dbraw/zinc/81/44/12/1429814412.db2.gz YNGQZNHHFQAGHJ-GBESFXJTSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001733783058 1430050908 /nfs/dbraw/zinc/05/09/08/1430050908.db2.gz VSRWUKKXXWRJPL-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783058 1430050915 /nfs/dbraw/zinc/05/09/15/1430050915.db2.gz VSRWUKKXXWRJPL-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783058 1430050918 /nfs/dbraw/zinc/05/09/18/1430050918.db2.gz VSRWUKKXXWRJPL-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001733805703 1430076431 /nfs/dbraw/zinc/07/64/31/1430076431.db2.gz RFQNFVUOZJAUTF-UHFFFAOYSA-N 2 1 347.547 3.024 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001733897188 1437714867 /nfs/dbraw/zinc/71/48/67/1437714867.db2.gz CLTNIOKXBVAQLI-RDJZCZTQSA-N 2 1 349.544 3.359 10 30 EGEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001734021355 1437810056 /nfs/dbraw/zinc/81/00/56/1437810056.db2.gz GTYBXTYXOKGOOV-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146205 1437914539 /nfs/dbraw/zinc/91/45/39/1437914539.db2.gz OZXOYWFKBZFOKI-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146205 1437914540 /nfs/dbraw/zinc/91/45/40/1437914540.db2.gz OZXOYWFKBZFOKI-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146205 1437914541 /nfs/dbraw/zinc/91/45/41/1437914541.db2.gz OZXOYWFKBZFOKI-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001734494064 1438131610 /nfs/dbraw/zinc/13/16/10/1438131610.db2.gz NWXYJZNZYMINHJ-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)[nH+]1 ZINC000171652181 227198883 /nfs/dbraw/zinc/19/88/83/227198883.db2.gz JVZQGIHZWFBTIX-SFHVURJKSA-N 2 1 336.439 3.075 10 30 EGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)C2)[nH+]1 ZINC000171652181 227198888 /nfs/dbraw/zinc/19/88/88/227198888.db2.gz JVZQGIHZWFBTIX-SFHVURJKSA-N 2 1 336.439 3.075 10 30 EGEEMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000172688227 455172323 /nfs/dbraw/zinc/17/23/23/455172323.db2.gz IQOAQELOPBPIBW-UHFFFAOYSA-N 2 1 335.451 3.321 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000247250401 455578442 /nfs/dbraw/zinc/57/84/42/455578442.db2.gz XEOAUNKEXNCPDH-QZTJIDSGSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000247250401 455578443 /nfs/dbraw/zinc/57/84/43/455578443.db2.gz XEOAUNKEXNCPDH-QZTJIDSGSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1O ZINC000247250401 455578444 /nfs/dbraw/zinc/57/84/44/455578444.db2.gz XEOAUNKEXNCPDH-QZTJIDSGSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1O ZINC000247250401 455578445 /nfs/dbraw/zinc/57/84/45/455578445.db2.gz XEOAUNKEXNCPDH-QZTJIDSGSA-N 2 1 330.472 3.045 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599372861 460241405 /nfs/dbraw/zinc/24/14/05/460241405.db2.gz NZOBLUKVVHTQKU-XLIONFOSSA-N 2 1 329.488 3.093 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629653725 460848515 /nfs/dbraw/zinc/84/85/15/460848515.db2.gz FSVLDORZXJEOLL-HOCLYGCPSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629653725 460848518 /nfs/dbraw/zinc/84/85/18/460848518.db2.gz FSVLDORZXJEOLL-HOCLYGCPSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785501 461895731 /nfs/dbraw/zinc/89/57/31/461895731.db2.gz KXKIBKRMYAZRSG-LJQANCHMSA-N 2 1 344.499 3.472 10 30 EGEEMP C[N@H+](Cc1cncc(C#N)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000721607315 1298332516 /nfs/dbraw/zinc/33/25/16/1298332516.db2.gz SUCVEUZOEDTGRG-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C#CC[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](CC#C)C3)c2)C1 ZINC000886365731 1303449119 /nfs/dbraw/zinc/44/91/19/1303449119.db2.gz OLJUUHPJUJRJRW-PMACEKPBSA-N 2 1 345.490 3.249 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138510 1331349733 /nfs/dbraw/zinc/34/97/33/1331349733.db2.gz LFCGIIJBCDAJJL-IBGZPJMESA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001323721382 1387431294 /nfs/dbraw/zinc/43/12/94/1387431294.db2.gz FWAQQDZEGFPRTA-UHFFFAOYSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871010 1387483838 /nfs/dbraw/zinc/48/38/38/1387483838.db2.gz ATNOAIDHJHBCPC-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327493703 1388535639 /nfs/dbraw/zinc/53/56/39/1388535639.db2.gz UFXXJOMKFNWMOT-IBGZPJMESA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797075 1388868057 /nfs/dbraw/zinc/86/80/57/1388868057.db2.gz LOEDAOWTKBQOLN-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)cc1 ZINC001308440865 1384126143 /nfs/dbraw/zinc/12/61/43/1384126143.db2.gz XURKZOIWPMNPOW-DHIUTWEWSA-N 2 1 348.490 3.295 10 30 EGEEMP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)cc1 ZINC001308440865 1384126145 /nfs/dbraw/zinc/12/61/45/1384126145.db2.gz XURKZOIWPMNPOW-DHIUTWEWSA-N 2 1 348.490 3.295 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001316722774 1384542457 /nfs/dbraw/zinc/54/24/57/1384542457.db2.gz NZSRBUGSSGAZIJ-RLLQIKCJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316722774 1384542461 /nfs/dbraw/zinc/54/24/61/1384542461.db2.gz NZSRBUGSSGAZIJ-RLLQIKCJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316722774 1384542463 /nfs/dbraw/zinc/54/24/63/1384542463.db2.gz NZSRBUGSSGAZIJ-RLLQIKCJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001316771120 1384570114 /nfs/dbraw/zinc/57/01/14/1384570114.db2.gz FIVFFKWGIJHHJT-LJQANCHMSA-N 2 1 346.519 3.299 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001316782862 1384580141 /nfs/dbraw/zinc/58/01/41/1384580141.db2.gz LLFCGXGXNHWKQP-HBFSDRIKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001316782862 1384580142 /nfs/dbraw/zinc/58/01/42/1384580142.db2.gz LLFCGXGXNHWKQP-HBFSDRIKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001316782862 1384580143 /nfs/dbraw/zinc/58/01/43/1384580143.db2.gz LLFCGXGXNHWKQP-HBFSDRIKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317328011 1385084135 /nfs/dbraw/zinc/08/41/35/1385084135.db2.gz ZCWKRGSNTDYLLX-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318437403 1385690266 /nfs/dbraw/zinc/69/02/66/1385690266.db2.gz PKZBIPRKAJUFBS-LJQANCHMSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001318884547 1385869933 /nfs/dbraw/zinc/86/99/33/1385869933.db2.gz CKADLWCWMRWYPR-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001318976986 1385905688 /nfs/dbraw/zinc/90/56/88/1385905688.db2.gz TUJXTTXMQYVVKJ-GUDVDZBRSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001319881865 1386358419 /nfs/dbraw/zinc/35/84/19/1386358419.db2.gz UWSNPYQZICDQNA-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001319881865 1386358426 /nfs/dbraw/zinc/35/84/26/1386358426.db2.gz UWSNPYQZICDQNA-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001319881865 1386358436 /nfs/dbraw/zinc/35/84/36/1386358436.db2.gz UWSNPYQZICDQNA-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001329229920 1389028751 /nfs/dbraw/zinc/02/87/51/1389028751.db2.gz DEJKNZBXJWTCQO-AOCRQIFASA-N 2 1 346.519 3.332 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001329733760 1389212587 /nfs/dbraw/zinc/21/25/87/1389212587.db2.gz JGSOGQOEODVHGZ-SJORKVTESA-N 2 1 343.943 3.074 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001332099195 1389982582 /nfs/dbraw/zinc/98/25/82/1389982582.db2.gz HTVLVHFPLJYVHR-ICSRJNTNSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001332099195 1389982586 /nfs/dbraw/zinc/98/25/86/1389982586.db2.gz HTVLVHFPLJYVHR-ICSRJNTNSA-N 2 1 346.519 3.275 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001332991779 1390232085 /nfs/dbraw/zinc/23/20/85/1390232085.db2.gz KAZYWQNLMZTHJF-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479691195 1392322592 /nfs/dbraw/zinc/32/25/92/1392322592.db2.gz XJPMQVVPIYYGKW-RBUKOAKNSA-N 2 1 337.552 3.412 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480384071 1392728835 /nfs/dbraw/zinc/72/88/35/1392728835.db2.gz USEHQAODGGJONR-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384071 1392728839 /nfs/dbraw/zinc/72/88/39/1392728839.db2.gz USEHQAODGGJONR-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384071 1392728841 /nfs/dbraw/zinc/72/88/41/1392728841.db2.gz USEHQAODGGJONR-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001698894509 1406626781 /nfs/dbraw/zinc/62/67/81/1406626781.db2.gz WVHFEIKFXVFQEW-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001482000125 1394658780 /nfs/dbraw/zinc/65/87/80/1394658780.db2.gz GUFOBAIQYVWVKD-UXHICEINSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482409859 1394974538 /nfs/dbraw/zinc/97/45/38/1394974538.db2.gz RIOKTQDHAMYPNC-OALUTQOASA-N 2 1 335.536 3.092 10 30 EGEEMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001484023100 1395194752 /nfs/dbraw/zinc/19/47/52/1395194752.db2.gz VTOLQJOYHSBCKZ-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001484023100 1395194756 /nfs/dbraw/zinc/19/47/56/1395194756.db2.gz VTOLQJOYHSBCKZ-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001484023100 1395194758 /nfs/dbraw/zinc/19/47/58/1395194758.db2.gz VTOLQJOYHSBCKZ-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484158765 1395294288 /nfs/dbraw/zinc/29/42/88/1395294288.db2.gz IFYJJIVXWYWYAK-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001484158765 1395294293 /nfs/dbraw/zinc/29/42/93/1395294293.db2.gz IFYJJIVXWYWYAK-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001484158765 1395294295 /nfs/dbraw/zinc/29/42/95/1395294295.db2.gz IFYJJIVXWYWYAK-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163891 1395300199 /nfs/dbraw/zinc/30/01/99/1395300199.db2.gz PSEZIHWZGGGRDE-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001484820498 1395554734 /nfs/dbraw/zinc/55/47/34/1395554734.db2.gz VGQOQRPBGVLDMW-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937968 1395595693 /nfs/dbraw/zinc/59/56/93/1395595693.db2.gz SVQCYGQLEWZTLD-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937968 1395595697 /nfs/dbraw/zinc/59/56/97/1395595697.db2.gz SVQCYGQLEWZTLD-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937968 1395595702 /nfs/dbraw/zinc/59/57/02/1395595702.db2.gz SVQCYGQLEWZTLD-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001505397391 1396284834 /nfs/dbraw/zinc/28/48/34/1396284834.db2.gz DQSQSDXQPOQZEC-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001505397391 1396284839 /nfs/dbraw/zinc/28/48/39/1396284839.db2.gz DQSQSDXQPOQZEC-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001505397391 1396284840 /nfs/dbraw/zinc/28/48/40/1396284840.db2.gz DQSQSDXQPOQZEC-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001505397392 1396284945 /nfs/dbraw/zinc/28/49/45/1396284945.db2.gz DQSQSDXQPOQZEC-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001505397392 1396284946 /nfs/dbraw/zinc/28/49/46/1396284946.db2.gz DQSQSDXQPOQZEC-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001505397392 1396284948 /nfs/dbraw/zinc/28/49/48/1396284948.db2.gz DQSQSDXQPOQZEC-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001505401304 1396289366 /nfs/dbraw/zinc/28/93/66/1396289366.db2.gz YOAXIRVWIFLDGE-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001690208491 1404416465 /nfs/dbraw/zinc/41/64/65/1404416465.db2.gz MCCDNIGIRQGWQG-KDURUIRLSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001690208491 1404416468 /nfs/dbraw/zinc/41/64/68/1404416468.db2.gz MCCDNIGIRQGWQG-KDURUIRLSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001690208491 1404416469 /nfs/dbraw/zinc/41/64/69/1404416469.db2.gz MCCDNIGIRQGWQG-KDURUIRLSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001690459936 1404590998 /nfs/dbraw/zinc/59/09/98/1404590998.db2.gz WAYBRDXENUKOOJ-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001690484275 1404601101 /nfs/dbraw/zinc/60/11/01/1404601101.db2.gz MSJMVDUTEDRLDJ-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690732841 1404701582 /nfs/dbraw/zinc/70/15/82/1404701582.db2.gz QVAWCGCYQUUJEH-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690826705 1404764366 /nfs/dbraw/zinc/76/43/66/1404764366.db2.gz MTQXRUPXTZRQCC-LJQANCHMSA-N 2 1 335.536 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001725641148 1426319354 /nfs/dbraw/zinc/31/93/54/1426319354.db2.gz XWFKWZNGSPCEMD-ZWKOTPCHSA-N 2 1 337.552 3.410 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691165892 1405101129 /nfs/dbraw/zinc/10/11/29/1405101129.db2.gz IRXJVAOEYQMQMK-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001691165892 1405101132 /nfs/dbraw/zinc/10/11/32/1405101132.db2.gz IRXJVAOEYQMQMK-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001691165892 1405101136 /nfs/dbraw/zinc/10/11/36/1405101136.db2.gz IRXJVAOEYQMQMK-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001691787392 1405496593 /nfs/dbraw/zinc/49/65/93/1405496593.db2.gz LTJODNWALACSCH-SFHVURJKSA-N 2 1 340.471 3.145 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813976 1405527994 /nfs/dbraw/zinc/52/79/94/1405527994.db2.gz OTXKIXYEMKVQLT-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813976 1405527998 /nfs/dbraw/zinc/52/79/98/1405527998.db2.gz OTXKIXYEMKVQLT-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813976 1405528002 /nfs/dbraw/zinc/52/80/02/1405528002.db2.gz OTXKIXYEMKVQLT-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030610 1405747750 /nfs/dbraw/zinc/74/77/50/1405747750.db2.gz YMNGRQWVMBTRTL-FQEVSTJZSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030610 1405747751 /nfs/dbraw/zinc/74/77/51/1405747751.db2.gz YMNGRQWVMBTRTL-FQEVSTJZSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001732403070 1428567529 /nfs/dbraw/zinc/56/75/29/1428567529.db2.gz CQGANFGXCPKCGQ-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001699677567 1413072186 /nfs/dbraw/zinc/07/21/86/1413072186.db2.gz VSHXACGDNNNKHS-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001699677567 1413072191 /nfs/dbraw/zinc/07/21/91/1413072191.db2.gz VSHXACGDNNNKHS-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001699677567 1413072195 /nfs/dbraw/zinc/07/21/95/1413072195.db2.gz VSHXACGDNNNKHS-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001699870064 1413316045 /nfs/dbraw/zinc/31/60/45/1413316045.db2.gz WVEWVHXDUCQZLY-CTNGQTDRSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001699870064 1413316050 /nfs/dbraw/zinc/31/60/50/1413316050.db2.gz WVEWVHXDUCQZLY-CTNGQTDRSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001699870064 1413316052 /nfs/dbraw/zinc/31/60/52/1413316052.db2.gz WVEWVHXDUCQZLY-CTNGQTDRSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001699879791 1413346146 /nfs/dbraw/zinc/34/61/46/1413346146.db2.gz YHVNMSMTZSLPNF-HXUWFJFHSA-N 2 1 335.536 3.047 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001700016771 1413462215 /nfs/dbraw/zinc/46/22/15/1413462215.db2.gz KXZWPRHKHDCIPZ-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016771 1413462216 /nfs/dbraw/zinc/46/22/16/1413462216.db2.gz KXZWPRHKHDCIPZ-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016771 1413462217 /nfs/dbraw/zinc/46/22/17/1413462217.db2.gz KXZWPRHKHDCIPZ-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001700092615 1413507038 /nfs/dbraw/zinc/50/70/38/1413507038.db2.gz YHLZUNOCIJNHJZ-UHFFFAOYSA-N 2 1 343.515 3.185 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001700105877 1413524629 /nfs/dbraw/zinc/52/46/29/1413524629.db2.gz NTBYXMMGUQFZDV-RTBURBONSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199156 1413640898 /nfs/dbraw/zinc/64/08/98/1413640898.db2.gz UHBFZMPZSNEKBA-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199315 1413641914 /nfs/dbraw/zinc/64/19/14/1413641914.db2.gz VGOUFHLDQQGADR-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001700222496 1413670538 /nfs/dbraw/zinc/67/05/38/1413670538.db2.gz IVHABYKIXZUWPM-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313022 1413767758 /nfs/dbraw/zinc/76/77/58/1413767758.db2.gz FASISSXLIOFYMX-MSOLQXFVSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001700314618 1413772080 /nfs/dbraw/zinc/77/20/80/1413772080.db2.gz VWOIVFWMMVRDFW-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700530597 1414197666 /nfs/dbraw/zinc/19/76/66/1414197666.db2.gz FPDMBZBCSFVCSC-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700530597 1414197669 /nfs/dbraw/zinc/19/76/69/1414197669.db2.gz FPDMBZBCSFVCSC-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001700883223 1414540648 /nfs/dbraw/zinc/54/06/48/1414540648.db2.gz RESZZJCUJHBQRK-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001700989190 1414633114 /nfs/dbraw/zinc/63/31/14/1414633114.db2.gz XJPGYXRAQADOOC-ZWKOTPCHSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001700995166 1414642370 /nfs/dbraw/zinc/64/23/70/1414642370.db2.gz GECFCCMVIBSVSI-MSOLQXFVSA-N 2 1 337.552 3.336 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001707234484 1417255571 /nfs/dbraw/zinc/25/55/71/1417255571.db2.gz MLKOYSXRRSWAJB-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001707240488 1417260681 /nfs/dbraw/zinc/26/06/81/1417260681.db2.gz JRFCCYUDYKHJEF-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001707240488 1417260683 /nfs/dbraw/zinc/26/06/83/1417260683.db2.gz JRFCCYUDYKHJEF-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131546 1417705389 /nfs/dbraw/zinc/70/53/89/1417705389.db2.gz HALAAKXCZMGTJN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713131546 1417705391 /nfs/dbraw/zinc/70/53/91/1417705391.db2.gz HALAAKXCZMGTJN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713131546 1417705394 /nfs/dbraw/zinc/70/53/94/1417705394.db2.gz HALAAKXCZMGTJN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC001714972916 1419707757 /nfs/dbraw/zinc/70/77/57/1419707757.db2.gz AJUXQRMEEHJCDD-UXHICEINSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031922 1419764333 /nfs/dbraw/zinc/76/43/33/1419764333.db2.gz VFNMAYCUBYFPBM-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715048708 1419789708 /nfs/dbraw/zinc/78/97/08/1419789708.db2.gz XOIWIDPDKOZOCO-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001715160374 1419901672 /nfs/dbraw/zinc/90/16/72/1419901672.db2.gz JBBKXLCKIBIVDT-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001715181960 1419916071 /nfs/dbraw/zinc/91/60/71/1419916071.db2.gz GGLPEMSWSCMGEI-WTGUMLROSA-N 2 1 349.563 3.479 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733274339 1429437297 /nfs/dbraw/zinc/43/72/97/1429437297.db2.gz FKOAJBFQXBDKLI-CEXWTWQISA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733274340 1429437310 /nfs/dbraw/zinc/43/73/10/1429437310.db2.gz FKOAJBFQXBDKLI-QYZOEREBSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001716712079 1420864569 /nfs/dbraw/zinc/86/45/69/1420864569.db2.gz VKMIXYGZSNVAMJ-QYZOEREBSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001716818901 1420944951 /nfs/dbraw/zinc/94/49/51/1420944951.db2.gz NSGIMNJTVQAOSQ-SFHVURJKSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716901410 1421033071 /nfs/dbraw/zinc/03/30/71/1421033071.db2.gz HQJBBQSANKUVFO-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901410 1421033075 /nfs/dbraw/zinc/03/30/75/1421033075.db2.gz HQJBBQSANKUVFO-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901410 1421033076 /nfs/dbraw/zinc/03/30/76/1421033076.db2.gz HQJBBQSANKUVFO-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030880 1421084704 /nfs/dbraw/zinc/08/47/04/1421084704.db2.gz GJEXDFUBNSJHLE-QYZOEREBSA-N 2 1 337.552 3.362 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC001717631447 1421540777 /nfs/dbraw/zinc/54/07/77/1421540777.db2.gz VPSSRVXAPUNMOG-JYAXBFRTSA-N 2 1 349.563 3.098 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001717906384 1421701915 /nfs/dbraw/zinc/70/19/15/1421701915.db2.gz XXKHHDDZJVKWJE-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402107 1429596839 /nfs/dbraw/zinc/59/68/39/1429596839.db2.gz HMRMIFYDQINFIO-WIYYLYMNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733402107 1429596841 /nfs/dbraw/zinc/59/68/41/1429596841.db2.gz HMRMIFYDQINFIO-WIYYLYMNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733402107 1429596843 /nfs/dbraw/zinc/59/68/43/1429596843.db2.gz HMRMIFYDQINFIO-WIYYLYMNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402101 1429596901 /nfs/dbraw/zinc/59/69/01/1429596901.db2.gz HMRMIFYDQINFIO-NQIIRXRSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733402101 1429596902 /nfs/dbraw/zinc/59/69/02/1429596902.db2.gz HMRMIFYDQINFIO-NQIIRXRSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733402101 1429596904 /nfs/dbraw/zinc/59/69/04/1429596904.db2.gz HMRMIFYDQINFIO-NQIIRXRSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001723699772 1424537354 /nfs/dbraw/zinc/53/73/54/1424537354.db2.gz QYIKHOJBIVYARJ-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001724610573 1424950573 /nfs/dbraw/zinc/95/05/73/1424950573.db2.gz IQIQHSYZCLNYAY-LWYYNNOASA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001724748819 1425118281 /nfs/dbraw/zinc/11/82/81/1425118281.db2.gz KFMNTCZQMRJWCE-FXAWDEMLSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001724839926 1425189238 /nfs/dbraw/zinc/18/92/38/1425189238.db2.gz VHJXVGXUOQJOPR-KRWDZBQOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001724839926 1425189239 /nfs/dbraw/zinc/18/92/39/1425189239.db2.gz VHJXVGXUOQJOPR-KRWDZBQOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001724839926 1425189241 /nfs/dbraw/zinc/18/92/41/1425189241.db2.gz VHJXVGXUOQJOPR-KRWDZBQOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001724870345 1425253539 /nfs/dbraw/zinc/25/35/39/1425253539.db2.gz YIRFWAHQWRTEFS-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870345 1425253545 /nfs/dbraw/zinc/25/35/45/1425253545.db2.gz YIRFWAHQWRTEFS-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870345 1425253546 /nfs/dbraw/zinc/25/35/46/1425253546.db2.gz YIRFWAHQWRTEFS-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724959332 1425347149 /nfs/dbraw/zinc/34/71/49/1425347149.db2.gz JWLAFHMSBXXOQV-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725237913 1425831029 /nfs/dbraw/zinc/83/10/29/1425831029.db2.gz ALBQYWCPSFZTJX-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725237913 1425831037 /nfs/dbraw/zinc/83/10/37/1425831037.db2.gz ALBQYWCPSFZTJX-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725237913 1425831047 /nfs/dbraw/zinc/83/10/47/1425831047.db2.gz ALBQYWCPSFZTJX-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335996 1425981668 /nfs/dbraw/zinc/98/16/68/1425981668.db2.gz LTSKKCKNMHIFDC-OTWHNJEPSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335996 1425981674 /nfs/dbraw/zinc/98/16/74/1425981674.db2.gz LTSKKCKNMHIFDC-OTWHNJEPSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335996 1425981679 /nfs/dbraw/zinc/98/16/79/1425981679.db2.gz LTSKKCKNMHIFDC-OTWHNJEPSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001725346132 1425997425 /nfs/dbraw/zinc/99/74/25/1425997425.db2.gz RDQQFCDWCMBHPU-IBGZPJMESA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001725346132 1425997428 /nfs/dbraw/zinc/99/74/28/1425997428.db2.gz RDQQFCDWCMBHPU-IBGZPJMESA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001725346132 1425997429 /nfs/dbraw/zinc/99/74/29/1425997429.db2.gz RDQQFCDWCMBHPU-IBGZPJMESA-N 2 1 349.563 3.223 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725790671 1426476448 /nfs/dbraw/zinc/47/64/48/1426476448.db2.gz INVIKIDJPBOLGQ-ZWKOTPCHSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725790669 1426476736 /nfs/dbraw/zinc/47/67/36/1426476736.db2.gz INVIKIDJPBOLGQ-QZTJIDSGSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731504089 1427487933 /nfs/dbraw/zinc/48/79/33/1427487933.db2.gz UPXOKCXYBCDCRG-KRWDZBQOSA-N 2 1 340.471 3.051 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731560486 1427595535 /nfs/dbraw/zinc/59/55/35/1427595535.db2.gz UZJZBKWKCNCUCF-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560486 1427595540 /nfs/dbraw/zinc/59/55/40/1427595540.db2.gz UZJZBKWKCNCUCF-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560486 1427595542 /nfs/dbraw/zinc/59/55/42/1427595542.db2.gz UZJZBKWKCNCUCF-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001733695588 1429913584 /nfs/dbraw/zinc/91/35/84/1429913584.db2.gz ISRNQPHVBOPRLD-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001733763033 1429980893 /nfs/dbraw/zinc/98/08/93/1429980893.db2.gz SRDRAMRIMWIABH-IBGZPJMESA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001734456656 1438114032 /nfs/dbraw/zinc/11/40/32/1438114032.db2.gz HKDBOZSVLUAOAZ-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001734494067 1438131584 /nfs/dbraw/zinc/13/15/84/1438131584.db2.gz NWXYJZNZYMINHJ-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001750928325 1440112209 /nfs/dbraw/zinc/11/22/09/1440112209.db2.gz FVBKKNWAGDYELI-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001750928325 1440112211 /nfs/dbraw/zinc/11/22/11/1440112211.db2.gz FVBKKNWAGDYELI-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001750928325 1440112212 /nfs/dbraw/zinc/11/22/12/1440112212.db2.gz FVBKKNWAGDYELI-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001750946622 1440119045 /nfs/dbraw/zinc/11/90/45/1440119045.db2.gz INDQBDZQEMSDGW-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946622 1440119046 /nfs/dbraw/zinc/11/90/46/1440119046.db2.gz INDQBDZQEMSDGW-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946622 1440119047 /nfs/dbraw/zinc/11/90/47/1440119047.db2.gz INDQBDZQEMSDGW-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000356102027 166399942 /nfs/dbraw/zinc/39/99/42/166399942.db2.gz RQKBNFQOIDSWBB-AWEZNQCLSA-N 2 1 325.378 3.351 10 30 EGEEMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000356102027 166399947 /nfs/dbraw/zinc/39/99/47/166399947.db2.gz RQKBNFQOIDSWBB-AWEZNQCLSA-N 2 1 325.378 3.351 10 30 EGEEMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000356102027 166399952 /nfs/dbraw/zinc/39/99/52/166399952.db2.gz RQKBNFQOIDSWBB-AWEZNQCLSA-N 2 1 325.378 3.351 10 30 EGEEMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000356102027 166399956 /nfs/dbraw/zinc/39/99/56/166399956.db2.gz RQKBNFQOIDSWBB-AWEZNQCLSA-N 2 1 325.378 3.351 10 30 EGEEMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187807 270049124 /nfs/dbraw/zinc/04/91/24/270049124.db2.gz MUMUNAQAPFKOKL-OAQYLSRUSA-N 2 1 334.467 3.490 10 30 EGEEMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352837051 456351331 /nfs/dbraw/zinc/35/13/31/456351331.db2.gz YJNWSPDPGBDXRA-UHFFFAOYSA-N 2 1 344.484 3.025 10 30 EGEEMP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000356102028 457448247 /nfs/dbraw/zinc/44/82/47/457448247.db2.gz RQKBNFQOIDSWBB-CQSZACIVSA-N 2 1 325.378 3.351 10 30 EGEEMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000356102028 457448254 /nfs/dbraw/zinc/44/82/54/457448254.db2.gz RQKBNFQOIDSWBB-CQSZACIVSA-N 2 1 325.378 3.351 10 30 EGEEMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000356102028 457448259 /nfs/dbraw/zinc/44/82/59/457448259.db2.gz RQKBNFQOIDSWBB-CQSZACIVSA-N 2 1 325.378 3.351 10 30 EGEEMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000356102028 457448265 /nfs/dbraw/zinc/44/82/65/457448265.db2.gz RQKBNFQOIDSWBB-CQSZACIVSA-N 2 1 325.378 3.351 10 30 EGEEMP CN(CCC#N)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373486690 458506847 /nfs/dbraw/zinc/50/68/47/458506847.db2.gz SQYLTFVRFVWPPH-UHFFFAOYSA-N 2 1 326.488 3.143 10 30 EGEEMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069830 459235727 /nfs/dbraw/zinc/23/57/27/459235727.db2.gz LEQAQWKHKKHOGC-FGZHOGPDSA-N 2 1 349.478 3.366 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000581424144 459272782 /nfs/dbraw/zinc/27/27/82/459272782.db2.gz ANMXPXVCBRIXLQ-IBGZPJMESA-N 2 1 346.515 3.180 10 30 EGEEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000595892747 459478078 /nfs/dbraw/zinc/47/80/78/459478078.db2.gz LQQSDMYMBPYFAM-XUJVJEKNSA-N 2 1 325.378 3.382 10 30 EGEEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000595892747 459478085 /nfs/dbraw/zinc/47/80/85/459478085.db2.gz LQQSDMYMBPYFAM-XUJVJEKNSA-N 2 1 325.378 3.382 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599372860 460241674 /nfs/dbraw/zinc/24/16/74/460241674.db2.gz NZOBLUKVVHTQKU-PXNSSMCTSA-N 2 1 329.488 3.093 10 30 EGEEMP C=CC(C)(C)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638454903 461435894 /nfs/dbraw/zinc/43/58/94/461435894.db2.gz NOIACYJCXSQSPZ-UHFFFAOYSA-N 2 1 343.515 3.089 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924986408 1323236121 /nfs/dbraw/zinc/23/61/21/1323236121.db2.gz MAGLAHFMLNJBET-XLIONFOSSA-N 2 1 330.520 3.070 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857780 1331223112 /nfs/dbraw/zinc/22/31/12/1331223112.db2.gz CZROQHYSFAHNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857780 1331223120 /nfs/dbraw/zinc/22/31/20/1331223120.db2.gz CZROQHYSFAHNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857780 1331223125 /nfs/dbraw/zinc/22/31/25/1331223125.db2.gz CZROQHYSFAHNKO-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324642910 1387715440 /nfs/dbraw/zinc/71/54/40/1387715440.db2.gz ZLGXYHWJDJLCSC-CMKODMSKSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001324642910 1387715447 /nfs/dbraw/zinc/71/54/47/1387715447.db2.gz ZLGXYHWJDJLCSC-CMKODMSKSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001324642910 1387715451 /nfs/dbraw/zinc/71/54/51/1387715451.db2.gz ZLGXYHWJDJLCSC-CMKODMSKSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001324880569 1387802615 /nfs/dbraw/zinc/80/26/15/1387802615.db2.gz ORLUOEMXYPUHQH-LJQANCHMSA-N 2 1 347.547 3.188 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H](NCc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742325 1371397226 /nfs/dbraw/zinc/39/72/26/1371397226.db2.gz ILOIVLRZTBRDLM-KXBFYZLASA-N 2 1 349.906 3.438 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742325 1371397237 /nfs/dbraw/zinc/39/72/37/1371397237.db2.gz ILOIVLRZTBRDLM-KXBFYZLASA-N 2 1 349.906 3.438 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566215 1388241510 /nfs/dbraw/zinc/24/15/10/1388241510.db2.gz GZWHXNQFQDSQJO-FHWLQOOXSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111213 1377189836 /nfs/dbraw/zinc/18/98/36/1377189836.db2.gz YDFBBVDJGFCOJO-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266111213 1377189837 /nfs/dbraw/zinc/18/98/37/1377189837.db2.gz YDFBBVDJGFCOJO-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266111213 1377189838 /nfs/dbraw/zinc/18/98/38/1377189838.db2.gz YDFBBVDJGFCOJO-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127489 1379503382 /nfs/dbraw/zinc/50/33/82/1379503382.db2.gz BKPPJJCGPAIURR-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001284127489 1379503388 /nfs/dbraw/zinc/50/33/88/1379503388.db2.gz BKPPJJCGPAIURR-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001284127489 1379503390 /nfs/dbraw/zinc/50/33/90/1379503390.db2.gz BKPPJJCGPAIURR-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284151128 1379545908 /nfs/dbraw/zinc/54/59/08/1379545908.db2.gz DOXWVVQTWZEKGJ-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284151128 1379545913 /nfs/dbraw/zinc/54/59/13/1379545913.db2.gz DOXWVVQTWZEKGJ-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328083530 1388665925 /nfs/dbraw/zinc/66/59/25/1388665925.db2.gz VMQCKCDUFGZEPD-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083530 1388665929 /nfs/dbraw/zinc/66/59/29/1388665929.db2.gz VMQCKCDUFGZEPD-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083530 1388665934 /nfs/dbraw/zinc/66/59/34/1388665934.db2.gz VMQCKCDUFGZEPD-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001328620330 1388790543 /nfs/dbraw/zinc/79/05/43/1388790543.db2.gz HQSVCIUUEFMBFK-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316812559 1384611788 /nfs/dbraw/zinc/61/17/88/1384611788.db2.gz YKEGMBKLHCPXRG-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944223 1384716497 /nfs/dbraw/zinc/71/64/97/1384716497.db2.gz KPTACAPNIZIBCJ-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316944223 1384716501 /nfs/dbraw/zinc/71/65/01/1384716501.db2.gz KPTACAPNIZIBCJ-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316944223 1384716504 /nfs/dbraw/zinc/71/65/04/1384716504.db2.gz KPTACAPNIZIBCJ-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318897234 1385873403 /nfs/dbraw/zinc/87/34/03/1385873403.db2.gz UOISANSPGSYEMT-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001319818314 1386314432 /nfs/dbraw/zinc/31/44/32/1386314432.db2.gz FBIWEGSEMSGBEO-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001319876067 1386353836 /nfs/dbraw/zinc/35/38/36/1386353836.db2.gz FVERFZPJGXYSGI-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CC[C@H](SC)C2)C1 ZINC001321742953 1386972107 /nfs/dbraw/zinc/97/21/07/1386972107.db2.gz JOWZFHOHZPYGBO-FZDBZEDMSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@H]([N@@H+](C)CC#CC[NH+](C)[C@@H]2CC[C@H](SC)C2)C1 ZINC001321742953 1386972110 /nfs/dbraw/zinc/97/21/10/1386972110.db2.gz JOWZFHOHZPYGBO-FZDBZEDMSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@H]([N@H+](C)CC#CC[NH+](C)[C@@H]2CC[C@H](SC)C2)C1 ZINC001321742953 1386972112 /nfs/dbraw/zinc/97/21/12/1386972112.db2.gz JOWZFHOHZPYGBO-FZDBZEDMSA-N 2 1 340.602 3.422 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244579 1389362599 /nfs/dbraw/zinc/36/25/99/1389362599.db2.gz NBHDLJMDSRHMKK-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001330244579 1389362606 /nfs/dbraw/zinc/36/26/06/1389362606.db2.gz NBHDLJMDSRHMKK-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001330244579 1389362611 /nfs/dbraw/zinc/36/26/11/1389362611.db2.gz NBHDLJMDSRHMKK-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331438490 1389748112 /nfs/dbraw/zinc/74/81/12/1389748112.db2.gz HLAAUZYBXAKSNL-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001488741663 1391713134 /nfs/dbraw/zinc/71/31/34/1391713134.db2.gz OYSPZGVCSZFUCZ-GNBUJSLZSA-N 2 1 347.547 3.233 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254537 1392639901 /nfs/dbraw/zinc/63/99/01/1392639901.db2.gz DHQNWHMFHMBNNE-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480254537 1392639908 /nfs/dbraw/zinc/63/99/08/1392639908.db2.gz DHQNWHMFHMBNNE-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480254537 1392639912 /nfs/dbraw/zinc/63/99/12/1392639912.db2.gz DHQNWHMFHMBNNE-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480258919 1392643613 /nfs/dbraw/zinc/64/36/13/1392643613.db2.gz XAXCMDPXWZHUKV-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383699 1392727745 /nfs/dbraw/zinc/72/77/45/1392727745.db2.gz QHSSWLLXRBQUNA-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383699 1392727747 /nfs/dbraw/zinc/72/77/47/1392727747.db2.gz QHSSWLLXRBQUNA-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383700 1392727862 /nfs/dbraw/zinc/72/78/62/1392727862.db2.gz QHSSWLLXRBQUNA-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383700 1392727864 /nfs/dbraw/zinc/72/78/64/1392727864.db2.gz QHSSWLLXRBQUNA-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001481359836 1394198997 /nfs/dbraw/zinc/19/89/97/1394198997.db2.gz MGYUQIOWQOZYRW-WOJBJXKFSA-N 2 1 343.515 3.227 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001481519378 1394369662 /nfs/dbraw/zinc/36/96/62/1394369662.db2.gz CUENXJOJCPPNLY-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001491214903 1394474911 /nfs/dbraw/zinc/47/49/11/1394474911.db2.gz UGBPGYQVENKTCO-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001491214903 1394474913 /nfs/dbraw/zinc/47/49/13/1394474913.db2.gz UGBPGYQVENKTCO-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001491214903 1394474914 /nfs/dbraw/zinc/47/49/14/1394474914.db2.gz UGBPGYQVENKTCO-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001482453442 1395011974 /nfs/dbraw/zinc/01/19/74/1395011974.db2.gz BGLSAESLLWHTAC-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484106402 1395254486 /nfs/dbraw/zinc/25/44/86/1395254486.db2.gz FLUGNJGCLPLGFQ-IRFCIJBXSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163890 1395298387 /nfs/dbraw/zinc/29/83/87/1395298387.db2.gz PSEZIHWZGGGRDE-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001484981270 1395621530 /nfs/dbraw/zinc/62/15/30/1395621530.db2.gz NDSUJOUHMRGNAO-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001485574752 1396043341 /nfs/dbraw/zinc/04/33/41/1396043341.db2.gz XKWAYUMEXNRAHB-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001485574752 1396043346 /nfs/dbraw/zinc/04/33/46/1396043346.db2.gz XKWAYUMEXNRAHB-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001485574752 1396043350 /nfs/dbraw/zinc/04/33/50/1396043350.db2.gz XKWAYUMEXNRAHB-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001485574752 1396043356 /nfs/dbraw/zinc/04/33/56/1396043356.db2.gz XKWAYUMEXNRAHB-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588475 1396064607 /nfs/dbraw/zinc/06/46/07/1396064607.db2.gz YZWLPMKIKCTCSO-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588475 1396064614 /nfs/dbraw/zinc/06/46/14/1396064614.db2.gz YZWLPMKIKCTCSO-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001505396360 1396284217 /nfs/dbraw/zinc/28/42/17/1396284217.db2.gz GPTJMGOJBXBQQZ-IBGZPJMESA-N 2 1 337.552 3.099 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878257 1396506279 /nfs/dbraw/zinc/50/62/79/1396506279.db2.gz XYEVPWSMJHQRSG-UYAOXDASSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878257 1396506283 /nfs/dbraw/zinc/50/62/83/1396506283.db2.gz XYEVPWSMJHQRSG-UYAOXDASSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494878257 1396506284 /nfs/dbraw/zinc/50/62/84/1396506284.db2.gz XYEVPWSMJHQRSG-UYAOXDASSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494878257 1396506286 /nfs/dbraw/zinc/50/62/86/1396506286.db2.gz XYEVPWSMJHQRSG-UYAOXDASSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001496350624 1396661069 /nfs/dbraw/zinc/66/10/69/1396661069.db2.gz ISIZKASIGBRYED-SJLPKXTDSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001691372372 1405217414 /nfs/dbraw/zinc/21/74/14/1405217414.db2.gz BVLSGHGKYFRQJF-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691681575 1405416810 /nfs/dbraw/zinc/41/68/10/1405416810.db2.gz BAKVPWQSPPDXTR-AZUAARDMSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001691998733 1405713682 /nfs/dbraw/zinc/71/36/82/1405713682.db2.gz NWHIZPCHQVWFIP-ICSRJNTNSA-N 2 1 343.515 3.036 10 30 EGEEMP 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347.547 3.282 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001732603887 1428855172 /nfs/dbraw/zinc/85/51/72/1428855172.db2.gz AEWQNQSGRUFRDY-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001732603887 1428855178 /nfs/dbraw/zinc/85/51/78/1428855178.db2.gz AEWQNQSGRUFRDY-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001732603887 1428855185 /nfs/dbraw/zinc/85/51/85/1428855185.db2.gz AEWQNQSGRUFRDY-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001707173756 1417229140 /nfs/dbraw/zinc/22/91/40/1417229140.db2.gz GGYGOKMWHXQEPE-GUDVDZBRSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707240444 1417260480 /nfs/dbraw/zinc/26/04/80/1417260480.db2.gz UCVNNUXXBVWQQE-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136245 1417718254 /nfs/dbraw/zinc/71/82/54/1417718254.db2.gz BEAKJGDFYLUXNJ-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136245 1417718256 /nfs/dbraw/zinc/71/82/56/1417718256.db2.gz BEAKJGDFYLUXNJ-UYAOXDASSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001713265372 1417873869 /nfs/dbraw/zinc/87/38/69/1417873869.db2.gz CVDYCAHIUOMBNR-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713394276 1418008972 /nfs/dbraw/zinc/00/89/72/1418008972.db2.gz SJWWDZXBHOQGER-GOSISDBHSA-N 2 1 340.471 3.145 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001713678262 1418430390 /nfs/dbraw/zinc/43/03/90/1418430390.db2.gz WPFBKLHZRUMLCW-XLIONFOSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713680438 1418432293 /nfs/dbraw/zinc/43/22/93/1418432293.db2.gz LLIDBGBZZGKKDM-QUCCMNQESA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729567 1418513030 /nfs/dbraw/zinc/51/30/30/1418513030.db2.gz YNPXEHOYJKQSSU-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713729567 1418513037 /nfs/dbraw/zinc/51/30/37/1418513037.db2.gz YNPXEHOYJKQSSU-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001713729567 1418513043 /nfs/dbraw/zinc/51/30/43/1418513043.db2.gz YNPXEHOYJKQSSU-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713897400 1418695966 /nfs/dbraw/zinc/69/59/66/1418695966.db2.gz JWHVIURNRUEDNV-IRXDYDNUSA-N 2 1 343.943 3.030 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001715160373 1419901679 /nfs/dbraw/zinc/90/16/79/1419901679.db2.gz JBBKXLCKIBIVDT-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715249106 1419975013 /nfs/dbraw/zinc/97/50/13/1419975013.db2.gz TXAGJJLUFVYNCO-HKUYNNGSSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001715443032 1420127886 /nfs/dbraw/zinc/12/78/86/1420127886.db2.gz GQWWEURFUFBERE-UXHICEINSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715456546 1420137599 /nfs/dbraw/zinc/13/75/99/1420137599.db2.gz LRPAPDBUHGBBMW-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001716052936 1420517699 /nfs/dbraw/zinc/51/76/99/1420517699.db2.gz HFZHJTBQXPVCTP-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763723 1420910289 /nfs/dbraw/zinc/91/02/89/1420910289.db2.gz GLEZVUQDSWRLAC-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001716903209 1421036457 /nfs/dbraw/zinc/03/64/57/1421036457.db2.gz ZQFODATVGFLEMN-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001716903209 1421036459 /nfs/dbraw/zinc/03/64/59/1421036459.db2.gz ZQFODATVGFLEMN-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001716903209 1421036460 /nfs/dbraw/zinc/03/64/60/1421036460.db2.gz ZQFODATVGFLEMN-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717002165 1421071751 /nfs/dbraw/zinc/07/17/51/1421071751.db2.gz MQQPKHPLPYIZLV-MUGJNUQGSA-N 2 1 349.563 3.195 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038097 1421092828 /nfs/dbraw/zinc/09/28/28/1421092828.db2.gz NOTFQOHNHQOSPU-OALUTQOASA-N 2 1 347.547 3.118 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001717312225 1421257454 /nfs/dbraw/zinc/25/74/54/1421257454.db2.gz RFYNVSQUTQPSIP-IBGZPJMESA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717368841 1421305553 /nfs/dbraw/zinc/30/55/53/1421305553.db2.gz GKZWCEXYTRAAML-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717449499 1421379892 /nfs/dbraw/zinc/37/98/92/1421379892.db2.gz HGYURVZGGKKGMJ-UHFFFAOYSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717449499 1421379895 /nfs/dbraw/zinc/37/98/95/1421379895.db2.gz HGYURVZGGKKGMJ-UHFFFAOYSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581031 1421507340 /nfs/dbraw/zinc/50/73/40/1421507340.db2.gz GVGYJKMCFGIAIZ-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581031 1421507341 /nfs/dbraw/zinc/50/73/41/1421507341.db2.gz GVGYJKMCFGIAIZ-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001724262139 1424761626 /nfs/dbraw/zinc/76/16/26/1424761626.db2.gz IUVPHAGXXFDUIK-RTWAWAEBSA-N 2 1 347.547 3.047 10 30 EGEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001724614747 1424960062 /nfs/dbraw/zinc/96/00/62/1424960062.db2.gz AVUVCXCZAVPHSK-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843822 1425193335 /nfs/dbraw/zinc/19/33/35/1425193335.db2.gz LUFBGNVEOGBPBB-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724995199 1425401497 /nfs/dbraw/zinc/40/14/97/1425401497.db2.gz OKUDQRUGEGBPNB-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001724995199 1425401498 /nfs/dbraw/zinc/40/14/98/1425401498.db2.gz OKUDQRUGEGBPNB-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001724995199 1425401499 /nfs/dbraw/zinc/40/14/99/1425401499.db2.gz OKUDQRUGEGBPNB-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737670 1426412557 /nfs/dbraw/zinc/41/25/57/1426412557.db2.gz DTMRIQHRENGTPZ-MJGOQNOKSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470736 1427450322 /nfs/dbraw/zinc/45/03/22/1427450322.db2.gz JLZNTWXMELJHHB-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001731535871 1427532383 /nfs/dbraw/zinc/53/23/83/1427532383.db2.gz JRQWQJFJQOINFK-QGZVFWFLSA-N 2 1 349.544 3.360 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001731535871 1427532388 /nfs/dbraw/zinc/53/23/88/1427532388.db2.gz JRQWQJFJQOINFK-QGZVFWFLSA-N 2 1 349.544 3.360 10 30 EGEEMP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731560485 1427594766 /nfs/dbraw/zinc/59/47/66/1427594766.db2.gz UZJZBKWKCNCUCF-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560485 1427594769 /nfs/dbraw/zinc/59/47/69/1427594769.db2.gz UZJZBKWKCNCUCF-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560485 1427594773 /nfs/dbraw/zinc/59/47/73/1427594773.db2.gz UZJZBKWKCNCUCF-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733687861 1429903365 /nfs/dbraw/zinc/90/33/65/1429903365.db2.gz VUWKKRRUTNENKY-FHWLQOOXSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001733695587 1429913820 /nfs/dbraw/zinc/91/38/20/1429913820.db2.gz ISRNQPHVBOPRLD-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001733956150 1437764301 /nfs/dbraw/zinc/76/43/01/1437764301.db2.gz VTIWDSCAHAJLTK-AFMYVXGZSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734105425 1437891665 /nfs/dbraw/zinc/89/16/65/1437891665.db2.gz FRPOELMLFFWDRL-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001734208674 1437943831 /nfs/dbraw/zinc/94/38/31/1437943831.db2.gz GPIYLSRTZKNONE-SOAMZJECSA-N 2 1 347.547 3.233 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001734587085 1438177099 /nfs/dbraw/zinc/17/70/99/1438177099.db2.gz GJZYEMCQYKZQOD-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943777 1440117000 /nfs/dbraw/zinc/11/70/00/1440117000.db2.gz AGQUHXVVKMKYNW-ZWKOTPCHSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943777 1440117001 /nfs/dbraw/zinc/11/70/01/1440117001.db2.gz AGQUHXVVKMKYNW-ZWKOTPCHSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943777 1440117002 /nfs/dbraw/zinc/11/70/02/1440117002.db2.gz AGQUHXVVKMKYNW-ZWKOTPCHSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001750946623 1440119089 /nfs/dbraw/zinc/11/90/89/1440119089.db2.gz INDQBDZQEMSDGW-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946623 1440119090 /nfs/dbraw/zinc/11/90/90/1440119090.db2.gz INDQBDZQEMSDGW-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946623 1440119091 /nfs/dbraw/zinc/11/90/91/1440119091.db2.gz INDQBDZQEMSDGW-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358437172 299290201 /nfs/dbraw/zinc/29/02/01/299290201.db2.gz FCOZGADXCQSELV-XHSDSOJGSA-N 2 1 333.451 3.237 10 30 EGEEMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668329 252121222 /nfs/dbraw/zinc/12/12/22/252121222.db2.gz JTXLANGLJJZKTD-FPOVZHCZSA-N 2 1 341.499 3.180 10 30 EGEEMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668329 252121226 /nfs/dbraw/zinc/12/12/26/252121226.db2.gz JTXLANGLJJZKTD-FPOVZHCZSA-N 2 1 341.499 3.180 10 30 EGEEMP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897770 455723518 /nfs/dbraw/zinc/72/35/18/455723518.db2.gz QDHCOLFUCIMKIM-RXVVDRJESA-N 2 1 327.516 3.137 10 30 EGEEMP C=CCN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897770 455723524 /nfs/dbraw/zinc/72/35/24/455723524.db2.gz QDHCOLFUCIMKIM-RXVVDRJESA-N 2 1 327.516 3.137 10 30 EGEEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176093 460039294 /nfs/dbraw/zinc/03/92/94/460039294.db2.gz BDTMHCMPMONXTH-AQNXPRMDSA-N 2 1 341.499 3.171 10 30 EGEEMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1)CC1CC1 ZINC000611303653 460333665 /nfs/dbraw/zinc/33/36/65/460333665.db2.gz GDHHDZFQOCHNGR-UHFFFAOYSA-N 2 1 326.488 3.287 10 30 EGEEMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293113 461170034 /nfs/dbraw/zinc/17/00/34/461170034.db2.gz JXFYGGWOHOMNTF-IBGZPJMESA-N 2 1 343.515 3.185 10 30 EGEEMP C=CC[C@]1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC[NH2+]1 ZINC000662749648 461363806 /nfs/dbraw/zinc/36/38/06/461363806.db2.gz GJFJJCIJDGMXPL-FOIQADDNSA-N 2 1 338.455 3.056 10 30 EGEEMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000708525909 1298239335 /nfs/dbraw/zinc/23/93/35/1298239335.db2.gz CNWMHUWGIYRHAB-UWJYYQICSA-N 2 1 349.478 3.425 10 30 EGEEMP C[C@H](C#N)Oc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222378 1328714563 /nfs/dbraw/zinc/71/45/63/1328714563.db2.gz UFCSYYNSBYEINU-APWZRJJASA-N 2 1 327.472 3.474 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940781263 1331191280 /nfs/dbraw/zinc/19/12/80/1331191280.db2.gz YQXRKTPUMNCWGF-MRXNPFEDSA-N 2 1 349.544 3.216 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973096 1331281968 /nfs/dbraw/zinc/28/19/68/1331281968.db2.gz RPEZREZYSABICL-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973096 1331281971 /nfs/dbraw/zinc/28/19/71/1331281971.db2.gz RPEZREZYSABICL-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973096 1331281974 /nfs/dbraw/zinc/28/19/74/1331281974.db2.gz RPEZREZYSABICL-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075494 1331322134 /nfs/dbraw/zinc/32/21/34/1331322134.db2.gz NCBHYBTULKTYBI-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075948 1331322605 /nfs/dbraw/zinc/32/26/05/1331322605.db2.gz RKCDHQRTAVWQTR-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075948 1331322609 /nfs/dbraw/zinc/32/26/09/1331322609.db2.gz RKCDHQRTAVWQTR-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075948 1331322612 /nfs/dbraw/zinc/32/26/12/1331322612.db2.gz RKCDHQRTAVWQTR-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001323817100 1387467491 /nfs/dbraw/zinc/46/74/91/1387467491.db2.gz WTFMQEAHSAAOEI-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817100 1387467492 /nfs/dbraw/zinc/46/74/92/1387467492.db2.gz WTFMQEAHSAAOEI-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817100 1387467493 /nfs/dbraw/zinc/46/74/93/1387467493.db2.gz WTFMQEAHSAAOEI-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001324775053 1387768396 /nfs/dbraw/zinc/76/83/96/1387768396.db2.gz GXKJOVXNZNRXPU-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001324870513 1387798277 /nfs/dbraw/zinc/79/82/77/1387798277.db2.gz YUCJDDOSAZCDSQ-IBGZPJMESA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001324905384 1387814674 /nfs/dbraw/zinc/81/46/74/1387814674.db2.gz SRNNJIHSLRVQTN-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001325529356 1387998070 /nfs/dbraw/zinc/99/80/70/1387998070.db2.gz DOPCJWAAGHJRIK-ROUUACIJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001326287061 1388142902 /nfs/dbraw/zinc/14/29/02/1388142902.db2.gz LGFAHSXWJQIVNY-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001282675072 1378544832 /nfs/dbraw/zinc/54/48/32/1378544832.db2.gz JPLVRNGHDONVBI-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695944 1388584884 /nfs/dbraw/zinc/58/48/84/1388584884.db2.gz MAODISVRFXAVCN-OXQOHEQNSA-N 2 1 343.515 3.313 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001284067820 1379425739 /nfs/dbraw/zinc/42/57/39/1379425739.db2.gz CGMHLWJWNYAXEI-CMKODMSKSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001284067820 1379425741 /nfs/dbraw/zinc/42/57/41/1379425741.db2.gz CGMHLWJWNYAXEI-CMKODMSKSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001284067820 1379425745 /nfs/dbraw/zinc/42/57/45/1379425745.db2.gz CGMHLWJWNYAXEI-CMKODMSKSA-N 2 1 335.536 3.022 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101023 1388672629 /nfs/dbraw/zinc/67/26/29/1388672629.db2.gz DHEHQPKJIYBXFN-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101023 1388672630 /nfs/dbraw/zinc/67/26/30/1388672630.db2.gz DHEHQPKJIYBXFN-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101023 1388672633 /nfs/dbraw/zinc/67/26/33/1388672633.db2.gz DHEHQPKJIYBXFN-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001328754032 1388846492 /nfs/dbraw/zinc/84/64/92/1388846492.db2.gz YUJLWDHXGNJFFH-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001328754032 1388846493 /nfs/dbraw/zinc/84/64/93/1388846493.db2.gz YUJLWDHXGNJFFH-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001328754032 1388846498 /nfs/dbraw/zinc/84/64/98/1388846498.db2.gz YUJLWDHXGNJFFH-SLFFLAALSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797074 1388868705 /nfs/dbraw/zinc/86/87/05/1388868705.db2.gz LOEDAOWTKBQOLN-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001316775868 1384574668 /nfs/dbraw/zinc/57/46/68/1384574668.db2.gz UIPYSQLZFGIKAA-PMACEKPBSA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001317047679 1384823781 /nfs/dbraw/zinc/82/37/81/1384823781.db2.gz CJWSCAINLDYAKH-KDURUIRLSA-N 2 1 347.547 3.260 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317301022 1385069551 /nfs/dbraw/zinc/06/95/51/1385069551.db2.gz PWRLFIAXOPNNNI-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001317679214 1385387102 /nfs/dbraw/zinc/38/71/02/1385387102.db2.gz HTODSRDJFZCSME-QGZVFWFLSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001319141513 1385975397 /nfs/dbraw/zinc/97/53/97/1385975397.db2.gz DMBDXIVYKLRNNR-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001319141513 1385975400 /nfs/dbraw/zinc/97/54/00/1385975400.db2.gz DMBDXIVYKLRNNR-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001319141513 1385975406 /nfs/dbraw/zinc/97/54/06/1385975406.db2.gz DMBDXIVYKLRNNR-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001319915111 1386387340 /nfs/dbraw/zinc/38/73/40/1386387340.db2.gz HYNJFMGAVVZYJY-UYAOXDASSA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001698704691 1406346685 /nfs/dbraw/zinc/34/66/85/1406346685.db2.gz XTZDCZFLBIJWPK-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001329256477 1389037816 /nfs/dbraw/zinc/03/78/16/1389037816.db2.gz GOUGEAFOYZSZCP-MHJFOBGBSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264465 1389372565 /nfs/dbraw/zinc/37/25/65/1389372565.db2.gz YIOANCHMLPXIFN-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331440312 1389749697 /nfs/dbraw/zinc/74/96/97/1389749697.db2.gz RUUOPFGIXAPTCV-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001479695841 1392326852 /nfs/dbraw/zinc/32/68/52/1392326852.db2.gz OZYMCPFEMJUTRZ-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126094 1393126650 /nfs/dbraw/zinc/12/66/50/1393126650.db2.gz HTYKWQZOPVCKHT-MJGOQNOKSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001490411223 1394218498 /nfs/dbraw/zinc/21/84/98/1394218498.db2.gz QJERQCVLQOVODH-UHFFFAOYSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454782 1394232759 /nfs/dbraw/zinc/23/27/59/1394232759.db2.gz LCLINACAEKFPJI-YLJYHZDGSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001490597297 1394278786 /nfs/dbraw/zinc/27/87/86/1394278786.db2.gz OYTVNMPAFPJFFU-OALUTQOASA-N 2 1 349.563 3.412 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434817 1394290373 /nfs/dbraw/zinc/29/03/73/1394290373.db2.gz FGXVVPBQCPYYBG-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481434817 1394290375 /nfs/dbraw/zinc/29/03/75/1394290375.db2.gz FGXVVPBQCPYYBG-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481434817 1394290377 /nfs/dbraw/zinc/29/03/77/1394290377.db2.gz FGXVVPBQCPYYBG-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484715826 1395475885 /nfs/dbraw/zinc/47/58/85/1395475885.db2.gz XSKPWHBZWMTTGO-KRWDZBQOSA-N 2 1 349.544 3.360 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585392 1396062446 /nfs/dbraw/zinc/06/24/46/1396062446.db2.gz LWWNVOMZTMAKQH-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001485666725 1396095832 /nfs/dbraw/zinc/09/58/32/1396095832.db2.gz QYBCZAAJJVHATA-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001486238980 1396187228 /nfs/dbraw/zinc/18/72/28/1396187228.db2.gz SVPVTECWBKAYOO-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001486238981 1396187243 /nfs/dbraw/zinc/18/72/43/1396187243.db2.gz SVPVTECWBKAYOO-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001505401285 1396289372 /nfs/dbraw/zinc/28/93/72/1396289372.db2.gz XNTZDIPVQRJSAG-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491958285 1396300704 /nfs/dbraw/zinc/30/07/04/1396300704.db2.gz CAVXKYFLQFWVDT-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958285 1396300705 /nfs/dbraw/zinc/30/07/05/1396300705.db2.gz CAVXKYFLQFWVDT-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958285 1396300706 /nfs/dbraw/zinc/30/07/06/1396300706.db2.gz CAVXKYFLQFWVDT-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001699008407 1406833834 /nfs/dbraw/zinc/83/38/34/1406833834.db2.gz IVNXSDPAHPLLNL-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001690151976 1404351839 /nfs/dbraw/zinc/35/18/39/1404351839.db2.gz WWKQODHMMOWSCS-ICSRJNTNSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001690450445 1404575652 /nfs/dbraw/zinc/57/56/52/1404575652.db2.gz JQASJQFPWMLFIB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001690450445 1404575657 /nfs/dbraw/zinc/57/56/57/1404575657.db2.gz JQASJQFPWMLFIB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001690450445 1404575659 /nfs/dbraw/zinc/57/56/59/1404575659.db2.gz JQASJQFPWMLFIB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501617 1404615045 /nfs/dbraw/zinc/61/50/45/1404615045.db2.gz NJLXDIFZXLXAPH-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690501617 1404615038 /nfs/dbraw/zinc/61/50/38/1404615038.db2.gz NJLXDIFZXLXAPH-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501617 1404615046 /nfs/dbraw/zinc/61/50/46/1404615046.db2.gz NJLXDIFZXLXAPH-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504443 1404616844 /nfs/dbraw/zinc/61/68/44/1404616844.db2.gz DINOUAPUPSWBJK-RTBURBONSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725748823 1426427033 /nfs/dbraw/zinc/42/70/33/1426427033.db2.gz DBUBCBOIDVSPRR-ZWKOTPCHSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691434874 1405268133 /nfs/dbraw/zinc/26/81/33/1405268133.db2.gz SKKGBEIMHHWTOF-RLLQIKCJSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813972 1405527559 /nfs/dbraw/zinc/52/75/59/1405527559.db2.gz OTXKIXYEMKVQLT-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813972 1405527561 /nfs/dbraw/zinc/52/75/61/1405527561.db2.gz OTXKIXYEMKVQLT-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813972 1405527564 /nfs/dbraw/zinc/52/75/64/1405527564.db2.gz OTXKIXYEMKVQLT-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001699487468 1412883842 /nfs/dbraw/zinc/88/38/42/1412883842.db2.gz SZLFMBOVJZQDPF-QZTJIDSGSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699875207 1413330459 /nfs/dbraw/zinc/33/04/59/1413330459.db2.gz SXTGDVQJDPWLEA-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699875207 1413330465 /nfs/dbraw/zinc/33/04/65/1413330465.db2.gz SXTGDVQJDPWLEA-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699875207 1413330468 /nfs/dbraw/zinc/33/04/68/1413330468.db2.gz SXTGDVQJDPWLEA-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001700253000 1413701762 /nfs/dbraw/zinc/70/17/62/1413701762.db2.gz LZZROTOOPJEOJQ-UHFFFAOYSA-N 2 1 341.499 3.071 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001700253124 1413702173 /nfs/dbraw/zinc/70/21/73/1413702173.db2.gz ZDYQOFUBIPRKSI-QGZVFWFLSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700692581 1414345552 /nfs/dbraw/zinc/34/55/52/1414345552.db2.gz JIXOBKLJZGGMSX-MJGOQNOKSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692581 1414345557 /nfs/dbraw/zinc/34/55/57/1414345557.db2.gz JIXOBKLJZGGMSX-MJGOQNOKSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692581 1414345561 /nfs/dbraw/zinc/34/55/61/1414345561.db2.gz JIXOBKLJZGGMSX-MJGOQNOKSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001712999934 1417553246 /nfs/dbraw/zinc/55/32/46/1417553246.db2.gz PDXDUKOISRJDOM-QZTJIDSGSA-N 2 1 337.552 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713216243 1417792262 /nfs/dbraw/zinc/79/22/62/1417792262.db2.gz BPDBCCKWDGQZFG-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713216243 1417792263 /nfs/dbraw/zinc/79/22/63/1417792263.db2.gz BPDBCCKWDGQZFG-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713216243 1417792264 /nfs/dbraw/zinc/79/22/64/1417792264.db2.gz BPDBCCKWDGQZFG-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899851 1418699389 /nfs/dbraw/zinc/69/93/89/1418699389.db2.gz KTQNUEAUHNRLLP-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180844 1429282615 /nfs/dbraw/zinc/28/26/15/1429282615.db2.gz MIQJJEGDIBLKHQ-PMACEKPBSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001733201835 1429306310 /nfs/dbraw/zinc/30/63/10/1429306310.db2.gz QNEMYXMXSQNWBW-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714448466 1419180943 /nfs/dbraw/zinc/18/09/43/1419180943.db2.gz KDQKEEUSJGWYFH-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714448466 1419180944 /nfs/dbraw/zinc/18/09/44/1419180944.db2.gz KDQKEEUSJGWYFH-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714448466 1419180946 /nfs/dbraw/zinc/18/09/46/1419180946.db2.gz KDQKEEUSJGWYFH-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC001714972917 1419707514 /nfs/dbraw/zinc/70/75/14/1419707514.db2.gz AJUXQRMEEHJCDD-VQTJNVASSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715048706 1419789645 /nfs/dbraw/zinc/78/96/45/1419789645.db2.gz XOIWIDPDKOZOCO-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715249110 1419974928 /nfs/dbraw/zinc/97/49/28/1419974928.db2.gz TXAGJJLUFVYNCO-IEBWSBKVSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715480226 1420158879 /nfs/dbraw/zinc/15/88/79/1420158879.db2.gz WTQPMRNXOQECCS-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001716715216 1420870654 /nfs/dbraw/zinc/87/06/54/1420870654.db2.gz PGDOGXMRCUAXIL-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001716715216 1420870657 /nfs/dbraw/zinc/87/06/57/1420870657.db2.gz PGDOGXMRCUAXIL-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001716715216 1420870659 /nfs/dbraw/zinc/87/06/59/1420870659.db2.gz PGDOGXMRCUAXIL-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001716724371 1420882537 /nfs/dbraw/zinc/88/25/37/1420882537.db2.gz DJOCTOVDHJMFPQ-PZJWPPBQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724371 1420882541 /nfs/dbraw/zinc/88/25/41/1420882541.db2.gz DJOCTOVDHJMFPQ-PZJWPPBQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724371 1420882545 /nfs/dbraw/zinc/88/25/45/1420882545.db2.gz DJOCTOVDHJMFPQ-PZJWPPBQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001716724369 1420882988 /nfs/dbraw/zinc/88/29/88/1420882988.db2.gz DJOCTOVDHJMFPQ-CTNGQTDRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724369 1420882990 /nfs/dbraw/zinc/88/29/90/1420882990.db2.gz DJOCTOVDHJMFPQ-CTNGQTDRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724369 1420882993 /nfs/dbraw/zinc/88/29/93/1420882993.db2.gz DJOCTOVDHJMFPQ-CTNGQTDRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716734328 1420892864 /nfs/dbraw/zinc/89/28/64/1420892864.db2.gz RUESWUAAEPAGGF-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCCC1 ZINC001733278538 1429446680 /nfs/dbraw/zinc/44/66/80/1429446680.db2.gz SMPKAQBMIWKTGG-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CCCCCC1 ZINC001733278538 1429446685 /nfs/dbraw/zinc/44/66/85/1429446685.db2.gz SMPKAQBMIWKTGG-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CCCCCC1 ZINC001733278538 1429446688 /nfs/dbraw/zinc/44/66/88/1429446688.db2.gz SMPKAQBMIWKTGG-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001716871855 1420999057 /nfs/dbraw/zinc/99/90/57/1420999057.db2.gz WZGHYJKQISOVHA-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001716895885 1421023127 /nfs/dbraw/zinc/02/31/27/1421023127.db2.gz NKCYIFYXGOVMJH-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001716895885 1421023130 /nfs/dbraw/zinc/02/31/30/1421023130.db2.gz NKCYIFYXGOVMJH-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001716895885 1421023132 /nfs/dbraw/zinc/02/31/32/1421023132.db2.gz NKCYIFYXGOVMJH-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717198229 1421164760 /nfs/dbraw/zinc/16/47/60/1421164760.db2.gz NSXGTEMKUVAXPO-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198229 1421164761 /nfs/dbraw/zinc/16/47/61/1421164761.db2.gz NSXGTEMKUVAXPO-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198229 1421164762 /nfs/dbraw/zinc/16/47/62/1421164762.db2.gz NSXGTEMKUVAXPO-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001733287694 1429463247 /nfs/dbraw/zinc/46/32/47/1429463247.db2.gz RJGQLMWMJRQRMS-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287694 1429463251 /nfs/dbraw/zinc/46/32/51/1429463251.db2.gz RJGQLMWMJRQRMS-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287694 1429463255 /nfs/dbraw/zinc/46/32/55/1429463255.db2.gz RJGQLMWMJRQRMS-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001717454005 1421383246 /nfs/dbraw/zinc/38/32/46/1421383246.db2.gz LNZLPWDFSNHXIC-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001717964814 1421736656 /nfs/dbraw/zinc/73/66/56/1421736656.db2.gz DZLAKXWAUWUGGH-ROUUACIJSA-N 2 1 337.552 3.195 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717980048 1421751214 /nfs/dbraw/zinc/75/12/14/1421751214.db2.gz SVABXJHMOQASOK-UYAOXDASSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733457409 1429676554 /nfs/dbraw/zinc/67/65/54/1429676554.db2.gz CUQDVMVAZQSOSX-OAQYLSRUSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723720301 1424546292 /nfs/dbraw/zinc/54/62/92/1424546292.db2.gz YKUUHFANZVBZQO-HXUWFJFHSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001724644596 1424996781 /nfs/dbraw/zinc/99/67/81/1424996781.db2.gz BCLBTLVSFMKHER-VAMGGRTRSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001724644596 1424996785 /nfs/dbraw/zinc/99/67/85/1424996785.db2.gz BCLBTLVSFMKHER-VAMGGRTRSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001724644596 1424996791 /nfs/dbraw/zinc/99/67/91/1424996791.db2.gz BCLBTLVSFMKHER-VAMGGRTRSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC001724750671 1425120730 /nfs/dbraw/zinc/12/07/30/1425120730.db2.gz ULNUIWSCLPYNCQ-INIZCTEOSA-N 2 1 340.471 3.160 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286447 1425926021 /nfs/dbraw/zinc/92/60/21/1425926021.db2.gz RISMXTRFOWGZRW-IPMKNSEASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286447 1425926027 /nfs/dbraw/zinc/92/60/27/1425926027.db2.gz RISMXTRFOWGZRW-IPMKNSEASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286447 1425926032 /nfs/dbraw/zinc/92/60/32/1425926032.db2.gz RISMXTRFOWGZRW-IPMKNSEASA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001725788205 1426474319 /nfs/dbraw/zinc/47/43/19/1426474319.db2.gz YJZPAPRWHSDAQB-QLOJAFMTSA-N 2 1 335.536 3.022 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731499903 1427479511 /nfs/dbraw/zinc/47/95/11/1427479511.db2.gz AMZWHBXCZQJENY-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731499903 1427479514 /nfs/dbraw/zinc/47/95/14/1427479514.db2.gz AMZWHBXCZQJENY-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731499903 1427479517 /nfs/dbraw/zinc/47/95/17/1427479517.db2.gz AMZWHBXCZQJENY-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731503321 1427485844 /nfs/dbraw/zinc/48/58/44/1427485844.db2.gz LKCSUCMRBJMVRG-UYAOXDASSA-N 2 1 349.563 3.127 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733598986 1429799246 /nfs/dbraw/zinc/79/92/46/1429799246.db2.gz BDLLWOBQOWZPGM-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733598986 1429799247 /nfs/dbraw/zinc/79/92/47/1429799247.db2.gz BDLLWOBQOWZPGM-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943807 1440117440 /nfs/dbraw/zinc/11/74/40/1440117440.db2.gz HEXRZOKPCNWCNM-HKUYNNGSSA-N 2 1 349.563 3.290 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@H]2CCC[C@H]21 ZINC000367616022 168249818 /nfs/dbraw/zinc/24/98/18/168249818.db2.gz MXKIYEHVKCBFKP-CEXWTWQISA-N 2 1 329.513 3.254 10 30 EGEEMP Clc1ccccc1C#CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000135114442 454635727 /nfs/dbraw/zinc/63/57/27/454635727.db2.gz GKSZPJKRIMACKB-UHFFFAOYSA-N 2 1 346.902 3.268 10 30 EGEEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124726 457467310 /nfs/dbraw/zinc/46/73/10/457467310.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 1 325.378 3.492 10 30 EGEEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124726 457467318 /nfs/dbraw/zinc/46/73/18/457467318.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 1 325.378 3.492 10 30 EGEEMP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000592488137 459612329 /nfs/dbraw/zinc/61/23/29/459612329.db2.gz FXDSOABYURPBEB-PZJWPPBQSA-N 2 1 334.467 3.125 10 30 EGEEMP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000592488137 459612334 /nfs/dbraw/zinc/61/23/34/459612334.db2.gz FXDSOABYURPBEB-PZJWPPBQSA-N 2 1 334.467 3.125 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722612 461913938 /nfs/dbraw/zinc/91/39/38/461913938.db2.gz XWZKIDQILNTTOM-DFQSSKMNSA-N 2 1 330.472 3.112 10 30 EGEEMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000651758672 462327257 /nfs/dbraw/zinc/32/72/57/462327257.db2.gz JNAMPMMZTCNBEV-DUXKGJEZSA-N 2 1 328.500 3.478 10 30 EGEEMP C=CCN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486683 /nfs/dbraw/zinc/48/66/83/1303486683.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 2 1 339.527 3.280 10 30 EGEEMP C=CC[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486686 /nfs/dbraw/zinc/48/66/86/1303486686.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 2 1 339.527 3.280 10 30 EGEEMP C=CC[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486687 /nfs/dbraw/zinc/48/66/87/1303486687.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 2 1 339.527 3.280 10 30 EGEEMP C#C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332896 1309286256 /nfs/dbraw/zinc/28/62/56/1309286256.db2.gz QVXGYHDNGNWCKU-WSWWRLHASA-N 2 1 338.495 3.058 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737020 1331173465 /nfs/dbraw/zinc/17/34/65/1331173465.db2.gz MCFNMGMKCDQPMT-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737020 1331173467 /nfs/dbraw/zinc/17/34/67/1331173467.db2.gz MCFNMGMKCDQPMT-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737020 1331173470 /nfs/dbraw/zinc/17/34/70/1331173470.db2.gz MCFNMGMKCDQPMT-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076273 1331321977 /nfs/dbraw/zinc/32/19/77/1331321977.db2.gz VCGCCUWWUACIOB-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871176 1387483284 /nfs/dbraw/zinc/48/32/84/1387483284.db2.gz ARYIOGYXIVIWHP-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001282667666 1378541102 /nfs/dbraw/zinc/54/11/02/1378541102.db2.gz ZCCLVMNDEAZCOH-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001282667666 1378541108 /nfs/dbraw/zinc/54/11/08/1378541108.db2.gz ZCCLVMNDEAZCOH-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001282667666 1378541112 /nfs/dbraw/zinc/54/11/12/1378541112.db2.gz ZCCLVMNDEAZCOH-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001283335149 1378818389 /nfs/dbraw/zinc/81/83/89/1378818389.db2.gz RGTHWHCNTKIVEG-QGZVFWFLSA-N 2 1 346.519 3.249 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001283335149 1378818392 /nfs/dbraw/zinc/81/83/92/1378818392.db2.gz RGTHWHCNTKIVEG-QGZVFWFLSA-N 2 1 346.519 3.249 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328268161 1388706059 /nfs/dbraw/zinc/70/60/59/1388706059.db2.gz RYRKRFBQSRKZBP-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328268161 1388706069 /nfs/dbraw/zinc/70/60/69/1388706069.db2.gz RYRKRFBQSRKZBP-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328268161 1388706076 /nfs/dbraw/zinc/70/60/76/1388706076.db2.gz RYRKRFBQSRKZBP-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001328469008 1388756060 /nfs/dbraw/zinc/75/60/60/1388756060.db2.gz NVADWCFKVVCTPP-PMACEKPBSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001328469008 1388756065 /nfs/dbraw/zinc/75/60/65/1388756065.db2.gz NVADWCFKVVCTPP-PMACEKPBSA-N 2 1 343.515 3.008 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106030 1384870524 /nfs/dbraw/zinc/87/05/24/1384870524.db2.gz QCOVSRDAIDPKJK-RTBURBONSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317131812 1384890803 /nfs/dbraw/zinc/89/08/03/1384890803.db2.gz NELKNAVEUIQORW-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524722 1385243808 /nfs/dbraw/zinc/24/38/08/1385243808.db2.gz BIWCEGJIPTXNDK-DOTOQJQBSA-N 2 1 340.471 3.049 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001317880058 1385557768 /nfs/dbraw/zinc/55/77/68/1385557768.db2.gz PMEPIKAVCUAORU-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001318742190 1385848654 /nfs/dbraw/zinc/84/86/54/1385848654.db2.gz AMRJDYWGMLKJTD-PXNSSMCTSA-N 2 1 337.552 3.195 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651954 1386234611 /nfs/dbraw/zinc/23/46/11/1386234611.db2.gz SGPPBQHNFVKXIA-RTBURBONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001329229927 1389028294 /nfs/dbraw/zinc/02/82/94/1389028294.db2.gz DIHMFYSWMBNONL-ACBHZAAOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001329229928 1389028425 /nfs/dbraw/zinc/02/84/25/1389028425.db2.gz DIHMFYSWMBNONL-CTWPCTMYSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935279 1389262562 /nfs/dbraw/zinc/26/25/62/1389262562.db2.gz ARGFCRDWALRLJS-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935279 1389262565 /nfs/dbraw/zinc/26/25/65/1389262565.db2.gz ARGFCRDWALRLJS-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331438491 1389748209 /nfs/dbraw/zinc/74/82/09/1389748209.db2.gz HLAAUZYBXAKSNL-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001332740414 1390177298 /nfs/dbraw/zinc/17/72/98/1390177298.db2.gz JUMIQOFJTAKTNI-UHFFFAOYSA-N 2 1 331.504 3.107 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383701 1392727486 /nfs/dbraw/zinc/72/74/86/1392727486.db2.gz QHSSWLLXRBQUNA-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480383701 1392727490 /nfs/dbraw/zinc/72/74/90/1392727490.db2.gz QHSSWLLXRBQUNA-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480825949 1392963317 /nfs/dbraw/zinc/96/33/17/1392963317.db2.gz LBUVKRQGPLQTTC-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480825949 1392963322 /nfs/dbraw/zinc/96/33/22/1392963322.db2.gz LBUVKRQGPLQTTC-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480825949 1392963328 /nfs/dbraw/zinc/96/33/28/1392963328.db2.gz LBUVKRQGPLQTTC-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481515904 1394365348 /nfs/dbraw/zinc/36/53/48/1394365348.db2.gz HDBPTAUDMIAPHJ-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001481515904 1394365350 /nfs/dbraw/zinc/36/53/50/1394365350.db2.gz HDBPTAUDMIAPHJ-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001481515904 1394365359 /nfs/dbraw/zinc/36/53/59/1394365359.db2.gz HDBPTAUDMIAPHJ-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132100 1394445643 /nfs/dbraw/zinc/44/56/43/1394445643.db2.gz BJBTZCPWYJZSNJ-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132100 1394445646 /nfs/dbraw/zinc/44/56/46/1394445646.db2.gz BJBTZCPWYJZSNJ-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001698954325 1406699487 /nfs/dbraw/zinc/69/94/87/1406699487.db2.gz RTXARZICPXQLCE-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001698954325 1406699488 /nfs/dbraw/zinc/69/94/88/1406699488.db2.gz RTXARZICPXQLCE-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001698954325 1406699490 /nfs/dbraw/zinc/69/94/90/1406699490.db2.gz RTXARZICPXQLCE-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001482044337 1394706421 /nfs/dbraw/zinc/70/64/21/1394706421.db2.gz SZCABYARWLZPDQ-HXUWFJFHSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484466761 1395403994 /nfs/dbraw/zinc/40/39/94/1395403994.db2.gz WBCXIILBUIZLBJ-VAMGGRTRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484466761 1395403997 /nfs/dbraw/zinc/40/39/97/1395403997.db2.gz WBCXIILBUIZLBJ-VAMGGRTRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484466761 1395404009 /nfs/dbraw/zinc/40/40/09/1395404009.db2.gz WBCXIILBUIZLBJ-VAMGGRTRSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001485436683 1395904296 /nfs/dbraw/zinc/90/42/96/1395904296.db2.gz HRQCZLWMSTXBGI-PMACEKPBSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588473 1396064856 /nfs/dbraw/zinc/06/48/56/1396064856.db2.gz YZWLPMKIKCTCSO-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588473 1396064862 /nfs/dbraw/zinc/06/48/62/1396064862.db2.gz YZWLPMKIKCTCSO-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485784972 1396153299 /nfs/dbraw/zinc/15/32/99/1396153299.db2.gz JKNKOMDVSKILEU-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001499566757 1396184265 /nfs/dbraw/zinc/18/42/65/1396184265.db2.gz GSUFINUQKFLEMA-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001499566757 1396184267 /nfs/dbraw/zinc/18/42/67/1396184267.db2.gz GSUFINUQKFLEMA-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001499566757 1396184269 /nfs/dbraw/zinc/18/42/69/1396184269.db2.gz GSUFINUQKFLEMA-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193482 1404400186 /nfs/dbraw/zinc/40/01/86/1404400186.db2.gz ZVMAVELBLOZUNN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690193482 1404400188 /nfs/dbraw/zinc/40/01/88/1404400188.db2.gz ZVMAVELBLOZUNN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690193482 1404400191 /nfs/dbraw/zinc/40/01/91/1404400191.db2.gz ZVMAVELBLOZUNN-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001690448667 1404572660 /nfs/dbraw/zinc/57/26/60/1404572660.db2.gz OLSAQLRTBXVHGU-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001690448667 1404572664 /nfs/dbraw/zinc/57/26/64/1404572664.db2.gz OLSAQLRTBXVHGU-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001690448667 1404572667 /nfs/dbraw/zinc/57/26/67/1404572667.db2.gz OLSAQLRTBXVHGU-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001690448667 1404572672 /nfs/dbraw/zinc/57/26/72/1404572672.db2.gz OLSAQLRTBXVHGU-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001690477243 1404598165 /nfs/dbraw/zinc/59/81/65/1404598165.db2.gz FQVXQICTLYWHSG-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690919104 1404829989 /nfs/dbraw/zinc/82/99/89/1404829989.db2.gz CQDSBGFVVKWWSM-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690919104 1404829992 /nfs/dbraw/zinc/82/99/92/1404829992.db2.gz CQDSBGFVVKWWSM-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691153827 1405087351 /nfs/dbraw/zinc/08/73/51/1405087351.db2.gz FEGBBSGRCNMZPA-OTWHNJEPSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691153827 1405087356 /nfs/dbraw/zinc/08/73/56/1405087356.db2.gz FEGBBSGRCNMZPA-OTWHNJEPSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691153827 1405087358 /nfs/dbraw/zinc/08/73/58/1405087358.db2.gz FEGBBSGRCNMZPA-OTWHNJEPSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163371 1405099272 /nfs/dbraw/zinc/09/92/72/1405099272.db2.gz UVVNHCQSLNTQPQ-PKOBYXMFSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001691998512 1405713580 /nfs/dbraw/zinc/71/35/80/1405713580.db2.gz MSPDZDYAELEUAS-KRWDZBQOSA-N 2 1 347.503 3.091 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001691998514 1405713796 /nfs/dbraw/zinc/71/37/96/1405713796.db2.gz MSPDZDYAELEUAS-QGZVFWFLSA-N 2 1 347.503 3.091 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001692030437 1405747760 /nfs/dbraw/zinc/74/77/60/1405747760.db2.gz RBTFHQZULASKLP-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732038775 1428263745 /nfs/dbraw/zinc/26/37/45/1428263745.db2.gz LBBNHBGMSLTKFN-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001732321578 1428531197 /nfs/dbraw/zinc/53/11/97/1428531197.db2.gz MDUOAVQPCODRLU-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001732322105 1428531386 /nfs/dbraw/zinc/53/13/86/1428531386.db2.gz YWYPMLVYKZQFOB-QGZVFWFLSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001699683726 1413079133 /nfs/dbraw/zinc/07/91/33/1413079133.db2.gz QSJFNWWTUZZDQZ-UHFFFAOYSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001699755722 1413162529 /nfs/dbraw/zinc/16/25/29/1413162529.db2.gz TZHGKDUIEYYPPK-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001699857575 1413289295 /nfs/dbraw/zinc/28/92/95/1413289295.db2.gz GEWSNEMPRKQYQS-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699857582 1413289347 /nfs/dbraw/zinc/28/93/47/1413289347.db2.gz GEWSNEMPRKQYQS-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732546478 1428723093 /nfs/dbraw/zinc/72/30/93/1428723093.db2.gz DWIVOEIXDZPFDW-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732546478 1428723098 /nfs/dbraw/zinc/72/30/98/1428723098.db2.gz DWIVOEIXDZPFDW-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732546478 1428723104 /nfs/dbraw/zinc/72/31/04/1428723104.db2.gz DWIVOEIXDZPFDW-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700290467 1413741232 /nfs/dbraw/zinc/74/12/32/1413741232.db2.gz OJYZMJSCXMKERM-QZTJIDSGSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001700290467 1413741234 /nfs/dbraw/zinc/74/12/34/1413741234.db2.gz OJYZMJSCXMKERM-QZTJIDSGSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001700290467 1413741237 /nfs/dbraw/zinc/74/12/37/1413741237.db2.gz OJYZMJSCXMKERM-QZTJIDSGSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700529217 1414195139 /nfs/dbraw/zinc/19/51/39/1414195139.db2.gz RBJBGINXQWCCPM-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001732893794 1429031535 /nfs/dbraw/zinc/03/15/35/1429031535.db2.gz WUQBMMGDLJWALY-GHOSXJJBSA-N 2 1 333.520 3.012 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001712966381 1417520352 /nfs/dbraw/zinc/52/03/52/1417520352.db2.gz CGBJGDPUBOZRBN-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001712966381 1417520354 /nfs/dbraw/zinc/52/03/54/1417520354.db2.gz CGBJGDPUBOZRBN-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001712966381 1417520357 /nfs/dbraw/zinc/52/03/57/1417520357.db2.gz CGBJGDPUBOZRBN-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001712999061 1417551444 /nfs/dbraw/zinc/55/14/44/1417551444.db2.gz JPNOJVJOIBGBOW-MJGOQNOKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001712999058 1417551484 /nfs/dbraw/zinc/55/14/84/1417551484.db2.gz JPNOJVJOIBGBOW-HKUYNNGSSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713096694 1417646351 /nfs/dbraw/zinc/64/63/51/1417646351.db2.gz DOFFHKDOUIMAHU-RBUKOAKNSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713531909 1418280568 /nfs/dbraw/zinc/28/05/68/1418280568.db2.gz JRCJSLKZPUNUDQ-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713531909 1418280571 /nfs/dbraw/zinc/28/05/71/1418280571.db2.gz JRCJSLKZPUNUDQ-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713531909 1418280572 /nfs/dbraw/zinc/28/05/72/1418280572.db2.gz JRCJSLKZPUNUDQ-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047149 1418843092 /nfs/dbraw/zinc/84/30/92/1418843092.db2.gz SWXGJLWAIWQBSB-ROUUACIJSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047149 1418843100 /nfs/dbraw/zinc/84/31/00/1418843100.db2.gz SWXGJLWAIWQBSB-ROUUACIJSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714153641 1418960972 /nfs/dbraw/zinc/96/09/72/1418960972.db2.gz KGPCIBALACXPDQ-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153641 1418960976 /nfs/dbraw/zinc/96/09/76/1418960976.db2.gz KGPCIBALACXPDQ-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153641 1418960978 /nfs/dbraw/zinc/96/09/78/1418960978.db2.gz KGPCIBALACXPDQ-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001714327057 1419106134 /nfs/dbraw/zinc/10/61/34/1419106134.db2.gz IMAXTJNSDSGZCW-WOJBJXKFSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001715545572 1420242818 /nfs/dbraw/zinc/24/28/18/1420242818.db2.gz QAWOCIPPNXHXKG-UYAOXDASSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001715545572 1420242821 /nfs/dbraw/zinc/24/28/21/1420242821.db2.gz QAWOCIPPNXHXKG-UYAOXDASSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001715545572 1420242823 /nfs/dbraw/zinc/24/28/23/1420242823.db2.gz QAWOCIPPNXHXKG-UYAOXDASSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001716712078 1420864627 /nfs/dbraw/zinc/86/46/27/1420864627.db2.gz VKMIXYGZSNVAMJ-CEXWTWQISA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763187 1420909792 /nfs/dbraw/zinc/90/97/92/1420909792.db2.gz CQQZCIBPZMMRSH-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001716999460 1421069467 /nfs/dbraw/zinc/06/94/67/1421069467.db2.gz DTIRWCRZMFVKQT-FCGDIQPGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717113885 1421117460 /nfs/dbraw/zinc/11/74/60/1421117460.db2.gz SJUXNOCEXKZHEK-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001717113885 1421117462 /nfs/dbraw/zinc/11/74/62/1421117462.db2.gz SJUXNOCEXKZHEK-FQEVSTJZSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717125062 1421127004 /nfs/dbraw/zinc/12/70/04/1421127004.db2.gz FEOBCBPNKPOLGE-WAAHFUDESA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246501 1421217570 /nfs/dbraw/zinc/21/75/70/1421217570.db2.gz NMJILLPFJWIIGU-GHTZIAJQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001717246501 1421217578 /nfs/dbraw/zinc/21/75/78/1421217578.db2.gz NMJILLPFJWIIGU-GHTZIAJQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001717246501 1421217582 /nfs/dbraw/zinc/21/75/82/1421217582.db2.gz NMJILLPFJWIIGU-GHTZIAJQSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001717355810 1421290767 /nfs/dbraw/zinc/29/07/67/1421290767.db2.gz AUDPFOVRXFHQOP-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717355810 1421290769 /nfs/dbraw/zinc/29/07/69/1421290769.db2.gz AUDPFOVRXFHQOP-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001717355810 1421290773 /nfs/dbraw/zinc/29/07/73/1421290773.db2.gz AUDPFOVRXFHQOP-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001717357056 1421292528 /nfs/dbraw/zinc/29/25/28/1421292528.db2.gz VVOAQNYTCBVHDN-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717357056 1421292531 /nfs/dbraw/zinc/29/25/31/1421292531.db2.gz VVOAQNYTCBVHDN-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717357056 1421292533 /nfs/dbraw/zinc/29/25/33/1421292533.db2.gz VVOAQNYTCBVHDN-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717581862 1421508394 /nfs/dbraw/zinc/50/83/94/1421508394.db2.gz ATKOAZLIXNKABV-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589101 1421518248 /nfs/dbraw/zinc/51/82/48/1421518248.db2.gz LXSBNEXXHSVVCT-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001717841477 1421656689 /nfs/dbraw/zinc/65/66/89/1421656689.db2.gz RXDLBKCKOVTXDL-AZUAARDMSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001717841477 1421656690 /nfs/dbraw/zinc/65/66/90/1421656690.db2.gz RXDLBKCKOVTXDL-AZUAARDMSA-N 2 1 346.519 3.275 10 30 EGEEMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001723649589 1424515092 /nfs/dbraw/zinc/51/50/92/1424515092.db2.gz RSBAJJGIXPQUKU-HXUWFJFHSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001723649589 1424515096 /nfs/dbraw/zinc/51/50/96/1424515096.db2.gz RSBAJJGIXPQUKU-HXUWFJFHSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001723649589 1424515102 /nfs/dbraw/zinc/51/51/02/1424515102.db2.gz RSBAJJGIXPQUKU-HXUWFJFHSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001724294782 1424779970 /nfs/dbraw/zinc/77/99/70/1424779970.db2.gz YPKYRHBOKXZJID-MOPGFXCFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001733565365 1429766197 /nfs/dbraw/zinc/76/61/97/1429766197.db2.gz GAYHQNQOECGBOM-FSGKZVOOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001733565365 1429766201 /nfs/dbraw/zinc/76/62/01/1429766201.db2.gz GAYHQNQOECGBOM-FSGKZVOOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001733565365 1429766203 /nfs/dbraw/zinc/76/62/03/1429766203.db2.gz GAYHQNQOECGBOM-FSGKZVOOSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001724614748 1424960288 /nfs/dbraw/zinc/96/02/88/1424960288.db2.gz AVUVCXCZAVPHSK-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001724644598 1424996966 /nfs/dbraw/zinc/99/69/66/1424996966.db2.gz BCLBTLVSFMKHER-XUVXKRRUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001724644598 1424996969 /nfs/dbraw/zinc/99/69/69/1424996969.db2.gz BCLBTLVSFMKHER-XUVXKRRUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001724644598 1424996973 /nfs/dbraw/zinc/99/69/73/1424996973.db2.gz BCLBTLVSFMKHER-XUVXKRRUSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981243 1425383683 /nfs/dbraw/zinc/38/36/83/1425383683.db2.gz XOBCQFUYLOQRAN-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981243 1425383688 /nfs/dbraw/zinc/38/36/88/1425383688.db2.gz XOBCQFUYLOQRAN-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981243 1425383693 /nfs/dbraw/zinc/38/36/93/1425383693.db2.gz XOBCQFUYLOQRAN-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731515166 1427502306 /nfs/dbraw/zinc/50/23/06/1427502306.db2.gz JQJSMGTYBITHAS-CEXWTWQISA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731541504 1427549498 /nfs/dbraw/zinc/54/94/98/1427549498.db2.gz CBVRRMSFRYREBX-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001731995456 1428204429 /nfs/dbraw/zinc/20/44/29/1428204429.db2.gz GKFHIYIKURRFPF-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001734090149 1437874531 /nfs/dbraw/zinc/87/45/31/1437874531.db2.gz OYDCDOIXHQGRHC-UHFFFAOYSA-N 2 1 337.552 3.339 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001734106643 1437892806 /nfs/dbraw/zinc/89/28/06/1437892806.db2.gz RXCVXJAKVVHVGA-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001734198556 1437939900 /nfs/dbraw/zinc/93/99/00/1437939900.db2.gz OHIPXIONABQOTJ-OYRHEFFESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001734198556 1437939902 /nfs/dbraw/zinc/93/99/02/1437939902.db2.gz OHIPXIONABQOTJ-OYRHEFFESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001734583282 1438174136 /nfs/dbraw/zinc/17/41/36/1438174136.db2.gz ULZOCODXNOJARG-IEBWSBKVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001734613134 1438187302 /nfs/dbraw/zinc/18/73/02/1438187302.db2.gz PBGRRBLSCGPXQU-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943809 1440117549 /nfs/dbraw/zinc/11/75/49/1440117549.db2.gz HEXRZOKPCNWCNM-IEBWSBKVSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001750946229 1440118778 /nfs/dbraw/zinc/11/87/78/1440118778.db2.gz YOHTVZGEEHTAPQ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183151977 455239727 /nfs/dbraw/zinc/23/97/27/455239727.db2.gz PJTUPGNCCDRLIM-INIZCTEOSA-N 2 1 340.471 3.256 10 30 EGEEMP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897773 455722704 /nfs/dbraw/zinc/72/27/04/455722704.db2.gz QDHCOLFUCIMKIM-WIYYLYMNSA-N 2 1 327.516 3.137 10 30 EGEEMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897773 455722707 /nfs/dbraw/zinc/72/27/07/455722707.db2.gz QDHCOLFUCIMKIM-WIYYLYMNSA-N 2 1 327.516 3.137 10 30 EGEEMP C[N@H+]1CCC[C@@H]2CN(Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756557 /nfs/dbraw/zinc/75/65/57/455756557.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 1 348.494 3.324 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415033837 458327534 /nfs/dbraw/zinc/32/75/34/458327534.db2.gz CCKIIGYWWNAHJC-MSOLQXFVSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CC[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530230180 458725586 /nfs/dbraw/zinc/72/55/86/458725586.db2.gz FBCJEPPYHFKKTE-UHFFFAOYSA-N 2 1 328.500 3.315 10 30 EGEEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597022500 459819184 /nfs/dbraw/zinc/81/91/84/459819184.db2.gz UHPGQIPNZDLZOW-FQEVSTJZSA-N 2 1 341.499 3.174 10 30 EGEEMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634540 460293610 /nfs/dbraw/zinc/29/36/10/460293610.db2.gz UXCFJQSCYRDJDP-UHFFFAOYSA-N 2 1 338.455 3.139 10 30 EGEEMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570763 1296461547 /nfs/dbraw/zinc/46/15/47/1296461547.db2.gz XCJFIBMJSUDHRY-PBHICJAKSA-N 2 1 334.895 3.132 10 30 EGEEMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000708525900 1298240812 /nfs/dbraw/zinc/24/08/12/1298240812.db2.gz CNWMHUWGIYRHAB-DYESRHJHSA-N 2 1 349.478 3.425 10 30 EGEEMP C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1c1cc[nH+]cc1 ZINC000895557146 1309400296 /nfs/dbraw/zinc/40/02/96/1309400296.db2.gz MYTYVFHVBUUXJV-KRWDZBQOSA-N 2 1 332.451 3.347 10 30 EGEEMP N#Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000930135152 1328793783 /nfs/dbraw/zinc/79/37/83/1328793783.db2.gz AKAQKYZIJKLSHC-UHFFFAOYSA-N 2 1 346.478 3.441 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428094 1322750647 /nfs/dbraw/zinc/75/06/47/1322750647.db2.gz WEJIGJHZDSLZDD-DUXKGJEZSA-N 2 1 341.499 3.211 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001323992555 1387505627 /nfs/dbraw/zinc/50/56/27/1387505627.db2.gz DIUVVVLAMDZKFV-IEBWSBKVSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001323992555 1387505628 /nfs/dbraw/zinc/50/56/28/1387505628.db2.gz DIUVVVLAMDZKFV-IEBWSBKVSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001325630192 1388016324 /nfs/dbraw/zinc/01/63/24/1388016324.db2.gz SXDZTBBWZRNEAN-OUUBHVDSSA-N 2 1 349.563 3.287 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238045 1377241353 /nfs/dbraw/zinc/24/13/53/1377241353.db2.gz JHESGOHFBCMUOQ-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001327299932 1388490610 /nfs/dbraw/zinc/49/06/10/1388490610.db2.gz QYSHLYKKAUWJCA-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299932 1388490613 /nfs/dbraw/zinc/49/06/13/1388490613.db2.gz QYSHLYKKAUWJCA-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299932 1388490616 /nfs/dbraw/zinc/49/06/16/1388490616.db2.gz QYSHLYKKAUWJCA-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001283332085 1378815283 /nfs/dbraw/zinc/81/52/83/1378815283.db2.gz PCRXNGPYENLOTM-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001283332085 1378815287 /nfs/dbraw/zinc/81/52/87/1378815287.db2.gz PCRXNGPYENLOTM-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001283332085 1378815292 /nfs/dbraw/zinc/81/52/92/1378815292.db2.gz PCRXNGPYENLOTM-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001316809898 1384605848 /nfs/dbraw/zinc/60/58/48/1384605848.db2.gz DZCHUBYINSXVOL-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001316809898 1384605850 /nfs/dbraw/zinc/60/58/50/1384605850.db2.gz DZCHUBYINSXVOL-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001316809898 1384605854 /nfs/dbraw/zinc/60/58/54/1384605854.db2.gz DZCHUBYINSXVOL-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001317227248 1385007013 /nfs/dbraw/zinc/00/70/13/1385007013.db2.gz VMCKUBBTOLLETE-AOCRQIFASA-N 2 1 346.519 3.378 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001318906570 1385877447 /nfs/dbraw/zinc/87/74/47/1385877447.db2.gz BVJZNOYPQIHMSX-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001319651182 1386233716 /nfs/dbraw/zinc/23/37/16/1386233716.db2.gz LCGVVFOCAXSIIS-MOPGFXCFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[N@H+](CC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001180437556 1386797426 /nfs/dbraw/zinc/79/74/26/1386797426.db2.gz KVKAEPHCLUIUNA-UHFFFAOYSA-N 2 1 326.387 3.468 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001698700288 1406342945 /nfs/dbraw/zinc/34/29/45/1406342945.db2.gz UCJPOBZSUKFFFH-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329935845 1389264503 /nfs/dbraw/zinc/26/45/03/1389264503.db2.gz GZSYHNMIFPTMAC-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001332454049 1390122109 /nfs/dbraw/zinc/12/21/09/1390122109.db2.gz RPGMBOORWAEVIN-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001698800560 1406474950 /nfs/dbraw/zinc/47/49/50/1406474950.db2.gz MEJKMBZNESIILZ-SQNIBIBYSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746828 1392363653 /nfs/dbraw/zinc/36/36/53/1392363653.db2.gz VXVYTJRKQIJXIC-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746828 1392363656 /nfs/dbraw/zinc/36/36/56/1392363656.db2.gz VXVYTJRKQIJXIC-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746828 1392363659 /nfs/dbraw/zinc/36/36/59/1392363659.db2.gz VXVYTJRKQIJXIC-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748609 1392366675 /nfs/dbraw/zinc/36/66/75/1392366675.db2.gz YZMIKTHHJBQQNC-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829935 1392969553 /nfs/dbraw/zinc/96/95/53/1392969553.db2.gz PXBXGCUGROQUNX-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001490597298 1394278732 /nfs/dbraw/zinc/27/87/32/1394278732.db2.gz OYTVNMPAFPJFFU-RBUKOAKNSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001482242270 1394838876 /nfs/dbraw/zinc/83/88/76/1394838876.db2.gz CDXOVBBIJWGAPZ-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001483847617 1395114700 /nfs/dbraw/zinc/11/47/00/1395114700.db2.gz IOHCLIRALSWKRF-CTNGQTDRSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001485484743 1395971489 /nfs/dbraw/zinc/97/14/89/1395971489.db2.gz KNWYVUOBKUYFAW-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC001485570330 1396036111 /nfs/dbraw/zinc/03/61/11/1396036111.db2.gz RBEHIGFTOGIUIM-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570330 1396036118 /nfs/dbraw/zinc/03/61/18/1396036118.db2.gz RBEHIGFTOGIUIM-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570330 1396036120 /nfs/dbraw/zinc/03/61/20/1396036120.db2.gz RBEHIGFTOGIUIM-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493832088 1396343585 /nfs/dbraw/zinc/34/35/85/1396343585.db2.gz WVCJZTFULLAFFQ-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699027537 1406863988 /nfs/dbraw/zinc/86/39/88/1406863988.db2.gz IONWWUNHHDRXPY-HKUYNNGSSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690126880 1404320685 /nfs/dbraw/zinc/32/06/85/1404320685.db2.gz XOMSQAKYGFOADH-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690216082 1404424648 /nfs/dbraw/zinc/42/46/48/1404424648.db2.gz IYASQYJRNOXIQX-YSTOQKLRSA-N 2 1 347.547 3.137 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001690493003 1404606717 /nfs/dbraw/zinc/60/67/17/1404606717.db2.gz XTPCXWUNOQVGRC-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493003 1404606727 /nfs/dbraw/zinc/60/67/27/1404606727.db2.gz XTPCXWUNOQVGRC-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493003 1404606729 /nfs/dbraw/zinc/60/67/29/1404606729.db2.gz XTPCXWUNOQVGRC-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690501718 1404614539 /nfs/dbraw/zinc/61/45/39/1404614539.db2.gz OOKIPCUSRAGVSZ-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501718 1404614544 /nfs/dbraw/zinc/61/45/44/1404614544.db2.gz OOKIPCUSRAGVSZ-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501718 1404614547 /nfs/dbraw/zinc/61/45/47/1404614547.db2.gz OOKIPCUSRAGVSZ-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814202 1404748925 /nfs/dbraw/zinc/74/89/25/1404748925.db2.gz CAYCLIJRRIBSOA-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690814202 1404748927 /nfs/dbraw/zinc/74/89/27/1404748927.db2.gz CAYCLIJRRIBSOA-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690814202 1404748928 /nfs/dbraw/zinc/74/89/28/1404748928.db2.gz CAYCLIJRRIBSOA-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691910030 1405635156 /nfs/dbraw/zinc/63/51/56/1405635156.db2.gz FJMIXAHUWMYLPP-NSHGMRRFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001692124765 1405785846 /nfs/dbraw/zinc/78/58/46/1405785846.db2.gz PPLFDGAZKZGUOM-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001732289648 1428515933 /nfs/dbraw/zinc/51/59/33/1428515933.db2.gz ZZXQZPVHUXXVMQ-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699822171 1413243763 /nfs/dbraw/zinc/24/37/63/1413243763.db2.gz CMEGDWWZBZVAPS-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001699822171 1413243765 /nfs/dbraw/zinc/24/37/65/1413243765.db2.gz CMEGDWWZBZVAPS-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001699822171 1413243767 /nfs/dbraw/zinc/24/37/67/1413243767.db2.gz CMEGDWWZBZVAPS-HXUWFJFHSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001699991587 1413438898 /nfs/dbraw/zinc/43/88/98/1413438898.db2.gz QLEIOANWHPIRNS-BGYRXZFFSA-N 2 1 349.563 3.079 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001700292466 1413747190 /nfs/dbraw/zinc/74/71/90/1413747190.db2.gz KSDVXFVJWAFSTK-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292466 1413747198 /nfs/dbraw/zinc/74/71/98/1413747198.db2.gz KSDVXFVJWAFSTK-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292466 1413747202 /nfs/dbraw/zinc/74/72/02/1413747202.db2.gz KSDVXFVJWAFSTK-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001700512574 1414162345 /nfs/dbraw/zinc/16/23/45/1414162345.db2.gz YIXXCYIVQAKSQZ-SFHVURJKSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001707174949 1417229116 /nfs/dbraw/zinc/22/91/16/1417229116.db2.gz TWWCUROGTHNTMN-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001713095952 1417645218 /nfs/dbraw/zinc/64/52/18/1417645218.db2.gz VZJFFFLRZAASHC-GOSISDBHSA-N 2 1 346.519 3.133 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001713414512 1418038075 /nfs/dbraw/zinc/03/80/75/1418038075.db2.gz COTKIALUYPUETA-IEBWSBKVSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720088 1418491001 /nfs/dbraw/zinc/49/10/01/1418491001.db2.gz NUDJMCIULBWVKZ-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001713764850 1418577472 /nfs/dbraw/zinc/57/74/72/1418577472.db2.gz RSARHWIFADAZGK-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713764850 1418577480 /nfs/dbraw/zinc/57/74/80/1418577480.db2.gz RSARHWIFADAZGK-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001713764850 1418577485 /nfs/dbraw/zinc/57/74/85/1418577485.db2.gz RSARHWIFADAZGK-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001713951611 1418735660 /nfs/dbraw/zinc/73/56/60/1418735660.db2.gz GNOIKALJXODVLU-VJANTYMQSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713952658 1418736237 /nfs/dbraw/zinc/73/62/37/1418736237.db2.gz LWMWTBHFHSLDSU-BRWVUGGUSA-N 2 1 335.536 3.231 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047147 1418843350 /nfs/dbraw/zinc/84/33/50/1418843350.db2.gz SWXGJLWAIWQBSB-MSOLQXFVSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047147 1418843356 /nfs/dbraw/zinc/84/33/56/1418843356.db2.gz SWXGJLWAIWQBSB-MSOLQXFVSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001714803902 1419517291 /nfs/dbraw/zinc/51/72/91/1419517291.db2.gz DPQLYBQIHYMSOG-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001714826832 1419536866 /nfs/dbraw/zinc/53/68/66/1419536866.db2.gz VJUNWIRWWYBMHM-UHFFFAOYSA-N 2 1 328.460 3.049 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715045390 1419785769 /nfs/dbraw/zinc/78/57/69/1419785769.db2.gz OGLZYIBAMAHMIS-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001716712693 1420865405 /nfs/dbraw/zinc/86/54/05/1420865405.db2.gz UQEDJRXVRCDYLW-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001716712693 1420865407 /nfs/dbraw/zinc/86/54/07/1420865407.db2.gz UQEDJRXVRCDYLW-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900255 1421030849 /nfs/dbraw/zinc/03/08/49/1421030849.db2.gz NQOWOGIRXFJUNX-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038096 1421092728 /nfs/dbraw/zinc/09/27/28/1421092728.db2.gz NOTFQOHNHQOSPU-MOPGFXCFSA-N 2 1 347.547 3.118 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001717127870 1421129266 /nfs/dbraw/zinc/12/92/66/1421129266.db2.gz FYQYMLRUQQBDOR-RBUKOAKNSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001733287691 1429463516 /nfs/dbraw/zinc/46/35/16/1429463516.db2.gz RJGQLMWMJRQRMS-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287691 1429463517 /nfs/dbraw/zinc/46/35/17/1429463517.db2.gz RJGQLMWMJRQRMS-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287691 1429463518 /nfs/dbraw/zinc/46/35/18/1429463518.db2.gz RJGQLMWMJRQRMS-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001717377341 1421319487 /nfs/dbraw/zinc/31/94/87/1421319487.db2.gz JHRSECUGYGCLMY-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001717377341 1421319489 /nfs/dbraw/zinc/31/94/89/1421319489.db2.gz JHRSECUGYGCLMY-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001717377341 1421319493 /nfs/dbraw/zinc/31/94/93/1421319493.db2.gz JHRSECUGYGCLMY-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717536163 1421473915 /nfs/dbraw/zinc/47/39/15/1421473915.db2.gz FJLQNKFYCAGOGP-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717536163 1421473917 /nfs/dbraw/zinc/47/39/17/1421473917.db2.gz FJLQNKFYCAGOGP-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717536163 1421473919 /nfs/dbraw/zinc/47/39/19/1421473919.db2.gz FJLQNKFYCAGOGP-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001718022836 1421777617 /nfs/dbraw/zinc/77/76/17/1421777617.db2.gz KIKKVBODWDAELI-AZUAARDMSA-N 2 1 347.547 3.210 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001718022836 1421777619 /nfs/dbraw/zinc/77/76/19/1421777619.db2.gz KIKKVBODWDAELI-AZUAARDMSA-N 2 1 347.547 3.210 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001718022836 1421777622 /nfs/dbraw/zinc/77/76/22/1421777622.db2.gz KIKKVBODWDAELI-AZUAARDMSA-N 2 1 347.547 3.210 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001733393305 1429585207 /nfs/dbraw/zinc/58/52/07/1429585207.db2.gz RRGOVQKUNNSFCU-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733393305 1429585209 /nfs/dbraw/zinc/58/52/09/1429585209.db2.gz RRGOVQKUNNSFCU-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733393305 1429585213 /nfs/dbraw/zinc/58/52/13/1429585213.db2.gz RRGOVQKUNNSFCU-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001723964579 1424613107 /nfs/dbraw/zinc/61/31/07/1424613107.db2.gz UJTFVDDBBOHIIH-ZWKOTPCHSA-N 2 1 349.906 3.013 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330362 1424823357 /nfs/dbraw/zinc/82/33/57/1424823357.db2.gz NXBDDFAWQIEMSK-NQIIRXRSSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981239 1425382531 /nfs/dbraw/zinc/38/25/31/1425382531.db2.gz XOBCQFUYLOQRAN-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981239 1425382539 /nfs/dbraw/zinc/38/25/39/1425382539.db2.gz XOBCQFUYLOQRAN-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981239 1425382546 /nfs/dbraw/zinc/38/25/46/1425382546.db2.gz XOBCQFUYLOQRAN-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001725145017 1425625779 /nfs/dbraw/zinc/62/57/79/1425625779.db2.gz DIHRPLGMEMXNOZ-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725426761 1426089280 /nfs/dbraw/zinc/08/92/80/1426089280.db2.gz ULUCIVXBMBHENP-KRWDZBQOSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001725426761 1426089284 /nfs/dbraw/zinc/08/92/84/1426089284.db2.gz ULUCIVXBMBHENP-KRWDZBQOSA-N 2 1 346.519 3.284 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731716851 1427781073 /nfs/dbraw/zinc/78/10/73/1427781073.db2.gz ZVDJNPZQHRFRCT-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782352 1430049399 /nfs/dbraw/zinc/04/93/99/1430049399.db2.gz GOLIYAXGMMXEKA-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001733783057 1430050514 /nfs/dbraw/zinc/05/05/14/1430050514.db2.gz VSRWUKKXXWRJPL-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783057 1430050521 /nfs/dbraw/zinc/05/05/21/1430050521.db2.gz VSRWUKKXXWRJPL-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783057 1430050524 /nfs/dbraw/zinc/05/05/24/1430050524.db2.gz VSRWUKKXXWRJPL-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153633 1437920930 /nfs/dbraw/zinc/92/09/30/1437920930.db2.gz JEZACPJPFKDUSQ-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155489 1437922212 /nfs/dbraw/zinc/92/22/12/1437922212.db2.gz PYZXGTPFWCEOLI-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155489 1437922214 /nfs/dbraw/zinc/92/22/14/1437922214.db2.gz PYZXGTPFWCEOLI-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001750927793 1440111683 /nfs/dbraw/zinc/11/16/83/1440111683.db2.gz ALZYRUTZYHZIQB-IBGZPJMESA-N 2 1 335.536 3.142 10 30 EGEEMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1C#N ZINC000135091925 454633250 /nfs/dbraw/zinc/63/32/50/454633250.db2.gz GZKAGVRGCCOVLD-KRWDZBQOSA-N 2 1 336.439 3.204 10 30 EGEEMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280687849 456032300 /nfs/dbraw/zinc/03/23/00/456032300.db2.gz ASOHJUOFNZQYSH-PBASOCQRSA-N 2 1 328.500 3.468 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000424291555 458605798 /nfs/dbraw/zinc/60/57/98/458605798.db2.gz DPYRRCUKBLQHAF-PPGORRQASA-N 2 1 340.511 3.468 10 30 EGEEMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000594504963 459067194 /nfs/dbraw/zinc/06/71/94/459067194.db2.gz WECREOMGETZIEQ-QGZVFWFLSA-N 2 1 329.488 3.078 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567612452 459134053 /nfs/dbraw/zinc/13/40/53/459134053.db2.gz PRVPEOKXDSCRME-UFYCRDLUSA-N 2 1 326.484 3.364 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567612452 459134056 /nfs/dbraw/zinc/13/40/56/459134056.db2.gz PRVPEOKXDSCRME-UFYCRDLUSA-N 2 1 326.484 3.364 10 30 EGEEMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069832 459236314 /nfs/dbraw/zinc/23/63/14/459236314.db2.gz LEQAQWKHKKHOGC-VXKWHMMOSA-N 2 1 349.478 3.366 10 30 EGEEMP N#Cc1cccc(COc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)c1 ZINC000576724614 460202205 /nfs/dbraw/zinc/20/22/05/460202205.db2.gz NFEWEOKDNNIPAW-UHFFFAOYSA-N 2 1 335.451 3.323 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481068 461730288 /nfs/dbraw/zinc/73/02/88/461730288.db2.gz ZXFHHHJMGOKRJA-QZTJIDSGSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481068 461730295 /nfs/dbraw/zinc/73/02/95/461730295.db2.gz ZXFHHHJMGOKRJA-QZTJIDSGSA-N 2 1 330.472 3.224 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895415478 1309328076 /nfs/dbraw/zinc/32/80/76/1309328076.db2.gz NCUFZXHVNGBRLU-TUFLPTIASA-N 2 1 326.484 3.058 10 30 EGEEMP N#Cc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000929761800 1328691445 /nfs/dbraw/zinc/69/14/45/1328691445.db2.gz BKIFPTIXLXRLQH-UHFFFAOYSA-N 2 1 347.890 3.288 10 30 EGEEMP CSc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1C#N ZINC000925775035 1325295975 /nfs/dbraw/zinc/29/59/75/1325295975.db2.gz YYIUNDVIBMYQKX-RDTXWAMCSA-N 2 1 325.481 3.328 10 30 EGEEMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866249087 1330085086 /nfs/dbraw/zinc/08/50/86/1330085086.db2.gz YOBIZJNBJGBOGR-HNNXBMFYSA-N 2 1 339.439 3.055 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748097 1331177719 /nfs/dbraw/zinc/17/77/19/1331177719.db2.gz UVNMVJOJVSEYFO-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940781262 1331191240 /nfs/dbraw/zinc/19/12/40/1331191240.db2.gz YQXRKTPUMNCWGF-INIZCTEOSA-N 2 1 349.544 3.216 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940786341 1331193333 /nfs/dbraw/zinc/19/33/33/1331193333.db2.gz VDCUQNJARBPENY-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786341 1331193335 /nfs/dbraw/zinc/19/33/35/1331193335.db2.gz VDCUQNJARBPENY-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786341 1331193336 /nfs/dbraw/zinc/19/33/36/1331193336.db2.gz VDCUQNJARBPENY-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075414 1331321265 /nfs/dbraw/zinc/32/12/65/1331321265.db2.gz KUWVUGBCTCTSDT-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075414 1331321269 /nfs/dbraw/zinc/32/12/69/1331321269.db2.gz KUWVUGBCTCTSDT-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075414 1331321272 /nfs/dbraw/zinc/32/12/72/1331321272.db2.gz KUWVUGBCTCTSDT-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075415 1331321340 /nfs/dbraw/zinc/32/13/40/1331321340.db2.gz KUWVUGBCTCTSDT-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075415 1331321342 /nfs/dbraw/zinc/32/13/42/1331321342.db2.gz KUWVUGBCTCTSDT-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075415 1331321346 /nfs/dbraw/zinc/32/13/46/1331321346.db2.gz KUWVUGBCTCTSDT-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941094039 1331329539 /nfs/dbraw/zinc/32/95/39/1331329539.db2.gz WHLRGOUXZYJMKK-LJQANCHMSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001326287064 1388142697 /nfs/dbraw/zinc/14/26/97/1388142697.db2.gz LGFAHSXWJQIVNY-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267604131 1377463301 /nfs/dbraw/zinc/46/33/01/1377463301.db2.gz KTZLCKSDWCLNIC-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001274434067 1378124732 /nfs/dbraw/zinc/12/47/32/1378124732.db2.gz ASIKDQRNKADDOZ-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973738 1378693980 /nfs/dbraw/zinc/69/39/80/1378693980.db2.gz WHIHEEYVZKWHHR-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001284067823 1379426032 /nfs/dbraw/zinc/42/60/32/1379426032.db2.gz CGMHLWJWNYAXEI-WSTZPKSXSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001284067823 1379426037 /nfs/dbraw/zinc/42/60/37/1379426037.db2.gz CGMHLWJWNYAXEI-WSTZPKSXSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001284067823 1379426043 /nfs/dbraw/zinc/42/60/43/1379426043.db2.gz CGMHLWJWNYAXEI-WSTZPKSXSA-N 2 1 335.536 3.022 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001316782860 1384579617 /nfs/dbraw/zinc/57/96/17/1384579617.db2.gz LLFCGXGXNHWKQP-GGPKGHCWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001316782860 1384579622 /nfs/dbraw/zinc/57/96/22/1384579622.db2.gz LLFCGXGXNHWKQP-GGPKGHCWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001316782860 1384579626 /nfs/dbraw/zinc/57/96/26/1384579626.db2.gz LLFCGXGXNHWKQP-GGPKGHCWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316948321 1384719516 /nfs/dbraw/zinc/71/95/16/1384719516.db2.gz UERPXGQOPKNPLL-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317044273 1384818431 /nfs/dbraw/zinc/81/84/31/1384818431.db2.gz QCVFEWGZZALPSZ-GOSISDBHSA-N 2 1 346.519 3.143 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317044273 1384818433 /nfs/dbraw/zinc/81/84/33/1384818433.db2.gz QCVFEWGZZALPSZ-GOSISDBHSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317208829 1384985758 /nfs/dbraw/zinc/98/57/58/1384985758.db2.gz LUOBHTXSCNTKOU-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208829 1384985762 /nfs/dbraw/zinc/98/57/62/1384985762.db2.gz LUOBHTXSCNTKOU-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208829 1384985763 /nfs/dbraw/zinc/98/57/63/1384985763.db2.gz LUOBHTXSCNTKOU-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521844 1385239829 /nfs/dbraw/zinc/23/98/29/1385239829.db2.gz FFATZBDSWRNOFL-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001318959599 1385897872 /nfs/dbraw/zinc/89/78/72/1385897872.db2.gz UBYRTDQIYOTUFS-NCXUSEDFSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001331200173 1389651884 /nfs/dbraw/zinc/65/18/84/1389651884.db2.gz QSHLGTFKSKTQFF-AZUAARDMSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001332118798 1389995517 /nfs/dbraw/zinc/99/55/17/1389995517.db2.gz QMOUUUPFHHLLOF-TZIWHRDSSA-N 2 1 347.547 3.332 10 30 EGEEMP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001332940231 1390220411 /nfs/dbraw/zinc/22/04/11/1390220411.db2.gz KOESZNLHVROIOT-IEBWSBKVSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486442162 1391008511 /nfs/dbraw/zinc/00/85/11/1391008511.db2.gz GJZYEMCQYKZQOD-XLIONFOSSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001479501142 1392258589 /nfs/dbraw/zinc/25/85/89/1392258589.db2.gz JOZHVELSYICSKP-GOSISDBHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087578 1392577490 /nfs/dbraw/zinc/57/74/90/1392577490.db2.gz OJFJPISAGGISEV-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480204475 1392622268 /nfs/dbraw/zinc/62/22/68/1392622268.db2.gz KUJMRUKMZWSMOH-MKXGPGLRSA-N 2 1 347.547 3.233 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480727527 1392888920 /nfs/dbraw/zinc/88/89/20/1392888920.db2.gz XXSLMWDXRVTEHH-QGZVFWFLSA-N 2 1 349.544 3.312 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001698951699 1406692954 /nfs/dbraw/zinc/69/29/54/1406692954.db2.gz HVQRUKGXTQPYHF-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110414 1394431128 /nfs/dbraw/zinc/43/11/28/1394431128.db2.gz HFURUDKFUXPJKO-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001482410867 1394974971 /nfs/dbraw/zinc/97/49/71/1394974971.db2.gz QOJUBRIFUVWDNL-RBUKOAKNSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001482410868 1394975009 /nfs/dbraw/zinc/97/50/09/1394975009.db2.gz QOJUBRIFUVWDNL-RTBURBONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484139032 1395275653 /nfs/dbraw/zinc/27/56/53/1395275653.db2.gz XBVPWXADHOJDMT-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484171599 1395313094 /nfs/dbraw/zinc/31/30/94/1395313094.db2.gz OXTQTQFZXUWUKG-OAQYLSRUSA-N 2 1 343.515 3.156 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484176686 1395322720 /nfs/dbraw/zinc/32/27/20/1395322720.db2.gz ZVJSMJAYZMLFQI-FQEVSTJZSA-N 2 1 335.536 3.047 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484466759 1395403643 /nfs/dbraw/zinc/40/36/43/1395403643.db2.gz WBCXIILBUIZLBJ-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484466759 1395403647 /nfs/dbraw/zinc/40/36/47/1395403647.db2.gz WBCXIILBUIZLBJ-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484466759 1395403651 /nfs/dbraw/zinc/40/36/51/1395403651.db2.gz WBCXIILBUIZLBJ-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001502730461 1396221704 /nfs/dbraw/zinc/22/17/04/1396221704.db2.gz AAUDMFNVRJKIKD-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491958283 1396300675 /nfs/dbraw/zinc/30/06/75/1396300675.db2.gz CAVXKYFLQFWVDT-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958283 1396300676 /nfs/dbraw/zinc/30/06/76/1396300676.db2.gz CAVXKYFLQFWVDT-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958283 1396300677 /nfs/dbraw/zinc/30/06/77/1396300677.db2.gz CAVXKYFLQFWVDT-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001691998732 1405713508 /nfs/dbraw/zinc/71/35/08/1405713508.db2.gz NWHIZPCHQVWFIP-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001691998732 1405713513 /nfs/dbraw/zinc/71/35/13/1405713513.db2.gz NWHIZPCHQVWFIP-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692316576 1405935070 /nfs/dbraw/zinc/93/50/70/1405935070.db2.gz QVMKBQISVBZWRN-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074718 1428325725 /nfs/dbraw/zinc/32/57/25/1428325725.db2.gz JVXZKVSRUFYUJA-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001699683697 1413078828 /nfs/dbraw/zinc/07/88/28/1413078828.db2.gz QJWUEAVCPZKFJA-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001699683697 1413078824 /nfs/dbraw/zinc/07/88/24/1413078824.db2.gz QJWUEAVCPZKFJA-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001699683697 1413078830 /nfs/dbraw/zinc/07/88/30/1413078830.db2.gz QJWUEAVCPZKFJA-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001699683514 1413078883 /nfs/dbraw/zinc/07/88/83/1413078883.db2.gz HPCRZPUJOKWEQI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001699683514 1413078886 /nfs/dbraw/zinc/07/88/86/1413078886.db2.gz HPCRZPUJOKWEQI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001699683514 1413078891 /nfs/dbraw/zinc/07/88/91/1413078891.db2.gz HPCRZPUJOKWEQI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700200059 1413642912 /nfs/dbraw/zinc/64/29/12/1413642912.db2.gz DNKSIKZMQDBJEM-SFHVURJKSA-N 2 1 335.536 3.023 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700295462 1413755956 /nfs/dbraw/zinc/75/59/56/1413755956.db2.gz OJYZMJSCXMKERM-ZWKOTPCHSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001700295462 1413755958 /nfs/dbraw/zinc/75/59/58/1413755958.db2.gz OJYZMJSCXMKERM-ZWKOTPCHSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001700295462 1413755960 /nfs/dbraw/zinc/75/59/60/1413755960.db2.gz OJYZMJSCXMKERM-ZWKOTPCHSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001700520611 1414175007 /nfs/dbraw/zinc/17/50/07/1414175007.db2.gz GTWIMKMZFUCMQQ-IYBDPMFKSA-N 2 1 341.927 3.020 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700530596 1414197127 /nfs/dbraw/zinc/19/71/27/1414197127.db2.gz FPDMBZBCSFVCSC-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700530596 1414197129 /nfs/dbraw/zinc/19/71/29/1414197129.db2.gz FPDMBZBCSFVCSC-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001700920327 1414572390 /nfs/dbraw/zinc/57/23/90/1414572390.db2.gz XVJHVQMHXHJRDH-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732893799 1429031846 /nfs/dbraw/zinc/03/18/46/1429031846.db2.gz WUQBMMGDLJWALY-LIXSYLKWSA-N 2 1 333.520 3.012 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001707084447 1417192108 /nfs/dbraw/zinc/19/21/08/1417192108.db2.gz IBZLUQGYEDZWHL-QAQDUYKDSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001707160458 1417225176 /nfs/dbraw/zinc/22/51/76/1417225176.db2.gz OLJIJLXZRQPEAE-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713216244 1417792301 /nfs/dbraw/zinc/79/23/01/1417792301.db2.gz BPDBCCKWDGQZFG-OALUTQOASA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713216244 1417792304 /nfs/dbraw/zinc/79/23/04/1417792304.db2.gz BPDBCCKWDGQZFG-OALUTQOASA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713216244 1417792306 /nfs/dbraw/zinc/79/23/06/1417792306.db2.gz BPDBCCKWDGQZFG-OALUTQOASA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713392387 1418005404 /nfs/dbraw/zinc/00/54/04/1418005404.db2.gz FCVHDRKTJOWHFP-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001713910993 1418707139 /nfs/dbraw/zinc/70/71/39/1418707139.db2.gz XDFDMURQXJDUHV-AKHDSKFASA-N 2 1 335.536 3.137 10 30 EGEEMP C=C(C)CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001714182927 1418990817 /nfs/dbraw/zinc/99/08/17/1418990817.db2.gz CLFBXVBQPPTWNO-FXAWDEMLSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001733201834 1429306729 /nfs/dbraw/zinc/30/67/29/1429306729.db2.gz QNEMYXMXSQNWBW-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001733201837 1429307033 /nfs/dbraw/zinc/30/70/33/1429307033.db2.gz QNEMYXMXSQNWBW-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714976450 1419711113 /nfs/dbraw/zinc/71/11/13/1419711113.db2.gz NJWPRQHJYLDHNN-RTBURBONSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716063629 1420523169 /nfs/dbraw/zinc/52/31/69/1420523169.db2.gz PLKYRUWGTWEQHJ-FUHWJXTLSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001716713845 1420867569 /nfs/dbraw/zinc/86/75/69/1420867569.db2.gz ZGRJVQNLSSYBRD-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713845 1420867571 /nfs/dbraw/zinc/86/75/71/1420867571.db2.gz ZGRJVQNLSSYBRD-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713845 1420867573 /nfs/dbraw/zinc/86/75/73/1420867573.db2.gz ZGRJVQNLSSYBRD-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001717128020 1421129339 /nfs/dbraw/zinc/12/93/39/1421129339.db2.gz LQTHDADXLPTJFI-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202356 1421170517 /nfs/dbraw/zinc/17/05/17/1421170517.db2.gz RBFMKZXHZDZYHK-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717358720 1421293930 /nfs/dbraw/zinc/29/39/30/1421293930.db2.gz CXCMGOFRRLDFAX-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001733441260 1429649053 /nfs/dbraw/zinc/64/90/53/1429649053.db2.gz DLOGTOJPAOERRZ-RTWAWAEBSA-N 2 1 349.563 3.271 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726269 1424550973 /nfs/dbraw/zinc/55/09/73/1424550973.db2.gz FVFLTFSIWHUBDF-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001724126994 1424678441 /nfs/dbraw/zinc/67/84/41/1424678441.db2.gz ZXEMKAQTGGFUQV-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126994 1424678446 /nfs/dbraw/zinc/67/84/46/1424678446.db2.gz ZXEMKAQTGGFUQV-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126994 1424678452 /nfs/dbraw/zinc/67/84/52/1424678452.db2.gz ZXEMKAQTGGFUQV-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001725025176 1425442270 /nfs/dbraw/zinc/44/22/70/1425442270.db2.gz CLKYOFLSDZTSHW-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001725025176 1425442275 /nfs/dbraw/zinc/44/22/75/1425442275.db2.gz CLKYOFLSDZTSHW-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001725025176 1425442279 /nfs/dbraw/zinc/44/22/79/1425442279.db2.gz CLKYOFLSDZTSHW-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001725210061 1425769719 /nfs/dbraw/zinc/76/97/19/1425769719.db2.gz DHCHSLLFQDUJDM-WOJBJXKFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725422757 1426075506 /nfs/dbraw/zinc/07/55/06/1426075506.db2.gz AABXTSJJMCVYGI-KRWDZBQOSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676063 1426362543 /nfs/dbraw/zinc/36/25/43/1426362543.db2.gz NSRMLJBFYKPENC-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001731353232 1427292573 /nfs/dbraw/zinc/29/25/73/1427292573.db2.gz BFXRHYMZEPNAOG-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731353232 1427292577 /nfs/dbraw/zinc/29/25/77/1427292577.db2.gz BFXRHYMZEPNAOG-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001731353232 1427292579 /nfs/dbraw/zinc/29/25/79/1427292579.db2.gz BFXRHYMZEPNAOG-OALUTQOASA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835578 1428051460 /nfs/dbraw/zinc/05/14/60/1428051460.db2.gz SDYBBVVXKXNJDZ-YLJYHZDGSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877180 1428142593 /nfs/dbraw/zinc/14/25/93/1428142593.db2.gz PQMGWVUEWVEXEC-GOSISDBHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001731877180 1428142600 /nfs/dbraw/zinc/14/26/00/1428142600.db2.gz PQMGWVUEWVEXEC-GOSISDBHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001731877180 1428142605 /nfs/dbraw/zinc/14/26/05/1428142605.db2.gz PQMGWVUEWVEXEC-GOSISDBHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733607621 1429824651 /nfs/dbraw/zinc/82/46/51/1429824651.db2.gz TZOSJGUDXAWCTO-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607621 1429824663 /nfs/dbraw/zinc/82/46/63/1429824663.db2.gz TZOSJGUDXAWCTO-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607621 1429824666 /nfs/dbraw/zinc/82/46/66/1429824666.db2.gz TZOSJGUDXAWCTO-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733907579 1437725958 /nfs/dbraw/zinc/72/59/58/1437725958.db2.gz ROZZMOMGXOIFPA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907579 1437725960 /nfs/dbraw/zinc/72/59/60/1437725960.db2.gz ROZZMOMGXOIFPA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907579 1437725962 /nfs/dbraw/zinc/72/59/62/1437725962.db2.gz ROZZMOMGXOIFPA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001734087488 1437872894 /nfs/dbraw/zinc/87/28/94/1437872894.db2.gz IIVRFBWTCFFKQQ-ZWKOTPCHSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC001734441393 1438103769 /nfs/dbraw/zinc/10/37/69/1438103769.db2.gz SMPHSMKLDLQTEL-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001734441393 1438103770 /nfs/dbraw/zinc/10/37/70/1438103770.db2.gz SMPHSMKLDLQTEL-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001734441393 1438103772 /nfs/dbraw/zinc/10/37/72/1438103772.db2.gz SMPHSMKLDLQTEL-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734633833 1438194560 /nfs/dbraw/zinc/19/45/60/1438194560.db2.gz KEDMACVZBJRODR-KRWDZBQOSA-N 2 1 344.503 3.110 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734633833 1438194562 /nfs/dbraw/zinc/19/45/62/1438194562.db2.gz KEDMACVZBJRODR-KRWDZBQOSA-N 2 1 344.503 3.110 10 30 EGEEMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000130519972 162370770 /nfs/dbraw/zinc/37/07/70/162370770.db2.gz NNKJLKSDUMGEBI-QGZVFWFLSA-N 2 1 336.439 3.204 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718369 460577647 /nfs/dbraw/zinc/57/76/47/460577647.db2.gz WXXNPROLOCZVCQ-XLIONFOSSA-N 2 1 341.499 3.205 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054049 458327523 /nfs/dbraw/zinc/32/75/23/458327523.db2.gz PLMVPHRCCMBXJH-ROUUACIJSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1CC[NH2+]C2 ZINC000595884106 459474221 /nfs/dbraw/zinc/47/42/21/459474221.db2.gz DPHZQICDGYRCCS-UHFFFAOYSA-N 2 1 337.423 3.429 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000597174724 459861756 /nfs/dbraw/zinc/86/17/56/459861756.db2.gz UIWYOZHBLBFJGM-IBGZPJMESA-N 2 1 340.515 3.344 10 30 EGEEMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598973516 460111008 /nfs/dbraw/zinc/11/10/08/460111008.db2.gz KXSVNPRSHKEVQS-LXPRWKDFSA-N 2 1 342.487 3.106 10 30 EGEEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCSCC#N)C2 ZINC000880021125 1300868175 /nfs/dbraw/zinc/86/81/75/1300868175.db2.gz YRURKTBWCVDDOM-RBUKOAKNSA-N 2 1 329.513 3.087 10 30 EGEEMP C[C@]12C[NH+](CCCSCC#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021125 1300868192 /nfs/dbraw/zinc/86/81/92/1300868192.db2.gz YRURKTBWCVDDOM-RBUKOAKNSA-N 2 1 329.513 3.087 10 30 EGEEMP CSc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1C#N ZINC000925775034 1325295627 /nfs/dbraw/zinc/29/56/27/1325295627.db2.gz YYIUNDVIBMYQKX-KSSFIOAISA-N 2 1 325.481 3.328 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645153 1387416477 /nfs/dbraw/zinc/41/64/77/1387416477.db2.gz XUVXOKIGNDFBCJ-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645153 1387416478 /nfs/dbraw/zinc/41/64/78/1387416478.db2.gz XUVXOKIGNDFBCJ-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001323958009 1387500631 /nfs/dbraw/zinc/50/06/31/1387500631.db2.gz LTHXQOBNFWAFOQ-KRWDZBQOSA-N 2 1 335.536 3.138 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001323992553 1387505780 /nfs/dbraw/zinc/50/57/80/1387505780.db2.gz DIUVVVLAMDZKFV-HKUYNNGSSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001323992553 1387505782 /nfs/dbraw/zinc/50/57/82/1387505782.db2.gz DIUVVVLAMDZKFV-HKUYNNGSSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557345 1387673735 /nfs/dbraw/zinc/67/37/35/1387673735.db2.gz PMNHCFVRBNVPFD-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001326490692 1388214872 /nfs/dbraw/zinc/21/48/72/1388214872.db2.gz SQAWOGMWKNJANC-MJGOQNOKSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CC1(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCCCC1 ZINC001264759071 1377143598 /nfs/dbraw/zinc/14/35/98/1377143598.db2.gz KEUFFOIBYMRQEL-UHFFFAOYSA-N 2 1 342.487 3.299 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001266489168 1377318956 /nfs/dbraw/zinc/31/89/56/1377318956.db2.gz XWFSJZBVMSLWMB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266489168 1377318959 /nfs/dbraw/zinc/31/89/59/1377318959.db2.gz XWFSJZBVMSLWMB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266489168 1377318961 /nfs/dbraw/zinc/31/89/61/1377318961.db2.gz XWFSJZBVMSLWMB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266489168 1377318962 /nfs/dbraw/zinc/31/89/62/1377318962.db2.gz XWFSJZBVMSLWMB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267054767 1377409366 /nfs/dbraw/zinc/40/93/66/1377409366.db2.gz BZAXZFVDNWRFOI-OTWHNJEPSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001268045128 1377483674 /nfs/dbraw/zinc/48/36/74/1377483674.db2.gz RPWMNUGOPVZPDF-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001281305000 1378414533 /nfs/dbraw/zinc/41/45/33/1378414533.db2.gz OVTCQHVKCRMPJP-IAGOWNOFSA-N 2 1 341.499 3.067 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001327529435 1388550234 /nfs/dbraw/zinc/55/02/34/1388550234.db2.gz HYBATIOHVHSHJH-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001327529435 1388550236 /nfs/dbraw/zinc/55/02/36/1388550236.db2.gz HYBATIOHVHSHJH-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001327529435 1388550239 /nfs/dbraw/zinc/55/02/39/1388550239.db2.gz HYBATIOHVHSHJH-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001283309932 1378796825 /nfs/dbraw/zinc/79/68/25/1378796825.db2.gz BXHWFCKAIKKJNK-FQEVSTJZSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001283309932 1378796827 /nfs/dbraw/zinc/79/68/27/1378796827.db2.gz BXHWFCKAIKKJNK-FQEVSTJZSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001283309932 1378796829 /nfs/dbraw/zinc/79/68/29/1378796829.db2.gz BXHWFCKAIKKJNK-FQEVSTJZSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001283906503 1379252918 /nfs/dbraw/zinc/25/29/18/1379252918.db2.gz PAFCALWUDMJDFD-PKOBYXMFSA-N 2 1 335.536 3.186 10 30 EGEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001307453144 1383992620 /nfs/dbraw/zinc/99/26/20/1383992620.db2.gz UCDDLVNCYLKYFM-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001316774005 1384572279 /nfs/dbraw/zinc/57/22/79/1384572279.db2.gz SCWFZFQKFQYZCH-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317044544 1384818277 /nfs/dbraw/zinc/81/82/77/1384818277.db2.gz MHRCGNFXTWLSHE-HXUWFJFHSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137559 1384901640 /nfs/dbraw/zinc/90/16/40/1384901640.db2.gz MQIYWDBMQOLYNJ-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137559 1384901641 /nfs/dbraw/zinc/90/16/41/1384901641.db2.gz MQIYWDBMQOLYNJ-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139680 1384905753 /nfs/dbraw/zinc/90/57/53/1384905753.db2.gz KKVKFBXEXJHGCA-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317139680 1384905758 /nfs/dbraw/zinc/90/57/58/1384905758.db2.gz KKVKFBXEXJHGCA-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317139680 1384905762 /nfs/dbraw/zinc/90/57/62/1384905762.db2.gz KKVKFBXEXJHGCA-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001317722685 1385423437 /nfs/dbraw/zinc/42/34/37/1385423437.db2.gz YPEQEVPHRFSRRD-KRWDZBQOSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791145 1385484133 /nfs/dbraw/zinc/48/41/33/1385484133.db2.gz ZRPDWMDAKRQXFZ-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317791145 1385484135 /nfs/dbraw/zinc/48/41/35/1385484135.db2.gz ZRPDWMDAKRQXFZ-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317791145 1385484136 /nfs/dbraw/zinc/48/41/36/1385484136.db2.gz ZRPDWMDAKRQXFZ-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001319884704 1386360348 /nfs/dbraw/zinc/36/03/48/1386360348.db2.gz FPTBLRBTWVAEAL-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001322231659 1387112588 /nfs/dbraw/zinc/11/25/88/1387112588.db2.gz UHITXLBILACEBN-PKOBYXMFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322231659 1387112590 /nfs/dbraw/zinc/11/25/90/1387112590.db2.gz UHITXLBILACEBN-PKOBYXMFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001322231659 1387112592 /nfs/dbraw/zinc/11/25/92/1387112592.db2.gz UHITXLBILACEBN-PKOBYXMFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001330644926 1389481572 /nfs/dbraw/zinc/48/15/72/1389481572.db2.gz VTIWDSCAHAJLTK-BJLQDIEVSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1O ZINC001333840553 1390419669 /nfs/dbraw/zinc/41/96/69/1390419669.db2.gz HJQAPPSFZVVDCN-FHWLQOOXSA-N 2 1 344.499 3.291 10 30 EGEEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncc(C#N)c1 ZINC001341062541 1390434610 /nfs/dbraw/zinc/43/46/10/1390434610.db2.gz XNSWQCRUSMCVMZ-IAGOWNOFSA-N 2 1 334.467 3.199 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001488741664 1391713310 /nfs/dbraw/zinc/71/33/10/1391713310.db2.gz OYSPZGVCSZFUCZ-PNYFIKQUSA-N 2 1 347.547 3.233 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480079812 1392569163 /nfs/dbraw/zinc/56/91/63/1392569163.db2.gz PMIYVFORRHKTNG-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079812 1392569164 /nfs/dbraw/zinc/56/91/64/1392569164.db2.gz PMIYVFORRHKTNG-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079812 1392569165 /nfs/dbraw/zinc/56/91/65/1392569165.db2.gz PMIYVFORRHKTNG-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734153 1392898892 /nfs/dbraw/zinc/89/88/92/1392898892.db2.gz ZSLQCZTZSOEVPY-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480734153 1392898898 /nfs/dbraw/zinc/89/88/98/1392898898.db2.gz ZSLQCZTZSOEVPY-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480734153 1392898901 /nfs/dbraw/zinc/89/89/01/1392898901.db2.gz ZSLQCZTZSOEVPY-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742952 1392910052 /nfs/dbraw/zinc/91/00/52/1392910052.db2.gz SULOMRLDHOZSHY-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742952 1392910055 /nfs/dbraw/zinc/91/00/55/1392910055.db2.gz SULOMRLDHOZSHY-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001491214902 1394475022 /nfs/dbraw/zinc/47/50/22/1394475022.db2.gz UGBPGYQVENKTCO-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001491214902 1394475023 /nfs/dbraw/zinc/47/50/23/1394475023.db2.gz UGBPGYQVENKTCO-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001491214902 1394475026 /nfs/dbraw/zinc/47/50/26/1394475026.db2.gz UGBPGYQVENKTCO-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001484021978 1395194190 /nfs/dbraw/zinc/19/41/90/1395194190.db2.gz GVLZNFWMXZKSAT-TZIWHRDSSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021978 1395194192 /nfs/dbraw/zinc/19/41/92/1395194192.db2.gz GVLZNFWMXZKSAT-TZIWHRDSSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021978 1395194194 /nfs/dbraw/zinc/19/41/94/1395194194.db2.gz GVLZNFWMXZKSAT-TZIWHRDSSA-N 2 1 349.563 3.386 10 30 EGEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001484814873 1395548800 /nfs/dbraw/zinc/54/88/00/1395548800.db2.gz UTFBONQGVMGGJC-UHFFFAOYSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568965 1396031653 /nfs/dbraw/zinc/03/16/53/1396031653.db2.gz CSSCAOVZUHEMRS-ROUUACIJSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001496320528 1396649197 /nfs/dbraw/zinc/64/91/97/1396649197.db2.gz NJWPRQHJYLDHNN-OALUTQOASA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690192554 1404397569 /nfs/dbraw/zinc/39/75/69/1404397569.db2.gz PKKFSGHAEODCAM-IBGZPJMESA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690192557 1404399490 /nfs/dbraw/zinc/39/94/90/1404399490.db2.gz PKKFSGHAEODCAM-LJQANCHMSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193483 1404400223 /nfs/dbraw/zinc/40/02/23/1404400223.db2.gz ZVMAVELBLOZUNN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690193483 1404400227 /nfs/dbraw/zinc/40/02/27/1404400227.db2.gz ZVMAVELBLOZUNN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690193483 1404400229 /nfs/dbraw/zinc/40/02/29/1404400229.db2.gz ZVMAVELBLOZUNN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001690450444 1404575031 /nfs/dbraw/zinc/57/50/31/1404575031.db2.gz JQASJQFPWMLFIB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001690450444 1404575037 /nfs/dbraw/zinc/57/50/37/1404575037.db2.gz JQASJQFPWMLFIB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001690450444 1404575039 /nfs/dbraw/zinc/57/50/39/1404575039.db2.gz JQASJQFPWMLFIB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001725783769 1426469084 /nfs/dbraw/zinc/46/90/84/1426469084.db2.gz YFFMTNVPYPHJCP-LYBXBRPPSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001691628735 1405365743 /nfs/dbraw/zinc/36/57/43/1405365743.db2.gz BHUYKKWLOPLXOM-VQTJNVASSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691681578 1405416996 /nfs/dbraw/zinc/41/69/96/1405416996.db2.gz BAKVPWQSPPDXTR-QUCCMNQESA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818615 1405534173 /nfs/dbraw/zinc/53/41/73/1405534173.db2.gz GQAUFSMYEVVSNC-AEFFLSMTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818615 1405534175 /nfs/dbraw/zinc/53/41/75/1405534175.db2.gz GQAUFSMYEVVSNC-AEFFLSMTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001691920262 1405649463 /nfs/dbraw/zinc/64/94/63/1405649463.db2.gz USYLCMQMPBNUDO-MISYRCLQSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001692004785 1405721888 /nfs/dbraw/zinc/72/18/88/1405721888.db2.gz LSDOCCWBXJWWQQ-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001692101862 1405772196 /nfs/dbraw/zinc/77/21/96/1405772196.db2.gz RKRBTBSLOAGURJ-QYZOEREBSA-N 2 1 337.552 3.125 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001692121035 1405783299 /nfs/dbraw/zinc/78/32/99/1405783299.db2.gz MPOZYALWWIWZRY-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001692132054 1405789423 /nfs/dbraw/zinc/78/94/23/1405789423.db2.gz OUIGLVDWSWCRLA-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001732272847 1428508349 /nfs/dbraw/zinc/50/83/49/1428508349.db2.gz GDAZLHRCIPICBK-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCCC1 ZINC001699682916 1413077015 /nfs/dbraw/zinc/07/70/15/1413077015.db2.gz BUFLOMKUCIEFJM-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CCCCCC1 ZINC001699682916 1413077019 /nfs/dbraw/zinc/07/70/19/1413077019.db2.gz BUFLOMKUCIEFJM-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CCCCCC1 ZINC001699682916 1413077022 /nfs/dbraw/zinc/07/70/22/1413077022.db2.gz BUFLOMKUCIEFJM-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001699861598 1413296455 /nfs/dbraw/zinc/29/64/55/1413296455.db2.gz LZWUHGHWVGMATO-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001699874397 1413327779 /nfs/dbraw/zinc/32/77/79/1413327779.db2.gz OQVQOUYNCHVUCR-TZIWHRDSSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001699874397 1413327783 /nfs/dbraw/zinc/32/77/83/1413327783.db2.gz OQVQOUYNCHVUCR-TZIWHRDSSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001699874397 1413327786 /nfs/dbraw/zinc/32/77/86/1413327786.db2.gz OQVQOUYNCHVUCR-TZIWHRDSSA-N 2 1 349.563 3.293 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001700333082 1413813640 /nfs/dbraw/zinc/81/36/40/1413813640.db2.gz GOEYWRBEJYHMNN-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700695390 1414350723 /nfs/dbraw/zinc/35/07/23/1414350723.db2.gz GTOVAZKZVIGZLD-UHFFFAOYSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700919402 1414571243 /nfs/dbraw/zinc/57/12/43/1414571243.db2.gz WQNUHYJMJJMGSW-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001701032447 1414696279 /nfs/dbraw/zinc/69/62/79/1414696279.db2.gz YTMDLJGXLZRDCU-QGZVFWFLSA-N 2 1 347.547 3.186 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713096693 1417646281 /nfs/dbraw/zinc/64/62/81/1417646281.db2.gz DOFFHKDOUIMAHU-OALUTQOASA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001714182929 1418990846 /nfs/dbraw/zinc/99/08/46/1418990846.db2.gz CLFBXVBQPPTWNO-PXNSSMCTSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714439291 1419170523 /nfs/dbraw/zinc/17/05/23/1419170523.db2.gz PLJWNUKMBWZKAD-QZTJIDSGSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714439291 1419170525 /nfs/dbraw/zinc/17/05/25/1419170525.db2.gz PLJWNUKMBWZKAD-QZTJIDSGSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001715393424 1420090828 /nfs/dbraw/zinc/09/08/28/1420090828.db2.gz ZUHVOAXPLMAYCU-IEBWSBKVSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716513501 1420743741 /nfs/dbraw/zinc/74/37/41/1420743741.db2.gz CQFKTVDJLHRZLC-SJLPKXTDSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001716713510 1420867268 /nfs/dbraw/zinc/86/72/68/1420867268.db2.gz LMDGPYZHHOPJHB-UHFFFAOYSA-N 2 1 346.519 3.299 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CCCCCC1 ZINC001716713510 1420867270 /nfs/dbraw/zinc/86/72/70/1420867270.db2.gz LMDGPYZHHOPJHB-UHFFFAOYSA-N 2 1 346.519 3.299 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001716830830 1420958118 /nfs/dbraw/zinc/95/81/18/1420958118.db2.gz XVAKWENNYFIUHT-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830830 1420958119 /nfs/dbraw/zinc/95/81/19/1420958119.db2.gz XVAKWENNYFIUHT-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830830 1420958121 /nfs/dbraw/zinc/95/81/21/1420958121.db2.gz XVAKWENNYFIUHT-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001716871854 1420999402 /nfs/dbraw/zinc/99/94/02/1420999402.db2.gz WZGHYJKQISOVHA-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001716895884 1421023445 /nfs/dbraw/zinc/02/34/45/1421023445.db2.gz NKCYIFYXGOVMJH-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001716895884 1421023447 /nfs/dbraw/zinc/02/34/47/1421023447.db2.gz NKCYIFYXGOVMJH-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001716895884 1421023450 /nfs/dbraw/zinc/02/34/50/1421023450.db2.gz NKCYIFYXGOVMJH-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001716999993 1421070516 /nfs/dbraw/zinc/07/05/16/1421070516.db2.gz YZSONKZZRAACDE-ACDBMABISA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717113886 1421117650 /nfs/dbraw/zinc/11/76/50/1421117650.db2.gz SJUXNOCEXKZHEK-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001717113886 1421117653 /nfs/dbraw/zinc/11/76/53/1421117653.db2.gz SJUXNOCEXKZHEK-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001717215947 1421194053 /nfs/dbraw/zinc/19/40/53/1421194053.db2.gz BFAVTZIWHOPEJL-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215947 1421194054 /nfs/dbraw/zinc/19/40/54/1421194054.db2.gz BFAVTZIWHOPEJL-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215947 1421194055 /nfs/dbraw/zinc/19/40/55/1421194055.db2.gz BFAVTZIWHOPEJL-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001717312226 1421257366 /nfs/dbraw/zinc/25/73/66/1421257366.db2.gz RFYNVSQUTQPSIP-LJQANCHMSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001717375749 1421317903 /nfs/dbraw/zinc/31/79/03/1421317903.db2.gz BVESOIVOKCOEPL-QGZVFWFLSA-N 2 1 347.503 3.234 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584795 1421511442 /nfs/dbraw/zinc/51/14/42/1421511442.db2.gz CUFBPURMZMCRGW-QZTJIDSGSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584795 1421511444 /nfs/dbraw/zinc/51/14/44/1421511444.db2.gz CUFBPURMZMCRGW-QZTJIDSGSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584795 1421511446 /nfs/dbraw/zinc/51/14/46/1421511446.db2.gz CUFBPURMZMCRGW-QZTJIDSGSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001717627392 1421536600 /nfs/dbraw/zinc/53/66/00/1421536600.db2.gz PXMVHFRLUZJNHA-UFYCRDLUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726267 1424550512 /nfs/dbraw/zinc/55/05/12/1424550512.db2.gz FVFLTFSIWHUBDF-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001724322434 1424807657 /nfs/dbraw/zinc/80/76/57/1424807657.db2.gz DGCUYHCYPHKUJJ-HXUWFJFHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001724322434 1424807661 /nfs/dbraw/zinc/80/76/61/1424807661.db2.gz DGCUYHCYPHKUJJ-HXUWFJFHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001724322434 1424807667 /nfs/dbraw/zinc/80/76/67/1424807667.db2.gz DGCUYHCYPHKUJJ-HXUWFJFHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001724601159 1424931908 /nfs/dbraw/zinc/93/19/08/1424931908.db2.gz FWXQZQBCRIVHLB-HAGHYFMRSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733567763 1429770174 /nfs/dbraw/zinc/77/01/74/1429770174.db2.gz UDPNJTXOMRAEBY-UFYCRDLUSA-N 2 1 349.563 3.197 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724972862 1425373216 /nfs/dbraw/zinc/37/32/16/1425373216.db2.gz VITOQCBNYRFQHW-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001725428234 1426093197 /nfs/dbraw/zinc/09/31/97/1426093197.db2.gz ZNJPAUNLOBBNCH-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001725428234 1426093200 /nfs/dbraw/zinc/09/32/00/1426093200.db2.gz ZNJPAUNLOBBNCH-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001725428234 1426093207 /nfs/dbraw/zinc/09/32/07/1426093207.db2.gz ZNJPAUNLOBBNCH-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001731350962 1427289293 /nfs/dbraw/zinc/28/92/93/1427289293.db2.gz PZRBHUWJEWJTHG-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001731517593 1427505345 /nfs/dbraw/zinc/50/53/45/1427505345.db2.gz DBEZMSKUSBHRJA-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001731536575 1427535005 /nfs/dbraw/zinc/53/50/05/1427535005.db2.gz NSFHFOSHDHLWAI-MSOLQXFVSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001731536575 1427535006 /nfs/dbraw/zinc/53/50/06/1427535006.db2.gz NSFHFOSHDHLWAI-MSOLQXFVSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715595 1427778765 /nfs/dbraw/zinc/77/87/65/1427778765.db2.gz QMXIZBOXXVOPJR-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001733687379 1429903745 /nfs/dbraw/zinc/90/37/45/1429903745.db2.gz XXZGTGMUWVQWAT-VYJAJWGXSA-N 2 1 349.563 3.336 10 30 EGEEMP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001733800190 1430066790 /nfs/dbraw/zinc/06/67/90/1430066790.db2.gz BFILNHHIIHBBTI-SFHVURJKSA-N 2 1 337.552 3.412 10 30 EGEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001733835280 1430107100 /nfs/dbraw/zinc/10/71/00/1430107100.db2.gz BROIZIYCSWNTSY-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001733835280 1430107103 /nfs/dbraw/zinc/10/71/03/1430107103.db2.gz BROIZIYCSWNTSY-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001733835280 1430107108 /nfs/dbraw/zinc/10/71/08/1430107108.db2.gz BROIZIYCSWNTSY-FQEVSTJZSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151280 1437919069 /nfs/dbraw/zinc/91/90/69/1437919069.db2.gz ZOVPDOMUGGMKOU-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155207 1437921978 /nfs/dbraw/zinc/92/19/78/1437921978.db2.gz PYZXGTPFWCEOLI-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001734155207 1437921980 /nfs/dbraw/zinc/92/19/80/1437921980.db2.gz PYZXGTPFWCEOLI-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001734269602 1437993924 /nfs/dbraw/zinc/99/39/24/1437993924.db2.gz XLDQFSBZJWVEDX-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001734269602 1437993934 /nfs/dbraw/zinc/99/39/34/1437993934.db2.gz XLDQFSBZJWVEDX-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001734269602 1437993939 /nfs/dbraw/zinc/99/39/39/1437993939.db2.gz XLDQFSBZJWVEDX-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001734289333 1438019641 /nfs/dbraw/zinc/01/96/41/1438019641.db2.gz HYGRKDJISOLOET-SJORKVTESA-N 2 1 343.943 3.122 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440911 1438103278 /nfs/dbraw/zinc/10/32/78/1438103278.db2.gz NNJDZKJVJTVYNF-XLIONFOSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440911 1438103281 /nfs/dbraw/zinc/10/32/81/1438103281.db2.gz NNJDZKJVJTVYNF-XLIONFOSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440911 1438103282 /nfs/dbraw/zinc/10/32/82/1438103282.db2.gz NNJDZKJVJTVYNF-XLIONFOSSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001734493809 1438131289 /nfs/dbraw/zinc/13/12/89/1438131289.db2.gz DKDFFSVWVYDYOO-MSOLQXFVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001750928323 1440112220 /nfs/dbraw/zinc/11/22/20/1440112220.db2.gz FVBKKNWAGDYELI-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001750928323 1440112222 /nfs/dbraw/zinc/11/22/22/1440112222.db2.gz FVBKKNWAGDYELI-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001750928323 1440112223 /nfs/dbraw/zinc/11/22/23/1440112223.db2.gz FVBKKNWAGDYELI-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP C[N@@H+](CCCCC#N)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862958 454661444 /nfs/dbraw/zinc/66/14/44/454661444.db2.gz PJKRLSVLGWOORA-HXUWFJFHSA-N 2 1 329.488 3.058 10 30 EGEEMP C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136494 /nfs/dbraw/zinc/13/64/94/455136494.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 2 1 339.527 3.422 10 30 EGEEMP C=CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136497 /nfs/dbraw/zinc/13/64/97/455136497.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 3 1 339.527 3.422 10 30 EGEEMP C=CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136500 /nfs/dbraw/zinc/13/65/00/455136500.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 3 1 339.527 3.422 10 30 EGEEMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000281729820 456303837 /nfs/dbraw/zinc/30/38/37/456303837.db2.gz PTNJEPJNFJXBAS-UHFFFAOYSA-N 2 1 335.451 3.321 10 30 EGEEMP CSC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CSC)C2)C1 ZINC000429308382 458314523 /nfs/dbraw/zinc/31/45/23/458314523.db2.gz QBZTZEBTRAYMAK-QZTJIDSGSA-N 2 1 340.602 3.140 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000424291552 458605716 /nfs/dbraw/zinc/60/57/16/458605716.db2.gz DPYRRCUKBLQHAF-POHUPDAJSA-N 2 1 340.511 3.468 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424294268 458606797 /nfs/dbraw/zinc/60/67/97/458606797.db2.gz KDQMJKTVBLAWEJ-WHZJULEDSA-N 2 1 326.484 3.363 10 30 EGEEMP N#Cc1ccccc1COc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000594499114 459063831 /nfs/dbraw/zinc/06/38/31/459063831.db2.gz CVWHOPRTNJGDDS-UHFFFAOYSA-N 2 1 335.451 3.323 10 30 EGEEMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000594924488 459178599 /nfs/dbraw/zinc/17/85/99/459178599.db2.gz ZJUQBDNTUHIDOZ-HDICACEKSA-N 2 1 341.499 3.221 10 30 EGEEMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592074742 459521240 /nfs/dbraw/zinc/52/12/40/459521240.db2.gz MSUYGXAUQVTPPN-QGZVFWFLSA-N 2 1 326.488 3.430 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592074742 459521243 /nfs/dbraw/zinc/52/12/43/459521243.db2.gz MSUYGXAUQVTPPN-QGZVFWFLSA-N 2 1 326.488 3.430 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629653723 460849534 /nfs/dbraw/zinc/84/95/34/460849534.db2.gz FSVLDORZXJEOLL-GOEBONIOSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629653723 460849537 /nfs/dbraw/zinc/84/95/37/460849537.db2.gz FSVLDORZXJEOLL-GOEBONIOSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000651721475 462314716 /nfs/dbraw/zinc/31/47/16/462314716.db2.gz FOINKOTVEWPSDD-HZEGPAAWSA-N 2 1 328.500 3.204 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000651721475 462314721 /nfs/dbraw/zinc/31/47/21/462314721.db2.gz FOINKOTVEWPSDD-HZEGPAAWSA-N 2 1 328.500 3.204 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000876719692 1298935771 /nfs/dbraw/zinc/93/57/71/1298935771.db2.gz SMTMVYVOFIZMJV-CXAGYDPISA-N 2 1 335.879 3.327 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000876719775 1298936292 /nfs/dbraw/zinc/93/62/92/1298936292.db2.gz VEFWXJMDKNBHOF-MAUKXSAKSA-N 2 1 349.906 3.147 10 30 EGEEMP C=CCOc1cccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)c1 ZINC000877665480 1299466373 /nfs/dbraw/zinc/46/63/73/1299466373.db2.gz WZBORKORRQMUHW-UHFFFAOYSA-N 2 1 332.488 3.042 10 30 EGEEMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC000895556904 1309400567 /nfs/dbraw/zinc/40/05/67/1309400567.db2.gz MOYAHPKSQLEPRT-IAGOWNOFSA-N 2 1 336.439 3.083 10 30 EGEEMP CC[C@H](C#N)Oc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136862 1328692782 /nfs/dbraw/zinc/69/27/82/1328692782.db2.gz WPKDBCCVXCTOKS-DLBZAZTESA-N 2 1 345.487 3.339 10 30 EGEEMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000858136862 1328692789 /nfs/dbraw/zinc/69/27/89/1328692789.db2.gz WPKDBCCVXCTOKS-DLBZAZTESA-N 2 1 345.487 3.339 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801298 1331198563 /nfs/dbraw/zinc/19/85/63/1331198563.db2.gz RUMNZCNNYNGZIJ-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801298 1331198565 /nfs/dbraw/zinc/19/85/65/1331198565.db2.gz RUMNZCNNYNGZIJ-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801298 1331198569 /nfs/dbraw/zinc/19/85/69/1331198569.db2.gz RUMNZCNNYNGZIJ-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075416 1331320850 /nfs/dbraw/zinc/32/08/50/1331320850.db2.gz KUWVUGBCTCTSDT-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075416 1331320856 /nfs/dbraw/zinc/32/08/56/1331320856.db2.gz KUWVUGBCTCTSDT-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075416 1331320860 /nfs/dbraw/zinc/32/08/60/1331320860.db2.gz KUWVUGBCTCTSDT-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076271 1331322555 /nfs/dbraw/zinc/32/25/55/1331322555.db2.gz VCGCCUWWUACIOB-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001323723331 1387433441 /nfs/dbraw/zinc/43/34/41/1387433441.db2.gz XUQYCYJRVYIHRN-UHFFFAOYSA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001324103092 1387543175 /nfs/dbraw/zinc/54/31/75/1387543175.db2.gz NUYNPWFIANQHIE-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001324103092 1387543177 /nfs/dbraw/zinc/54/31/77/1387543177.db2.gz NUYNPWFIANQHIE-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661888 1387722361 /nfs/dbraw/zinc/72/23/61/1387722361.db2.gz QNGDAJPXRIMDGB-PXNSSMCTSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661889 1387722407 /nfs/dbraw/zinc/72/24/07/1387722407.db2.gz QNGDAJPXRIMDGB-XLIONFOSSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001324891852 1387807663 /nfs/dbraw/zinc/80/76/63/1387807663.db2.gz FBJPZGTUZKBTEW-IAGOWNOFSA-N 2 1 346.519 3.161 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149299 1388406589 /nfs/dbraw/zinc/40/65/89/1388406589.db2.gz XXGIQIYDVODSTO-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001327149299 1388406593 /nfs/dbraw/zinc/40/65/93/1388406593.db2.gz XXGIQIYDVODSTO-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001327149299 1388406598 /nfs/dbraw/zinc/40/65/98/1388406598.db2.gz XXGIQIYDVODSTO-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266328223 1377274928 /nfs/dbraw/zinc/27/49/28/1377274928.db2.gz WUYFTIWHLKJXNC-QGZVFWFLSA-N 2 1 340.471 3.193 10 30 EGEEMP C=CC1(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CCCCC1 ZINC001143145017 1378547420 /nfs/dbraw/zinc/54/74/20/1378547420.db2.gz DMCGASYHIRCOLL-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001284533792 1379939734 /nfs/dbraw/zinc/93/97/34/1379939734.db2.gz QXVPCNHCANDGKK-UHFFFAOYSA-N 2 1 342.487 3.391 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001328467367 1388754459 /nfs/dbraw/zinc/75/44/59/1388754459.db2.gz DSPCBAXJDZZXBC-PXNSSMCTSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328586452 1388782032 /nfs/dbraw/zinc/78/20/32/1388782032.db2.gz CECZSODXOSPCAY-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1OC ZINC001308552763 1384132698 /nfs/dbraw/zinc/13/26/98/1384132698.db2.gz GGTZBDUTPRTVQF-RCCFBDPRSA-N 2 1 330.472 3.080 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001316806241 1384598656 /nfs/dbraw/zinc/59/86/56/1384598656.db2.gz MOCFFQJVCIIPGW-IBGZPJMESA-N 2 1 335.536 3.142 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317041985 1384815329 /nfs/dbraw/zinc/81/53/29/1384815329.db2.gz XJYXEFNFYXOMED-IBGZPJMESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001317177152 1384950460 /nfs/dbraw/zinc/95/04/60/1384950460.db2.gz SBSSJPLLHSJKJB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317177152 1384950464 /nfs/dbraw/zinc/95/04/64/1384950464.db2.gz SBSSJPLLHSJKJB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317177152 1384950466 /nfs/dbraw/zinc/95/04/66/1384950466.db2.gz SBSSJPLLHSJKJB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317177152 1384950472 /nfs/dbraw/zinc/95/04/72/1384950472.db2.gz SBSSJPLLHSJKJB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001317209937 1384989215 /nfs/dbraw/zinc/98/92/15/1384989215.db2.gz VONSYADEQGNREK-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001317209937 1384989217 /nfs/dbraw/zinc/98/92/17/1384989217.db2.gz VONSYADEQGNREK-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001317209937 1384989220 /nfs/dbraw/zinc/98/92/20/1384989220.db2.gz VONSYADEQGNREK-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317876604 1385556104 /nfs/dbraw/zinc/55/61/04/1385556104.db2.gz KMALHUASSOPUMO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001317876604 1385556107 /nfs/dbraw/zinc/55/61/07/1385556107.db2.gz KMALHUASSOPUMO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001317876604 1385556111 /nfs/dbraw/zinc/55/61/11/1385556111.db2.gz KMALHUASSOPUMO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317954999 1385585550 /nfs/dbraw/zinc/58/55/50/1385585550.db2.gz AMOQGHJKTKZMGD-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317954999 1385585554 /nfs/dbraw/zinc/58/55/54/1385585554.db2.gz AMOQGHJKTKZMGD-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@H]1C ZINC001698661598 1406312450 /nfs/dbraw/zinc/31/24/50/1406312450.db2.gz JVZPIVZRHSWYHB-YLJYHZDGSA-N 2 1 346.519 3.203 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940574 1389268664 /nfs/dbraw/zinc/26/86/64/1389268664.db2.gz YLZQMXAFYOSUEK-LJQANCHMSA-N 2 1 346.519 3.299 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940574 1389268667 /nfs/dbraw/zinc/26/86/67/1389268667.db2.gz YLZQMXAFYOSUEK-LJQANCHMSA-N 2 1 346.519 3.299 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001331060508 1389615988 /nfs/dbraw/zinc/61/59/88/1389615988.db2.gz WLMDGGARUYIKMV-SFHVURJKSA-N 2 1 349.563 3.384 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001333004937 1390234866 /nfs/dbraw/zinc/23/48/66/1390234866.db2.gz PBFAQQUKUHPPKV-ICSRJNTNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001333004935 1390235115 /nfs/dbraw/zinc/23/51/15/1390235115.db2.gz PBFAQQUKUHPPKV-AZUAARDMSA-N 2 1 349.563 3.432 10 30 EGEEMP C#CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001335583864 1390705876 /nfs/dbraw/zinc/70/58/76/1390705876.db2.gz SIECHJCGQQKCJN-XUVXKRRUSA-N 2 1 326.484 3.251 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480204476 1392622227 /nfs/dbraw/zinc/62/22/27/1392622227.db2.gz KUJMRUKMZWSMOH-ZSYWTGECSA-N 2 1 347.547 3.233 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001480330721 1392689744 /nfs/dbraw/zinc/68/97/44/1392689744.db2.gz JGZRSFPQTQCCOM-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126090 1393126608 /nfs/dbraw/zinc/12/66/08/1393126608.db2.gz HTYKWQZOPVCKHT-HKUYNNGSSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335210 1393165964 /nfs/dbraw/zinc/16/59/64/1393165964.db2.gz SASFKBWSXDIDSB-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001490617184 1394284785 /nfs/dbraw/zinc/28/47/85/1394284785.db2.gz OICRQWMLMSXHKC-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001490799191 1394349251 /nfs/dbraw/zinc/34/92/51/1394349251.db2.gz FMGXHZJVIQTSIE-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490799191 1394349257 /nfs/dbraw/zinc/34/92/57/1394349257.db2.gz FMGXHZJVIQTSIE-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001490799191 1394349261 /nfs/dbraw/zinc/34/92/61/1394349261.db2.gz FMGXHZJVIQTSIE-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481508151 1394354910 /nfs/dbraw/zinc/35/49/10/1394354910.db2.gz GDCCTTGCCSXMKI-VQTJNVASSA-N 2 1 343.515 3.006 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491110209 1394431032 /nfs/dbraw/zinc/43/10/32/1394431032.db2.gz FJCZJBZKIZVFEF-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001491110209 1394431034 /nfs/dbraw/zinc/43/10/34/1394431034.db2.gz FJCZJBZKIZVFEF-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001491110209 1394431036 /nfs/dbraw/zinc/43/10/36/1394431036.db2.gz FJCZJBZKIZVFEF-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001698955514 1406702287 /nfs/dbraw/zinc/70/22/87/1406702287.db2.gz PFDKENDQQSNBBN-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001698955514 1406702291 /nfs/dbraw/zinc/70/22/91/1406702291.db2.gz PFDKENDQQSNBBN-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001698955514 1406702295 /nfs/dbraw/zinc/70/22/95/1406702295.db2.gz PFDKENDQQSNBBN-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484158763 1395294371 /nfs/dbraw/zinc/29/43/71/1395294371.db2.gz IFYJJIVXWYWYAK-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001484158763 1395294374 /nfs/dbraw/zinc/29/43/74/1395294374.db2.gz IFYJJIVXWYWYAK-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001484158763 1395294375 /nfs/dbraw/zinc/29/43/75/1395294375.db2.gz IFYJJIVXWYWYAK-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163889 1395298258 /nfs/dbraw/zinc/29/82/58/1395298258.db2.gz PSEZIHWZGGGRDE-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484171598 1395313300 /nfs/dbraw/zinc/31/33/00/1395313300.db2.gz OXTQTQFZXUWUKG-NRFANRHFSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001484471577 1395407162 /nfs/dbraw/zinc/40/71/62/1395407162.db2.gz AFVDFERXFHGLOO-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001499566755 1396184151 /nfs/dbraw/zinc/18/41/51/1396184151.db2.gz GSUFINUQKFLEMA-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001499566755 1396184153 /nfs/dbraw/zinc/18/41/53/1396184153.db2.gz GSUFINUQKFLEMA-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001499566755 1396184154 /nfs/dbraw/zinc/18/41/54/1396184154.db2.gz GSUFINUQKFLEMA-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001499566753 1396184295 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C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690193475 1404400639 /nfs/dbraw/zinc/40/06/39/1404400639.db2.gz ZVMAVELBLOZUNN-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814200 1404748803 /nfs/dbraw/zinc/74/88/03/1404748803.db2.gz CAYCLIJRRIBSOA-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690814200 1404748804 /nfs/dbraw/zinc/74/88/04/1404748804.db2.gz CAYCLIJRRIBSOA-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690814200 1404748808 /nfs/dbraw/zinc/74/88/08/1404748808.db2.gz CAYCLIJRRIBSOA-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001725641145 1426319800 /nfs/dbraw/zinc/31/98/00/1426319800.db2.gz XWFKWZNGSPCEMD-ROUUACIJSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149152 1405082945 /nfs/dbraw/zinc/08/29/45/1405082945.db2.gz VONYZOBIPPMHNW-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691149152 1405082946 /nfs/dbraw/zinc/08/29/46/1405082946.db2.gz VONYZOBIPPMHNW-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691149152 1405082950 /nfs/dbraw/zinc/08/29/50/1405082950.db2.gz VONYZOBIPPMHNW-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001691818551 1405533007 /nfs/dbraw/zinc/53/30/07/1405533007.db2.gz FJVKZRDQPYTJGR-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818551 1405533012 /nfs/dbraw/zinc/53/30/12/1405533012.db2.gz FJVKZRDQPYTJGR-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818551 1405533014 /nfs/dbraw/zinc/53/30/14/1405533014.db2.gz FJVKZRDQPYTJGR-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001692101861 1405772149 /nfs/dbraw/zinc/77/21/49/1405772149.db2.gz RKRBTBSLOAGURJ-QRVBRYPASA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692138262 1405792864 /nfs/dbraw/zinc/79/28/64/1405792864.db2.gz HAIGZHMPRCAJBD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692138262 1405792866 /nfs/dbraw/zinc/79/28/66/1405792866.db2.gz HAIGZHMPRCAJBD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692138262 1405792869 /nfs/dbraw/zinc/79/28/69/1405792869.db2.gz HAIGZHMPRCAJBD-GBESFXJTSA-N 2 1 337.552 3.268 10 30 EGEEMP 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ZINC001732273374 1428509032 /nfs/dbraw/zinc/50/90/32/1428509032.db2.gz TWGLHCWYQHQUAB-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001732289646 1428515827 /nfs/dbraw/zinc/51/58/27/1428515827.db2.gz ZZXQZPVHUXXVMQ-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001732531760 1428652631 /nfs/dbraw/zinc/65/26/31/1428652631.db2.gz ZUSAEMKWKLTZSK-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699672846 1413063946 /nfs/dbraw/zinc/06/39/46/1413063946.db2.gz FTNGDIQFDUEDME-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672846 1413063948 /nfs/dbraw/zinc/06/39/48/1413063948.db2.gz FTNGDIQFDUEDME-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672846 1413063950 /nfs/dbraw/zinc/06/39/50/1413063950.db2.gz FTNGDIQFDUEDME-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001699861600 1413296334 /nfs/dbraw/zinc/29/63/34/1413296334.db2.gz LZWUHGHWVGMATO-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699870067 1413316566 /nfs/dbraw/zinc/31/65/66/1413316566.db2.gz WVEWVHXDUCQZLY-FPOVZHCZSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699870067 1413316567 /nfs/dbraw/zinc/31/65/67/1413316567.db2.gz WVEWVHXDUCQZLY-FPOVZHCZSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699870067 1413316575 /nfs/dbraw/zinc/31/65/75/1413316575.db2.gz WVEWVHXDUCQZLY-FPOVZHCZSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001700321387 1413787636 /nfs/dbraw/zinc/78/76/36/1413787636.db2.gz 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347.547 3.025 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714627200 1419398402 /nfs/dbraw/zinc/39/84/02/1419398402.db2.gz YYLCUMIOVVJNNY-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715485716 1420166573 /nfs/dbraw/zinc/16/65/73/1420166573.db2.gz YHIUYHIUKNUHCJ-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001715545571 1420242683 /nfs/dbraw/zinc/24/26/83/1420242683.db2.gz QAWOCIPPNXHXKG-QUCCMNQESA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001715545571 1420242686 /nfs/dbraw/zinc/24/26/86/1420242686.db2.gz QAWOCIPPNXHXKG-QUCCMNQESA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001715545571 1420242687 /nfs/dbraw/zinc/24/26/87/1420242687.db2.gz QAWOCIPPNXHXKG-QUCCMNQESA-N 2 1 349.563 3.364 10 30 EGEEMP 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XVAKWENNYFIUHT-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001716889208 1421013007 /nfs/dbraw/zinc/01/30/07/1421013007.db2.gz AKPNKNBPARBLRZ-IBGZPJMESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036392 1421090110 /nfs/dbraw/zinc/09/01/10/1421090110.db2.gz DIXGWUJHMDCOIH-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036392 1421090112 /nfs/dbraw/zinc/09/01/12/1421090112.db2.gz DIXGWUJHMDCOIH-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001717037404 1421091551 /nfs/dbraw/zinc/09/15/51/1421091551.db2.gz KYTATCDIOBFUNL-IPMKNSEASA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717630647 1421539658 /nfs/dbraw/zinc/53/96/58/1421539658.db2.gz XUEPVADOYUQDFE-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP 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ZINC001733458098 1429678612 /nfs/dbraw/zinc/67/86/12/1429678612.db2.gz CCOAVDWOJNFLKK-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001733458098 1429678613 /nfs/dbraw/zinc/67/86/13/1429678613.db2.gz CCOAVDWOJNFLKK-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724341110 1424834691 /nfs/dbraw/zinc/83/46/91/1424834691.db2.gz QOLQHVKDBIFVNW-PZJWPPBQSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341110 1424834697 /nfs/dbraw/zinc/83/46/97/1424834697.db2.gz QOLQHVKDBIFVNW-PZJWPPBQSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341110 1424834702 /nfs/dbraw/zinc/83/47/02/1424834702.db2.gz QOLQHVKDBIFVNW-PZJWPPBQSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001724629745 1424985029 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347.547 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001699975902 1413417594 /nfs/dbraw/zinc/41/75/94/1413417594.db2.gz KXOQBEBSRWIUNW-XEYPJELSSA-N 2 1 347.547 3.185 10 30 EGEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001699977085 1413420030 /nfs/dbraw/zinc/42/00/30/1413420030.db2.gz FIFPIQBIYYBSGT-LTFPLMDUSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001700094398 1413508702 /nfs/dbraw/zinc/50/87/02/1413508702.db2.gz JMSKYHTZYZTWLN-XLIONFOSSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199157 1413640941 /nfs/dbraw/zinc/64/09/41/1413640941.db2.gz UHBFZMPZSNEKBA-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575950 1414250435 /nfs/dbraw/zinc/25/04/35/1414250435.db2.gz LYSJDDZXDRKTOC-SJLPKXTDSA-N 2 1 346.519 3.153 10 30 EGEEMP 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ZINC001714118472 1418922800 /nfs/dbraw/zinc/92/28/00/1418922800.db2.gz SHCNPKVJWPUVHR-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001714365419 1419125060 /nfs/dbraw/zinc/12/50/60/1419125060.db2.gz GKIYVCAFQYOWQF-SFHVURJKSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714439292 1419171027 /nfs/dbraw/zinc/17/10/27/1419171027.db2.gz PLJWNUKMBWZKAD-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714439292 1419171028 /nfs/dbraw/zinc/17/10/28/1419171028.db2.gz PLJWNUKMBWZKAD-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714528250 1419254840 /nfs/dbraw/zinc/25/48/40/1419254840.db2.gz VOOUPQAWFVQGSH-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714528250 1419254842 /nfs/dbraw/zinc/25/48/42/1419254842.db2.gz VOOUPQAWFVQGSH-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714528250 1419254844 /nfs/dbraw/zinc/25/48/44/1419254844.db2.gz VOOUPQAWFVQGSH-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001714803910 1419517156 /nfs/dbraw/zinc/51/71/56/1419517156.db2.gz DPQLYBQIHYMSOG-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715437998 1420123371 /nfs/dbraw/zinc/12/33/71/1420123371.db2.gz SCGZLMNNGSKOMC-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001733276996 1429441631 /nfs/dbraw/zinc/44/16/31/1429441631.db2.gz APJGJNAXRRJXQJ-HXUWFJFHSA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001733276996 1429441633 /nfs/dbraw/zinc/44/16/33/1429441633.db2.gz APJGJNAXRRJXQJ-HXUWFJFHSA-N 2 1 347.547 3.024 10 30 EGEEMP 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BXHWFCKAIKKJNK-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001283309933 1378796859 /nfs/dbraw/zinc/79/68/59/1378796859.db2.gz BXHWFCKAIKKJNK-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001283309933 1378796861 /nfs/dbraw/zinc/79/68/61/1378796861.db2.gz BXHWFCKAIKKJNK-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001283434006 1378925339 /nfs/dbraw/zinc/92/53/39/1378925339.db2.gz MUQHMRWHRHLFHL-VQTJNVASSA-N 2 1 343.515 3.274 10 30 EGEEMP C=CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001283435564 1378927718 /nfs/dbraw/zinc/92/77/18/1378927718.db2.gz XXRFYCKVIWLZJX-YSIASYRMSA-N 2 1 343.515 3.130 10 30 EGEEMP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001284702471 1380117947 /nfs/dbraw/zinc/11/79/47/1380117947.db2.gz OXXPPRLQBFIBQD-IEBWSBKVSA-N 2 1 337.552 3.125 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001316722771 1384542675 /nfs/dbraw/zinc/54/26/75/1384542675.db2.gz NZSRBUGSSGAZIJ-MISYRCLQSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001316722771 1384542676 /nfs/dbraw/zinc/54/26/76/1384542676.db2.gz NZSRBUGSSGAZIJ-MISYRCLQSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001316722771 1384542679 /nfs/dbraw/zinc/54/26/79/1384542679.db2.gz NZSRBUGSSGAZIJ-MISYRCLQSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317174182 1384944165 /nfs/dbraw/zinc/94/41/65/1384944165.db2.gz PXSRZMNEBWKDTD-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317174182 1384944168 /nfs/dbraw/zinc/94/41/68/1384944168.db2.gz PXSRZMNEBWKDTD-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317174182 1384944169 /nfs/dbraw/zinc/94/41/69/1384944169.db2.gz PXSRZMNEBWKDTD-SLFFLAALSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317208828 1384985608 /nfs/dbraw/zinc/98/56/08/1384985608.db2.gz LUOBHTXSCNTKOU-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208828 1384985610 /nfs/dbraw/zinc/98/56/10/1384985610.db2.gz LUOBHTXSCNTKOU-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208828 1384985613 /nfs/dbraw/zinc/98/56/13/1384985613.db2.gz LUOBHTXSCNTKOU-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524724 1385243513 /nfs/dbraw/zinc/24/35/13/1385243513.db2.gz BIWCEGJIPTXNDK-RDJZCZTQSA-N 2 1 340.471 3.049 10 30 EGEEMP 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ZINC001330264458 1389372309 /nfs/dbraw/zinc/37/23/09/1389372309.db2.gz YIOANCHMLPXIFN-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001332984793 1390229673 /nfs/dbraw/zinc/22/96/73/1390229673.db2.gz KOESZNLHVROIOT-PKOBYXMFSA-N 2 1 337.552 3.268 10 30 EGEEMP C#CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001335583857 1390706008 /nfs/dbraw/zinc/70/60/08/1390706008.db2.gz SIECHJCGQQKCJN-SLFFLAALSA-N 2 1 326.484 3.251 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479597245 1392284683 /nfs/dbraw/zinc/28/46/83/1392284683.db2.gz HVTMPSDJAZZORX-FUMNGEBKSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001479667130 1392311542 /nfs/dbraw/zinc/31/15/42/1392311542.db2.gz LKYORCYMWBHETP-MOPGFXCFSA-N 2 1 349.563 3.221 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001479687723 1392319623 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337.552 3.412 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480320444 1392680589 /nfs/dbraw/zinc/68/05/89/1392680589.db2.gz VEQYXYXLSXDNKQ-RTBURBONSA-N 2 1 337.552 3.412 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480320444 1392680591 /nfs/dbraw/zinc/68/05/91/1392680591.db2.gz VEQYXYXLSXDNKQ-RTBURBONSA-N 2 1 337.552 3.412 10 30 EGEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001481359835 1394198770 /nfs/dbraw/zinc/19/87/70/1394198770.db2.gz MGYUQIOWQOZYRW-VQTJNVASSA-N 2 1 343.515 3.227 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001490768148 1394330911 /nfs/dbraw/zinc/33/09/11/1394330911.db2.gz JKWMEJCXHJULHI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001490768148 1394330917 /nfs/dbraw/zinc/33/09/17/1394330917.db2.gz JKWMEJCXHJULHI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001490768148 1394330922 /nfs/dbraw/zinc/33/09/22/1394330922.db2.gz JKWMEJCXHJULHI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481986768 1394648928 /nfs/dbraw/zinc/64/89/28/1394648928.db2.gz WBVZYQKCFVDNHR-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001482061554 1394722579 /nfs/dbraw/zinc/72/25/79/1394722579.db2.gz OOJDVXXLVNASCK-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001482453447 1395011891 /nfs/dbraw/zinc/01/18/91/1395011891.db2.gz BGLSAESLLWHTAC-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484137966 1395274815 /nfs/dbraw/zinc/27/48/15/1395274815.db2.gz ZOVXETDUMHITQP-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568964 1396031699 /nfs/dbraw/zinc/03/16/99/1396031699.db2.gz CSSCAOVZUHEMRS-QZTJIDSGSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC001485570327 1396035207 /nfs/dbraw/zinc/03/52/07/1396035207.db2.gz RBEHIGFTOGIUIM-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570327 1396035213 /nfs/dbraw/zinc/03/52/13/1396035213.db2.gz RBEHIGFTOGIUIM-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570327 1396035218 /nfs/dbraw/zinc/03/52/18/1396035218.db2.gz RBEHIGFTOGIUIM-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001689131913 1396936838 /nfs/dbraw/zinc/93/68/38/1396936838.db2.gz XMMCLOBXUMQPBR-XUVXKRRUSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699027538 1406863583 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349.563 3.434 10 30 EGEEMP C=CCCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001699684737 1413081082 /nfs/dbraw/zinc/08/10/82/1413081082.db2.gz PHPJYAFIKIMAQI-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001699684737 1413081087 /nfs/dbraw/zinc/08/10/87/1413081087.db2.gz PHPJYAFIKIMAQI-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001699684737 1413081090 /nfs/dbraw/zinc/08/10/90/1413081090.db2.gz PHPJYAFIKIMAQI-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001700292469 1413747617 /nfs/dbraw/zinc/74/76/17/1413747617.db2.gz KSDVXFVJWAFSTK-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292469 1413747619 /nfs/dbraw/zinc/74/76/19/1413747619.db2.gz KSDVXFVJWAFSTK-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP 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10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001716889468 1421013333 /nfs/dbraw/zinc/01/33/33/1421013333.db2.gz KWTURZOQZCGHSX-NQIIRXRSSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903108 1421036392 /nfs/dbraw/zinc/03/63/92/1421036392.db2.gz XETBRUDZLAOUAP-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903108 1421036393 /nfs/dbraw/zinc/03/63/93/1421036393.db2.gz XETBRUDZLAOUAP-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035679 1421089038 /nfs/dbraw/zinc/08/90/38/1421089038.db2.gz MZQUKHCBILPOIT-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035677 1421089042 /nfs/dbraw/zinc/08/90/42/1421089042.db2.gz MZQUKHCBILPOIT-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001717129159 1421130282 /nfs/dbraw/zinc/13/02/82/1421130282.db2.gz AHKXGUFAOJSFJF-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202358 1421170392 /nfs/dbraw/zinc/17/03/92/1421170392.db2.gz RBFMKZXHZDZYHK-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001717334712 1421271514 /nfs/dbraw/zinc/27/15/14/1421271514.db2.gz YJUDWWAIWVAJOM-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419369 1429625249 /nfs/dbraw/zinc/62/52/49/1429625249.db2.gz VQOIPQHITGOCPG-UWJYYQICSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001723631212 1424498361 /nfs/dbraw/zinc/49/83/61/1424498361.db2.gz GQNMSHXROHWENA-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001724334728 1424829734 /nfs/dbraw/zinc/82/97/34/1424829734.db2.gz VNOKNDVYICOAQU-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334728 1424829741 /nfs/dbraw/zinc/82/97/41/1424829741.db2.gz VNOKNDVYICOAQU-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334728 1424829750 /nfs/dbraw/zinc/82/97/50/1424829750.db2.gz VNOKNDVYICOAQU-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724341109 1424834158 /nfs/dbraw/zinc/83/41/58/1424834158.db2.gz QOLQHVKDBIFVNW-FPOVZHCZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341109 1424834165 /nfs/dbraw/zinc/83/41/65/1424834165.db2.gz QOLQHVKDBIFVNW-FPOVZHCZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341109 1424834171 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LGKSHZFNCMKODS-BGYRXZFFSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725830034 1426507923 /nfs/dbraw/zinc/50/79/23/1426507923.db2.gz OHJPOMMTTNECQR-FQEVSTJZSA-N 2 1 341.499 3.004 10 30 EGEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725830034 1426507925 /nfs/dbraw/zinc/50/79/25/1426507925.db2.gz OHJPOMMTTNECQR-FQEVSTJZSA-N 2 1 341.499 3.004 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731756647 1427858282 /nfs/dbraw/zinc/85/82/82/1427858282.db2.gz CAQULGUWXPNGJI-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733604718 1429814569 /nfs/dbraw/zinc/81/45/69/1429814569.db2.gz YNGQZNHHFQAGHJ-IPMKNSEASA-N 2 1 335.536 3.138 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001733762623 1429979142 /nfs/dbraw/zinc/97/91/42/1429979142.db2.gz BURQGNOFVGNBAN-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733762623 1429979143 /nfs/dbraw/zinc/97/91/43/1429979143.db2.gz BURQGNOFVGNBAN-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733762623 1429979145 /nfs/dbraw/zinc/97/91/45/1429979145.db2.gz BURQGNOFVGNBAN-RBUKOAKNSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001733897187 1437714770 /nfs/dbraw/zinc/71/47/70/1437714770.db2.gz CLTNIOKXBVAQLI-NVXWUHKLSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734103583 1437888486 /nfs/dbraw/zinc/88/84/86/1437888486.db2.gz KIIJNWJVACUKTB-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001734103583 1437888490 /nfs/dbraw/zinc/88/84/90/1437888490.db2.gz KIIJNWJVACUKTB-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001734103583 1437888493 /nfs/dbraw/zinc/88/84/93/1437888493.db2.gz KIIJNWJVACUKTB-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734194997 1437936028 /nfs/dbraw/zinc/93/60/28/1437936028.db2.gz VAISCRJYCIMQRB-SLFFLAALSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001734195933 1437936910 /nfs/dbraw/zinc/93/69/10/1437936910.db2.gz PRTGDODAXVRIMI-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195933 1437936912 /nfs/dbraw/zinc/93/69/12/1437936912.db2.gz PRTGDODAXVRIMI-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195933 1437936915 /nfs/dbraw/zinc/93/69/15/1437936915.db2.gz PRTGDODAXVRIMI-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001734196407 1437937635 /nfs/dbraw/zinc/93/76/35/1437937635.db2.gz HPXOQFKFHRIMIE-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001734196407 1437937636 /nfs/dbraw/zinc/93/76/36/1437937636.db2.gz HPXOQFKFHRIMIE-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001734269598 1437994188 /nfs/dbraw/zinc/99/41/88/1437994188.db2.gz XLDQFSBZJWVEDX-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001734269598 1437994211 /nfs/dbraw/zinc/99/42/11/1437994211.db2.gz XLDQFSBZJWVEDX-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001734269598 1437994225 /nfs/dbraw/zinc/99/42/25/1437994225.db2.gz XLDQFSBZJWVEDX-HKUYNNGSSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734299880 1438031503 /nfs/dbraw/zinc/03/15/03/1438031503.db2.gz FEYWWONCSACADC-ICSRJNTNSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001734494070 1438131496 /nfs/dbraw/zinc/13/14/96/1438131496.db2.gz NWXYJZNZYMINHJ-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668327 252121992 /nfs/dbraw/zinc/12/19/92/252121992.db2.gz JTXLANGLJJZKTD-CTNGQTDRSA-N 2 1 341.499 3.180 10 30 EGEEMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668327 252121995 /nfs/dbraw/zinc/12/19/95/252121995.db2.gz JTXLANGLJJZKTD-CTNGQTDRSA-N 2 1 341.499 3.180 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600716469 460576749 /nfs/dbraw/zinc/57/67/49/460576749.db2.gz GLCRDSKCGIANAP-XLIONFOSSA-N 2 1 341.499 3.205 10 30 EGEEMP C#CCOc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000174430624 455391119 /nfs/dbraw/zinc/39/11/19/455391119.db2.gz CMLGORXMBHGQBU-UHFFFAOYSA-N 2 1 335.451 3.161 10 30 EGEEMP C[N@@H+]1C[C@H]2CN(CCC(C#N)(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000193605638 455767006 /nfs/dbraw/zinc/76/70/06/455767006.db2.gz SXJADLHNOFXKQG-BGYRXZFFSA-N 2 1 345.490 3.380 10 30 EGEEMP C[N@H+]1C[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193605638 455767011 /nfs/dbraw/zinc/76/70/11/455767011.db2.gz SXJADLHNOFXKQG-BGYRXZFFSA-N 2 1 345.490 3.380 10 30 EGEEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193605638 455767013 /nfs/dbraw/zinc/76/70/13/455767013.db2.gz SXJADLHNOFXKQG-BGYRXZFFSA-N 2 1 345.490 3.380 10 30 EGEEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193605638 455767019 /nfs/dbraw/zinc/76/70/19/455767019.db2.gz SXJADLHNOFXKQG-BGYRXZFFSA-N 2 1 345.490 3.380 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415033844 458327179 /nfs/dbraw/zinc/32/71/79/458327179.db2.gz CCKIIGYWWNAHJC-ZWKOTPCHSA-N 2 1 330.472 3.224 10 30 EGEEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509638 /nfs/dbraw/zinc/50/96/38/458509638.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 1 337.414 3.322 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424294266 458606268 /nfs/dbraw/zinc/60/62/68/458606268.db2.gz KDQMJKTVBLAWEJ-FCMAGTKHSA-N 2 1 326.484 3.363 10 30 EGEEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000595907730 459481479 /nfs/dbraw/zinc/48/14/79/459481479.db2.gz XBCNXWVOWFUIMX-IBGZPJMESA-N 2 1 329.488 3.030 10 30 EGEEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000595907730 459481486 /nfs/dbraw/zinc/48/14/86/459481486.db2.gz XBCNXWVOWFUIMX-IBGZPJMESA-N 2 1 329.488 3.030 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629653721 460849505 /nfs/dbraw/zinc/84/95/05/460849505.db2.gz FSVLDORZXJEOLL-GDBMZVCRSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629653721 460849509 /nfs/dbraw/zinc/84/95/09/460849509.db2.gz FSVLDORZXJEOLL-GDBMZVCRSA-N 2 1 328.378 3.211 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000651721473 462314508 /nfs/dbraw/zinc/31/45/08/462314508.db2.gz FOINKOTVEWPSDD-AYWYSENESA-N 2 1 328.500 3.204 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000651721473 462314515 /nfs/dbraw/zinc/31/45/15/462314515.db2.gz FOINKOTVEWPSDD-AYWYSENESA-N 2 1 328.500 3.204 10 30 EGEEMP N#Cc1ccc(-c2ccn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000738070985 576284509 /nfs/dbraw/zinc/28/45/09/576284509.db2.gz DQOVTOKPGLBKKI-UHFFFAOYSA-N 2 1 349.482 3.187 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172883 1296794352 /nfs/dbraw/zinc/79/43/52/1296794352.db2.gz NXRVNBKXDCPREN-OAHLLOKOSA-N 2 1 332.835 3.475 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929841111 1328716842 /nfs/dbraw/zinc/71/68/42/1328716842.db2.gz KGWLWWRCBWXFMM-QGZVFWFLSA-N 2 1 326.488 3.430 10 30 EGEEMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000865847166 1329744943 /nfs/dbraw/zinc/74/49/43/1329744943.db2.gz IFRTYMUGMNRCEB-QHCPKHFHSA-N 2 1 345.490 3.322 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853464 1331221237 /nfs/dbraw/zinc/22/12/37/1331221237.db2.gz RMPVPUCLBLQDSR-GOSISDBHSA-N 2 1 340.471 3.049 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238149 1331402706 /nfs/dbraw/zinc/40/27/06/1331402706.db2.gz UGZWDQTZHFAHBV-LJQANCHMSA-N 2 1 343.515 3.155 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001323148146 1387303024 /nfs/dbraw/zinc/30/30/24/1387303024.db2.gz JSFZAAQBDCSJSO-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001323817102 1387467288 /nfs/dbraw/zinc/46/72/88/1387467288.db2.gz WTFMQEAHSAAOEI-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817102 1387467290 /nfs/dbraw/zinc/46/72/90/1387467290.db2.gz WTFMQEAHSAAOEI-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817102 1387467292 /nfs/dbraw/zinc/46/72/92/1387467292.db2.gz WTFMQEAHSAAOEI-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143681 1388402251 /nfs/dbraw/zinc/40/22/51/1388402251.db2.gz VMGYEZIBWHLYAA-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266877225 1377398858 /nfs/dbraw/zinc/39/88/58/1377398858.db2.gz JBTUPNMNTSKDDF-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973740 1378693662 /nfs/dbraw/zinc/69/36/62/1378693662.db2.gz WHIHEEYVZKWHHR-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098286 1388670319 /nfs/dbraw/zinc/67/03/19/1388670319.db2.gz LMWREKLYLMECIN-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098286 1388670321 /nfs/dbraw/zinc/67/03/21/1388670321.db2.gz LMWREKLYLMECIN-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001328294957 1388718645 /nfs/dbraw/zinc/71/86/45/1388718645.db2.gz PQNYYMAXFYOPIJ-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001328588088 1388783567 /nfs/dbraw/zinc/78/35/67/1388783567.db2.gz QBFQRKYJLJHARJ-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001328588088 1388783569 /nfs/dbraw/zinc/78/35/69/1388783569.db2.gz QBFQRKYJLJHARJ-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001328588088 1388783571 /nfs/dbraw/zinc/78/35/71/1388783571.db2.gz QBFQRKYJLJHARJ-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001316702387 1384530101 /nfs/dbraw/zinc/53/01/01/1384530101.db2.gz ARMUFDIRTCCOSH-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317051117 1384827864 /nfs/dbraw/zinc/82/78/64/1384827864.db2.gz QDMSPRUAFUAGCH-KDURUIRLSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521837 1385240006 /nfs/dbraw/zinc/24/00/06/1385240006.db2.gz FFATZBDSWRNOFL-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317883781 1385561980 /nfs/dbraw/zinc/56/19/80/1385561980.db2.gz FACRBBFAQIDCAB-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001319651187 1386233413 /nfs/dbraw/zinc/23/34/13/1386233413.db2.gz LCGVVFOCAXSIIS-RTBURBONSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001320114956 1386522430 /nfs/dbraw/zinc/52/24/30/1386522430.db2.gz NCEHQJXUEMPEPC-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001331053491 1389612115 /nfs/dbraw/zinc/61/21/15/1389612115.db2.gz LFAXMGSPIFFRKA-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053491 1389612118 /nfs/dbraw/zinc/61/21/18/1389612118.db2.gz LFAXMGSPIFFRKA-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053491 1389612121 /nfs/dbraw/zinc/61/21/21/1389612121.db2.gz LFAXMGSPIFFRKA-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109264 1389988342 /nfs/dbraw/zinc/98/83/42/1389988342.db2.gz FLCIRXGKVWTCCZ-ICSRJNTNSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109264 1389988346 /nfs/dbraw/zinc/98/83/46/1389988346.db2.gz 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335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575949 1414250101 /nfs/dbraw/zinc/25/01/01/1414250101.db2.gz LYSJDDZXDRKTOC-FUHWJXTLSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575949 1414250103 /nfs/dbraw/zinc/25/01/03/1414250103.db2.gz LYSJDDZXDRKTOC-FUHWJXTLSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700696675 1414353910 /nfs/dbraw/zinc/35/39/10/1414353910.db2.gz MARMVALOBSKTEE-QGZVFWFLSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001700696675 1414353913 /nfs/dbraw/zinc/35/39/13/1414353913.db2.gz MARMVALOBSKTEE-QGZVFWFLSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001700696675 1414353918 /nfs/dbraw/zinc/35/39/18/1414353918.db2.gz MARMVALOBSKTEE-QGZVFWFLSA-N 2 1 337.552 3.242 10 30 EGEEMP 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C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724372 1420882793 /nfs/dbraw/zinc/88/27/93/1420882793.db2.gz DJOCTOVDHJMFPQ-TZIWHRDSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001716724372 1420882796 /nfs/dbraw/zinc/88/27/96/1420882796.db2.gz DJOCTOVDHJMFPQ-TZIWHRDSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763189 1420909774 /nfs/dbraw/zinc/90/97/74/1420909774.db2.gz CQQZCIBPZMMRSH-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038524 1421093007 /nfs/dbraw/zinc/09/30/07/1421093007.db2.gz OMMYCZLTJQXNBK-WOJBJXKFSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038523 1421093452 /nfs/dbraw/zinc/09/34/52/1421093452.db2.gz OMMYCZLTJQXNBK-VQTJNVASSA-N 2 1 347.547 3.284 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001717218102 1421196041 /nfs/dbraw/zinc/19/60/41/1421196041.db2.gz ZDRLMMKZUZXQNM-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717218102 1421196042 /nfs/dbraw/zinc/19/60/42/1421196042.db2.gz ZDRLMMKZUZXQNM-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717218102 1421196043 /nfs/dbraw/zinc/19/60/43/1421196043.db2.gz ZDRLMMKZUZXQNM-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001717237278 1421205598 /nfs/dbraw/zinc/20/55/98/1421205598.db2.gz CUIJINVTPPRNSB-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288780 1429466022 /nfs/dbraw/zinc/46/60/22/1429466022.db2.gz YRUNLSLGLWHVKP-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001717309054 1421251507 /nfs/dbraw/zinc/25/15/07/1421251507.db2.gz DNWQXDGCURFNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309054 1421251508 /nfs/dbraw/zinc/25/15/08/1421251508.db2.gz DNWQXDGCURFNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001717309054 1421251509 /nfs/dbraw/zinc/25/15/09/1421251509.db2.gz DNWQXDGCURFNKO-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581032 1421507241 /nfs/dbraw/zinc/50/72/41/1421507241.db2.gz GVGYJKMCFGIAIZ-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581032 1421507242 /nfs/dbraw/zinc/50/72/42/1421507242.db2.gz GVGYJKMCFGIAIZ-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001717586444 1421514042 /nfs/dbraw/zinc/51/40/42/1421514042.db2.gz LOYYTCPWQICIMY-IBGZPJMESA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001717978816 1421749582 /nfs/dbraw/zinc/74/95/82/1421749582.db2.gz KAZYWQNLMZTHJF-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001717980000 1421751078 /nfs/dbraw/zinc/75/10/78/1421751078.db2.gz MTFKPILASDFVDX-QGZVFWFLSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001733458574 1429679530 /nfs/dbraw/zinc/67/95/30/1429679530.db2.gz GSRWBVWRXUUCMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733458574 1429679532 /nfs/dbraw/zinc/67/95/32/1429679532.db2.gz GSRWBVWRXUUCMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733458574 1429679533 /nfs/dbraw/zinc/67/95/33/1429679533.db2.gz GSRWBVWRXUUCMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001723799167 1424569256 /nfs/dbraw/zinc/56/92/56/1424569256.db2.gz DMUNNHWYQKXJSB-LJQANCHMSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001723799167 1424569261 /nfs/dbraw/zinc/56/92/61/1424569261.db2.gz DMUNNHWYQKXJSB-LJQANCHMSA-N 2 1 337.552 3.362 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001724294785 1424780185 /nfs/dbraw/zinc/78/01/85/1424780185.db2.gz YPKYRHBOKXZJID-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001724852942 1425218373 /nfs/dbraw/zinc/21/83/73/1425218373.db2.gz AWPZDNZIPYLFDJ-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001724852942 1425218375 /nfs/dbraw/zinc/21/83/75/1425218375.db2.gz AWPZDNZIPYLFDJ-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001724852942 1425218382 /nfs/dbraw/zinc/21/83/82/1425218382.db2.gz AWPZDNZIPYLFDJ-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001725611212 1426269995 /nfs/dbraw/zinc/26/99/95/1426269995.db2.gz WQXFRWZRMYLIPW-NQIIRXRSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001725765034 1426447685 /nfs/dbraw/zinc/44/76/85/1426447685.db2.gz MTBGXTOFQHQYGO-UHFFFAOYSA-N 2 1 328.460 3.001 10 30 EGEEMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725770023 1426453390 /nfs/dbraw/zinc/45/33/90/1426453390.db2.gz AJMMBQROSAOJBW-PXNSSMCTSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001733694143 1429911607 /nfs/dbraw/zinc/91/16/07/1429911607.db2.gz YBYFVVWYAAGODW-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734032799 1437820763 /nfs/dbraw/zinc/82/07/63/1437820763.db2.gz AXOHTHNSNQSDRV-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032799 1437820765 /nfs/dbraw/zinc/82/07/65/1437820765.db2.gz AXOHTHNSNQSDRV-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032799 1437820766 /nfs/dbraw/zinc/82/07/66/1437820766.db2.gz AXOHTHNSNQSDRV-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734103586 1437888344 /nfs/dbraw/zinc/88/83/44/1437888344.db2.gz KIIJNWJVACUKTB-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001734103586 1437888345 /nfs/dbraw/zinc/88/83/45/1437888345.db2.gz KIIJNWJVACUKTB-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001734103586 1437888347 /nfs/dbraw/zinc/88/83/47/1437888347.db2.gz KIIJNWJVACUKTB-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001734493810 1438131312 /nfs/dbraw/zinc/13/13/12/1438131312.db2.gz DKDFFSVWVYDYOO-QZTJIDSGSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001734578783 1438171327 /nfs/dbraw/zinc/17/13/27/1438171327.db2.gz JSMRTBSPKXCZIE-SCTDSRPQSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943776 1440116992 /nfs/dbraw/zinc/11/69/92/1440116992.db2.gz AGQUHXVVKMKYNW-ROUUACIJSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943776 1440116993 /nfs/dbraw/zinc/11/69/93/1440116993.db2.gz AGQUHXVVKMKYNW-ROUUACIJSA-N 2 1 337.552 3.288 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001750943776 1440116994 /nfs/dbraw/zinc/11/69/94/1440116994.db2.gz AGQUHXVVKMKYNW-ROUUACIJSA-N 2 1 337.552 3.288 10 30 EGEEMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000378356039 169106729 /nfs/dbraw/zinc/10/67/29/169106729.db2.gz RQPSBAVIBUGJSO-UHFFFAOYSA-N 2 1 338.455 3.387 10 30 EGEEMP COc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1C#N ZINC000174430489 455391279 /nfs/dbraw/zinc/39/12/79/455391279.db2.gz MTWPNWGPXYPNHG-UHFFFAOYSA-N 2 1 336.439 3.029 10 30 EGEEMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000134157553 454509321 /nfs/dbraw/zinc/50/93/21/454509321.db2.gz PNJDQLWOOMMJII-UHFFFAOYSA-N 2 1 339.487 3.150 10 30 EGEEMP C=CCC[C@@H](O)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865733 455088083 /nfs/dbraw/zinc/08/80/83/455088083.db2.gz RYLGJGBRAHNLPF-LJQANCHMSA-N 2 1 346.519 3.101 10 30 EGEEMP C=CCC[C@@H](O)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865733 455088086 /nfs/dbraw/zinc/08/80/86/455088086.db2.gz RYLGJGBRAHNLPF-LJQANCHMSA-N 2 1 346.519 3.101 10 30 EGEEMP C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc(OC)c1O ZINC000247299489 455585227 /nfs/dbraw/zinc/58/52/27/455585227.db2.gz ZOORBVLCWJIVIH-MAUKXSAKSA-N 2 1 341.455 3.409 10 30 EGEEMP C[N@H+]1CCC[C@H]2CN(Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757102 /nfs/dbraw/zinc/75/71/02/455757102.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 1 348.494 3.324 10 30 EGEEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289546 455941629 /nfs/dbraw/zinc/94/16/29/455941629.db2.gz OEYRHVLOLAVLET-GOSISDBHSA-N 2 1 338.430 3.046 10 30 EGEEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000195298605 455942237 /nfs/dbraw/zinc/94/22/37/455942237.db2.gz SWUBGAYGROVISZ-FQEVSTJZSA-N 2 1 337.442 3.026 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770362 458589240 /nfs/dbraw/zinc/58/92/40/458589240.db2.gz UOEMWDLNSJEMLS-XLIONFOSSA-N 2 1 348.918 3.418 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598603097 459961482 /nfs/dbraw/zinc/96/14/82/459961482.db2.gz SAKYLAOEGYQETG-KDOFPFPSSA-N 2 1 326.444 3.132 10 30 EGEEMP C=CCCn1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)nn1 ZINC000653606914 461755372 /nfs/dbraw/zinc/75/53/72/461755372.db2.gz KWNOSWSEQPHESD-OAHLLOKOSA-N 2 1 336.443 3.199 10 30 EGEEMP CCCCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000740877469 574830545 /nfs/dbraw/zinc/83/05/45/574830545.db2.gz PJSRTUYZBSUELS-UHFFFAOYSA-N 2 1 337.552 3.223 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876719694 1298937033 /nfs/dbraw/zinc/93/70/33/1298937033.db2.gz SMTMVYVOFIZMJV-GUYCJALGSA-N 2 1 335.879 3.327 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000876719776 1298939904 /nfs/dbraw/zinc/93/99/04/1298939904.db2.gz VEFWXJMDKNBHOF-QAPCUYQASA-N 2 1 349.906 3.147 10 30 EGEEMP C[C@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000859358503 1328974601 /nfs/dbraw/zinc/97/46/01/1328974601.db2.gz GVNILAQFBNTWMY-QZTJIDSGSA-N 2 1 332.568 3.166 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001323831960 1387468540 /nfs/dbraw/zinc/46/85/40/1387468540.db2.gz KSKVRSXPPBDONJ-SFHVURJKSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001323958010 1387500810 /nfs/dbraw/zinc/50/08/10/1387500810.db2.gz LTHXQOBNFWAFOQ-QGZVFWFLSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001324517370 1387658594 /nfs/dbraw/zinc/65/85/94/1387658594.db2.gz GRHCBSLXKATXSM-WOJBJXKFSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052397 1367675926 /nfs/dbraw/zinc/67/59/26/1367675926.db2.gz FXIXWRXQDUGTBU-IBGZPJMESA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052397 1367675931 /nfs/dbraw/zinc/67/59/31/1367675931.db2.gz FXIXWRXQDUGTBU-IBGZPJMESA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052397 1367675936 /nfs/dbraw/zinc/67/59/36/1367675936.db2.gz FXIXWRXQDUGTBU-IBGZPJMESA-N 2 1 346.515 3.307 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC001192052397 1367675941 /nfs/dbraw/zinc/67/59/41/1367675941.db2.gz FXIXWRXQDUGTBU-IBGZPJMESA-N 2 1 346.515 3.307 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001325663534 1388024151 /nfs/dbraw/zinc/02/41/51/1388024151.db2.gz ZYUUQUSKHPVRSH-MUGJNUQGSA-N 2 1 349.563 3.195 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001265650673 1377158559 /nfs/dbraw/zinc/15/85/59/1377158559.db2.gz CGINJKDBIZBHFR-IBGZPJMESA-N 2 1 337.552 3.269 10 30 EGEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266223497 1377235682 /nfs/dbraw/zinc/23/56/82/1377235682.db2.gz RFMBDZMPSPRLEB-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266223497 1377235686 /nfs/dbraw/zinc/23/56/86/1377235686.db2.gz RFMBDZMPSPRLEB-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266223497 1377235690 /nfs/dbraw/zinc/23/56/90/1377235690.db2.gz RFMBDZMPSPRLEB-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279574752 1378312478 /nfs/dbraw/zinc/31/24/78/1378312478.db2.gz BCLBTLVSFMKHER-AABGKKOBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574752 1378312484 /nfs/dbraw/zinc/31/24/84/1378312484.db2.gz BCLBTLVSFMKHER-AABGKKOBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574752 1378312487 /nfs/dbraw/zinc/31/24/87/1378312487.db2.gz BCLBTLVSFMKHER-AABGKKOBSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284151130 1379546119 /nfs/dbraw/zinc/54/61/19/1379546119.db2.gz DOXWVVQTWZEKGJ-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284151130 1379546122 /nfs/dbraw/zinc/54/61/22/1379546122.db2.gz DOXWVVQTWZEKGJ-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360396 1379704921 /nfs/dbraw/zinc/70/49/21/1379704921.db2.gz YCMUIFYOYACMHU-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321965 1379712047 /nfs/dbraw/zinc/71/20/47/1379712047.db2.gz DXABLDVNVSNPIZ-DLBZAZTESA-N 2 1 337.552 3.146 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001328097986 1388669290 /nfs/dbraw/zinc/66/92/90/1388669290.db2.gz KHCVIMVLCCHSTJ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328265670 1388702815 /nfs/dbraw/zinc/70/28/15/1388702815.db2.gz CLAHHDNMIZMOEO-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001328265670 1388702818 /nfs/dbraw/zinc/70/28/18/1388702818.db2.gz CLAHHDNMIZMOEO-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001328265670 1388702820 /nfs/dbraw/zinc/70/28/20/1388702820.db2.gz CLAHHDNMIZMOEO-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328747516 1388838376 /nfs/dbraw/zinc/83/83/76/1388838376.db2.gz BGUPXPLSOUDHSZ-IBGZPJMESA-N 2 1 347.547 3.284 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810270 1384606447 /nfs/dbraw/zinc/60/64/47/1384606447.db2.gz ICODLMRQHPVBQG-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810270 1384606451 /nfs/dbraw/zinc/60/64/51/1384606451.db2.gz ICODLMRQHPVBQG-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317208826 1384985618 /nfs/dbraw/zinc/98/56/18/1384985618.db2.gz LUOBHTXSCNTKOU-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208826 1384985621 /nfs/dbraw/zinc/98/56/21/1384985621.db2.gz LUOBHTXSCNTKOU-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317208826 1384985623 /nfs/dbraw/zinc/98/56/23/1384985623.db2.gz LUOBHTXSCNTKOU-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317328015 1385084088 /nfs/dbraw/zinc/08/40/88/1385084088.db2.gz ZCWKRGSNTDYLLX-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445881 1385146371 /nfs/dbraw/zinc/14/63/71/1385146371.db2.gz MKZSNKIYUCIGBR-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317445881 1385146374 /nfs/dbraw/zinc/14/63/74/1385146374.db2.gz MKZSNKIYUCIGBR-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317445881 1385146376 /nfs/dbraw/zinc/14/63/76/1385146376.db2.gz MKZSNKIYUCIGBR-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001317678134 1385386385 /nfs/dbraw/zinc/38/63/85/1385386385.db2.gz VPTHFMJCMKNZCG-ICSRJNTNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317977994 1385596221 /nfs/dbraw/zinc/59/62/21/1385596221.db2.gz SPCMIKMATJGDIU-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001332959926 1390224550 /nfs/dbraw/zinc/22/45/50/1390224550.db2.gz FPXHKJFBJNYOHU-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001479747627 1392364537 /nfs/dbraw/zinc/36/45/37/1392364537.db2.gz CMAAPUXVIWDBBO-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747627 1392364539 /nfs/dbraw/zinc/36/45/39/1392364539.db2.gz CMAAPUXVIWDBBO-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747627 1392364542 /nfs/dbraw/zinc/36/45/42/1392364542.db2.gz CMAAPUXVIWDBBO-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001481350551 1393172881 /nfs/dbraw/zinc/17/28/81/1393172881.db2.gz MDVOOLGRIOGHDH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001481350551 1393172884 /nfs/dbraw/zinc/17/28/84/1393172884.db2.gz MDVOOLGRIOGHDH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001481350551 1393172886 /nfs/dbraw/zinc/17/28/86/1393172886.db2.gz MDVOOLGRIOGHDH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001698935171 1406674428 /nfs/dbraw/zinc/67/44/28/1406674428.db2.gz NRHYOSCDPQNADM-IEBWSBKVSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482409858 1394974414 /nfs/dbraw/zinc/97/44/14/1394974414.db2.gz RIOKTQDHAMYPNC-MOPGFXCFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001482506203 1395059534 /nfs/dbraw/zinc/05/95/34/1395059534.db2.gz RJVVFGHTLFLWQX-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001482506203 1395059535 /nfs/dbraw/zinc/05/95/35/1395059535.db2.gz RJVVFGHTLFLWQX-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001482506203 1395059541 /nfs/dbraw/zinc/05/95/41/1395059541.db2.gz RJVVFGHTLFLWQX-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174405 1395319930 /nfs/dbraw/zinc/31/99/30/1395319930.db2.gz LGGLYYXXOMHMFS-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174405 1395319935 /nfs/dbraw/zinc/31/99/35/1395319935.db2.gz LGGLYYXXOMHMFS-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001485658876 1396089512 /nfs/dbraw/zinc/08/95/12/1396089512.db2.gz ZQKUZSAVHXSMRC-UFYCRDLUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001502947648 1396234265 /nfs/dbraw/zinc/23/42/65/1396234265.db2.gz FPOUQJDLACOBAE-MOPGFXCFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(Cl)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001689134870 1396940898 /nfs/dbraw/zinc/94/08/98/1396940898.db2.gz LZKCUVWTDDAWSH-NVXWUHKLSA-N 2 1 343.943 3.076 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690826592 1404764398 /nfs/dbraw/zinc/76/43/98/1404764398.db2.gz KIMCYUNELVBCBZ-FQEVSTJZSA-N 2 1 343.515 3.251 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001725748447 1426426897 /nfs/dbraw/zinc/42/68/97/1426426897.db2.gz ALIGDZAWUHMTJN-RTBURBONSA-N 2 1 345.531 3.376 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001691434876 1405267961 /nfs/dbraw/zinc/26/79/61/1405267961.db2.gz SKKGBEIMHHWTOF-YZGWKJHDSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001691671635 1405406386 /nfs/dbraw/zinc/40/63/86/1405406386.db2.gz KVJAMDHPSDQBAF-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001691673426 1405407110 /nfs/dbraw/zinc/40/71/10/1405407110.db2.gz XGRRGMLHBZIQAZ-ICSRJNTNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691890101 1405613505 /nfs/dbraw/zinc/61/35/05/1405613505.db2.gz UWMVJOPOIKISOA-DLBZAZTESA-N 2 1 335.536 3.090 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001733598972 1429799411 /nfs/dbraw/zinc/79/94/11/1429799411.db2.gz VQCJAAQWVZZGDQ-QRVBRYPASA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001733598972 1429799416 /nfs/dbraw/zinc/79/94/16/1429799416.db2.gz VQCJAAQWVZZGDQ-QRVBRYPASA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001733598972 1429799405 /nfs/dbraw/zinc/79/94/05/1429799405.db2.gz VQCJAAQWVZZGDQ-QRVBRYPASA-N 2 1 335.536 3.116 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001732321580 1428531056 /nfs/dbraw/zinc/53/10/56/1428531056.db2.gz MDUOAVQPCODRLU-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001732331082 1428537398 /nfs/dbraw/zinc/53/73/98/1428537398.db2.gz JVNYECFHHFOHNJ-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001732331082 1428537401 /nfs/dbraw/zinc/53/74/01/1428537401.db2.gz JVNYECFHHFOHNJ-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001732331082 1428537402 /nfs/dbraw/zinc/53/74/02/1428537402.db2.gz JVNYECFHHFOHNJ-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001732325591 1428534075 /nfs/dbraw/zinc/53/40/75/1428534075.db2.gz VQDBNKASMHDGMB-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001699763438 1413168695 /nfs/dbraw/zinc/16/86/95/1413168695.db2.gz LSMVSSIEQFPCLQ-ICSRJNTNSA-N 2 1 335.536 3.023 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001699874394 1413327939 /nfs/dbraw/zinc/32/79/39/1413327939.db2.gz OQVQOUYNCHVUCR-CTNGQTDRSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001699874394 1413327943 /nfs/dbraw/zinc/32/79/43/1413327943.db2.gz OQVQOUYNCHVUCR-CTNGQTDRSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001699874394 1413327947 /nfs/dbraw/zinc/32/79/47/1413327947.db2.gz OQVQOUYNCHVUCR-CTNGQTDRSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001699879839 1413346084 /nfs/dbraw/zinc/34/60/84/1413346084.db2.gz ZGZMVRMKXJKJNN-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354734 1413854408 /nfs/dbraw/zinc/85/44/08/1413854408.db2.gz UUKNFOLDNJDRMQ-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001700512602 1414162568 /nfs/dbraw/zinc/16/25/68/1414162568.db2.gz ZOYXYFBCHLBKHX-CEXWTWQISA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001700995168 1414642780 /nfs/dbraw/zinc/64/27/80/1414642780.db2.gz GECFCCMVIBSVSI-QZTJIDSGSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001707265896 1417273100 /nfs/dbraw/zinc/27/31/00/1417273100.db2.gz XEEBJFRHRZXLQT-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001707265896 1417273103 /nfs/dbraw/zinc/27/31/03/1417273103.db2.gz XEEBJFRHRZXLQT-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001707265896 1417273106 /nfs/dbraw/zinc/27/31/06/1417273106.db2.gz XEEBJFRHRZXLQT-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001707265896 1417273108 /nfs/dbraw/zinc/27/31/08/1417273108.db2.gz XEEBJFRHRZXLQT-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001713095957 1417645334 /nfs/dbraw/zinc/64/53/34/1417645334.db2.gz VZJFFFLRZAASHC-SFHVURJKSA-N 2 1 346.519 3.133 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136244 1417718054 /nfs/dbraw/zinc/71/80/54/1417718054.db2.gz BEAKJGDFYLUXNJ-QUCCMNQESA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136244 1417718057 /nfs/dbraw/zinc/71/80/57/1417718057.db2.gz BEAKJGDFYLUXNJ-QUCCMNQESA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713258018 1417861821 /nfs/dbraw/zinc/86/18/21/1417861821.db2.gz OMSZMBSOICYILV-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713259474 1417867442 /nfs/dbraw/zinc/86/74/42/1417867442.db2.gz UFJYHHMWRPAVRZ-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752299 1418553709 /nfs/dbraw/zinc/55/37/09/1418553709.db2.gz MDHVIZGBXKNOCR-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713934287 1418724013 /nfs/dbraw/zinc/72/40/13/1418724013.db2.gz PHMAWLGLLGVTGO-SLFFLAALSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713934287 1418724015 /nfs/dbraw/zinc/72/40/15/1418724015.db2.gz PHMAWLGLLGVTGO-SLFFLAALSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713934287 1418724017 /nfs/dbraw/zinc/72/40/17/1418724017.db2.gz PHMAWLGLLGVTGO-SLFFLAALSA-N 2 1 347.547 3.138 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715484294 1420164215 /nfs/dbraw/zinc/16/42/15/1420164215.db2.gz GICLPUVTCAJZMB-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717034895 1421088616 /nfs/dbraw/zinc/08/86/16/1421088616.db2.gz CUCHBQWUEBRFKN-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001717034895 1421088619 /nfs/dbraw/zinc/08/86/19/1421088619.db2.gz CUCHBQWUEBRFKN-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001717034895 1421088623 /nfs/dbraw/zinc/08/86/23/1421088623.db2.gz CUCHBQWUEBRFKN-HSALFYBXSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717123489 1421126138 /nfs/dbraw/zinc/12/61/38/1421126138.db2.gz YJCIYQNMSYHQCH-HVTWWXFQSA-N 2 1 349.563 3.336 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717980046 1421751274 /nfs/dbraw/zinc/75/12/74/1421751274.db2.gz SVABXJHMOQASOK-QUCCMNQESA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001733393304 1429585566 /nfs/dbraw/zinc/58/55/66/1429585566.db2.gz RRGOVQKUNNSFCU-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733393304 1429585570 /nfs/dbraw/zinc/58/55/70/1429585570.db2.gz RRGOVQKUNNSFCU-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733393304 1429585572 /nfs/dbraw/zinc/58/55/72/1429585572.db2.gz RRGOVQKUNNSFCU-NRFANRHFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001723692294 1424532920 /nfs/dbraw/zinc/53/29/20/1424532920.db2.gz XCRNGGATQBEYND-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001724745461 1425114093 /nfs/dbraw/zinc/11/40/93/1425114093.db2.gz IUUCFNOKFHPZPI-FXAWDEMLSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001724759203 1425129658 /nfs/dbraw/zinc/12/96/58/1425129658.db2.gz GJASROCLSCIMGW-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001724870344 1425253273 /nfs/dbraw/zinc/25/32/73/1425253273.db2.gz YIRFWAHQWRTEFS-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870344 1425253274 /nfs/dbraw/zinc/25/32/74/1425253274.db2.gz YIRFWAHQWRTEFS-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001724870344 1425253278 /nfs/dbraw/zinc/25/32/78/1425253278.db2.gz YIRFWAHQWRTEFS-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001725025175 1425441880 /nfs/dbraw/zinc/44/18/80/1425441880.db2.gz CLKYOFLSDZTSHW-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001725025175 1425441885 /nfs/dbraw/zinc/44/18/85/1425441885.db2.gz CLKYOFLSDZTSHW-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001725025175 1425441888 /nfs/dbraw/zinc/44/18/88/1425441888.db2.gz CLKYOFLSDZTSHW-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731500929 1427481625 /nfs/dbraw/zinc/48/16/25/1427481625.db2.gz FONMJTDZDPWKHL-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731500929 1427481629 /nfs/dbraw/zinc/48/16/29/1427481629.db2.gz FONMJTDZDPWKHL-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731500929 1427481632 /nfs/dbraw/zinc/48/16/32/1427481632.db2.gz FONMJTDZDPWKHL-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562193 1427599702 /nfs/dbraw/zinc/59/97/02/1427599702.db2.gz XPCZUKUZTQSEGO-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760356 1429974644 /nfs/dbraw/zinc/97/46/44/1429974644.db2.gz KGIYZJFIUPXVMX-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153631 1437920860 /nfs/dbraw/zinc/92/08/60/1437920860.db2.gz JEZACPJPFKDUSQ-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192457 1437933685 /nfs/dbraw/zinc/93/36/85/1437933685.db2.gz FIEOGXREJDHHQT-FHWLQOOXSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192457 1437933686 /nfs/dbraw/zinc/93/36/86/1437933686.db2.gz FIEOGXREJDHHQT-FHWLQOOXSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192457 1437933687 /nfs/dbraw/zinc/93/36/87/1437933687.db2.gz FIEOGXREJDHHQT-FHWLQOOXSA-N 2 1 349.563 3.147 10 30 EGEEMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000268540971 252007576 /nfs/dbraw/zinc/00/75/76/252007576.db2.gz LAYZRKACFUWYJW-GOSISDBHSA-N 2 1 327.472 3.276 10 30 EGEEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000268540971 252007579 /nfs/dbraw/zinc/00/75/79/252007579.db2.gz LAYZRKACFUWYJW-GOSISDBHSA-N 2 1 327.472 3.276 10 30 EGEEMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717933 460578158 /nfs/dbraw/zinc/57/81/58/460578158.db2.gz UJDVCISZPRQXMK-FXAWDEMLSA-N 2 1 341.499 3.063 10 30 EGEEMP C=CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237668494 455205199 /nfs/dbraw/zinc/20/51/99/455205199.db2.gz CQPITVPHFWJPTJ-HDICACEKSA-N 2 1 332.488 3.230 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415033839 458327551 /nfs/dbraw/zinc/32/75/51/458327551.db2.gz CCKIIGYWWNAHJC-QZTJIDSGSA-N 2 1 330.472 3.224 10 30 EGEEMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000592404486 459595927 /nfs/dbraw/zinc/59/59/27/459595927.db2.gz YQOXRNWFLODDRZ-HJNYFJLDSA-N 2 1 331.463 3.481 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1(C)C ZINC000598978995 460114232 /nfs/dbraw/zinc/11/42/32/460114232.db2.gz YOVUZQJTRXVSEM-ADKAHSJRSA-N 2 1 342.487 3.106 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886628440 1303530934 /nfs/dbraw/zinc/53/09/34/1303530934.db2.gz QORAQPMPUJLGRA-WHZJULEDSA-N 2 1 326.484 3.220 10 30 EGEEMP CSc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1C#N ZINC000925775032 1325294449 /nfs/dbraw/zinc/29/44/49/1325294449.db2.gz YYIUNDVIBMYQKX-KBXCAEBGSA-N 2 1 325.481 3.328 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801299 1331199017 /nfs/dbraw/zinc/19/90/17/1331199017.db2.gz RUMNZCNNYNGZIJ-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801299 1331199018 /nfs/dbraw/zinc/19/90/18/1331199018.db2.gz RUMNZCNNYNGZIJ-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801299 1331199021 /nfs/dbraw/zinc/19/90/21/1331199021.db2.gz RUMNZCNNYNGZIJ-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001323721037 1387430411 /nfs/dbraw/zinc/43/04/11/1387430411.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 1 346.519 3.305 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001323721037 1387430414 /nfs/dbraw/zinc/43/04/14/1387430414.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 1 346.519 3.305 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCCC1 ZINC001323721037 1387430416 /nfs/dbraw/zinc/43/04/16/1387430416.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 1 346.519 3.305 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001323992559 1387505854 /nfs/dbraw/zinc/50/58/54/1387505854.db2.gz DIUVVVLAMDZKFV-PKOBYXMFSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001323992559 1387505858 /nfs/dbraw/zinc/50/58/58/1387505858.db2.gz DIUVVVLAMDZKFV-PKOBYXMFSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001325630186 1388016058 /nfs/dbraw/zinc/01/60/58/1388016058.db2.gz SXDZTBBWZRNEAN-KNJMJIDISA-N 2 1 349.563 3.287 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149297 1388406449 /nfs/dbraw/zinc/40/64/49/1388406449.db2.gz XXGIQIYDVODSTO-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001327149297 1388406454 /nfs/dbraw/zinc/40/64/54/1388406454.db2.gz XXGIQIYDVODSTO-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001327149297 1388406455 /nfs/dbraw/zinc/40/64/55/1388406455.db2.gz XXGIQIYDVODSTO-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111211 1377189922 /nfs/dbraw/zinc/18/99/22/1377189922.db2.gz YDFBBVDJGFCOJO-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266111211 1377189923 /nfs/dbraw/zinc/18/99/23/1377189923.db2.gz YDFBBVDJGFCOJO-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266111211 1377189924 /nfs/dbraw/zinc/18/99/24/1377189924.db2.gz YDFBBVDJGFCOJO-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516156 1377450871 /nfs/dbraw/zinc/45/08/71/1377450871.db2.gz AFWACPSDISWDOB-FXAWDEMLSA-N 2 1 343.515 3.085 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284067822 1379425955 /nfs/dbraw/zinc/42/59/55/1379425955.db2.gz CGMHLWJWNYAXEI-QWFCFKBJSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001284067822 1379425959 /nfs/dbraw/zinc/42/59/59/1379425959.db2.gz CGMHLWJWNYAXEI-QWFCFKBJSA-N 2 1 335.536 3.022 10 30 EGEEMP 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ZINC001328577627 1388779621 /nfs/dbraw/zinc/77/96/21/1388779621.db2.gz IRFVOORPSQQTMR-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001328577627 1388779625 /nfs/dbraw/zinc/77/96/25/1388779625.db2.gz IRFVOORPSQQTMR-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001328577627 1388779627 /nfs/dbraw/zinc/77/96/27/1388779627.db2.gz IRFVOORPSQQTMR-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001316742704 1384555922 /nfs/dbraw/zinc/55/59/22/1384555922.db2.gz SWPRXPMIUSCJRT-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001316742704 1384555925 /nfs/dbraw/zinc/55/59/25/1384555925.db2.gz SWPRXPMIUSCJRT-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811696 1384609459 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2 1 337.552 3.079 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001329893094 1389248724 /nfs/dbraw/zinc/24/87/24/1389248724.db2.gz LHYUWDAMODSJRJ-APWZRJJASA-N 2 1 341.515 3.040 10 30 EGEEMP C#CC[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001330722254 1389509374 /nfs/dbraw/zinc/50/93/74/1389509374.db2.gz WOKKNVFEVHMGGU-UHFFFAOYSA-N 2 1 346.412 3.477 10 30 EGEEMP C#CC[N@H+](CC1CC(F)(F)C1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001330722254 1389509375 /nfs/dbraw/zinc/50/93/75/1389509375.db2.gz WOKKNVFEVHMGGU-UHFFFAOYSA-N 2 1 346.412 3.477 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001479612485 1392287423 /nfs/dbraw/zinc/28/74/23/1392287423.db2.gz JRCNYLSKDYFLNL-YZGWKJHDSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480301597 1392666603 /nfs/dbraw/zinc/66/66/03/1392666603.db2.gz XEFUAXWMNOYILF-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001480403302 1392742098 /nfs/dbraw/zinc/74/20/98/1392742098.db2.gz RZDMLVZPDJUDKE-LMDPOFIKSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829937 1392969519 /nfs/dbraw/zinc/96/95/19/1392969519.db2.gz PXBXGCUGROQUNX-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001698930572 1406667178 /nfs/dbraw/zinc/66/71/78/1406667178.db2.gz CDZFGUPSAXKGAD-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461397 1394317419 /nfs/dbraw/zinc/31/74/19/1394317419.db2.gz BXDGFBQWGRWDBR-VQTJNVASSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001481516936 1394365156 /nfs/dbraw/zinc/36/51/56/1394365156.db2.gz RJJSZHFCTQCVBP-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001481516936 1394365159 /nfs/dbraw/zinc/36/51/59/1394365159.db2.gz RJJSZHFCTQCVBP-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001481516936 1394365165 /nfs/dbraw/zinc/36/51/65/1394365165.db2.gz RJJSZHFCTQCVBP-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482005454 1394665575 /nfs/dbraw/zinc/66/55/75/1394665575.db2.gz OVMCBLITCAMSKF-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001482051426 1394715078 /nfs/dbraw/zinc/71/50/78/1394715078.db2.gz AZGONCBAAMWONZ-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001482474281 1395028668 /nfs/dbraw/zinc/02/86/68/1395028668.db2.gz SMFYHRJYHNEEKO-ROUUACIJSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001484139843 1395276560 /nfs/dbraw/zinc/27/65/60/1395276560.db2.gz CJAOTVLKPOBWPS-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486235664 1396186174 /nfs/dbraw/zinc/18/61/74/1396186174.db2.gz DOGNAGVOMRKDJX-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001699008408 1406834309 /nfs/dbraw/zinc/83/43/09/1406834309.db2.gz IVNXSDPAHPLLNL-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001690040082 1404274896 /nfs/dbraw/zinc/27/48/96/1404274896.db2.gz GRCJYYPLEGRLQR-WBVHZDCISA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001690040082 1404274897 /nfs/dbraw/zinc/27/48/97/1404274897.db2.gz GRCJYYPLEGRLQR-WBVHZDCISA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001690135084 1404332020 /nfs/dbraw/zinc/33/20/20/1404332020.db2.gz AVTURLJVCCGIHF-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001690448666 1404573643 /nfs/dbraw/zinc/57/36/43/1404573643.db2.gz OLSAQLRTBXVHGU-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001690448666 1404573644 /nfs/dbraw/zinc/57/36/44/1404573644.db2.gz OLSAQLRTBXVHGU-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001690448666 1404573646 /nfs/dbraw/zinc/57/36/46/1404573646.db2.gz OLSAQLRTBXVHGU-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001690448666 1404573648 /nfs/dbraw/zinc/57/36/48/1404573648.db2.gz OLSAQLRTBXVHGU-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691434871 1405267902 /nfs/dbraw/zinc/26/79/02/1405267902.db2.gz SKKGBEIMHHWTOF-MISYRCLQSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001691628734 1405366070 /nfs/dbraw/zinc/36/60/70/1405366070.db2.gz BHUYKKWLOPLXOM-UXHICEINSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001691818466 1405533226 /nfs/dbraw/zinc/53/32/26/1405533226.db2.gz CWVKVVFYKZUPAQ-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818466 1405533229 /nfs/dbraw/zinc/53/32/29/1405533229.db2.gz CWVKVVFYKZUPAQ-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818466 1405533232 /nfs/dbraw/zinc/53/32/32/1405533232.db2.gz CWVKVVFYKZUPAQ-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691874453 1405597873 /nfs/dbraw/zinc/59/78/73/1405597873.db2.gz ADVSHDSBQKXYDJ-GBESFXJTSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691899268 1405621452 /nfs/dbraw/zinc/62/14/52/1405621452.db2.gz RBPBNJHAAOPTOP-HSALFYBXSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001692121034 1405783592 /nfs/dbraw/zinc/78/35/92/1405783592.db2.gz MPOZYALWWIWZRY-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138567 1405793833 /nfs/dbraw/zinc/79/38/33/1405793833.db2.gz BMCRUGKWUOZUID-QRQLOZEOSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138567 1405793836 /nfs/dbraw/zinc/79/38/36/1405793836.db2.gz BMCRUGKWUOZUID-QRQLOZEOSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138567 1405793839 /nfs/dbraw/zinc/79/38/39/1405793839.db2.gz BMCRUGKWUOZUID-QRQLOZEOSA-N 2 1 349.563 3.146 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276308 1405909986 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349.563 3.338 10 30 EGEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001699681198 1413075712 /nfs/dbraw/zinc/07/57/12/1413075712.db2.gz LRDKOKXLSSHWNB-YQQQUEKLSA-N 2 1 344.503 3.050 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699875209 1413330130 /nfs/dbraw/zinc/33/01/30/1413330130.db2.gz SXTGDVQJDPWLEA-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699875209 1413330133 /nfs/dbraw/zinc/33/01/33/1413330133.db2.gz SXTGDVQJDPWLEA-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699875209 1413330139 /nfs/dbraw/zinc/33/01/39/1413330139.db2.gz SXTGDVQJDPWLEA-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001732551124 1428734134 /nfs/dbraw/zinc/73/41/34/1428734134.db2.gz SDQSLBSSQAORMT-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP 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ZINC001701049365 1414705710 /nfs/dbraw/zinc/70/57/10/1414705710.db2.gz BAKVSXXMKRKVDQ-UHFFFAOYSA-N 2 1 347.528 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001707163288 1417226179 /nfs/dbraw/zinc/22/61/79/1417226179.db2.gz JKKUHXCRODSEDT-AABGKKOBSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001707273306 1417280433 /nfs/dbraw/zinc/28/04/33/1417280433.db2.gz SGYDAJUXNLLJTM-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001707273306 1417280436 /nfs/dbraw/zinc/28/04/36/1417280436.db2.gz SGYDAJUXNLLJTM-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001707273306 1417280439 /nfs/dbraw/zinc/28/04/39/1417280439.db2.gz SGYDAJUXNLLJTM-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001713414513 1418038083 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2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001713766456 1418580673 /nfs/dbraw/zinc/58/06/73/1418580673.db2.gz AFHQISKCSDPYKT-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001713766456 1418580674 /nfs/dbraw/zinc/58/06/74/1418580674.db2.gz AFHQISKCSDPYKT-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001713766456 1418580677 /nfs/dbraw/zinc/58/06/77/1418580677.db2.gz AFHQISKCSDPYKT-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713892281 1418689346 /nfs/dbraw/zinc/68/93/46/1418689346.db2.gz UDFJAZGNAYTJIG-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713892281 1418689351 /nfs/dbraw/zinc/68/93/51/1418689351.db2.gz UDFJAZGNAYTJIG-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713892281 1418689354 /nfs/dbraw/zinc/68/93/54/1418689354.db2.gz UDFJAZGNAYTJIG-GOSISDBHSA-N 2 1 349.563 3.386 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714001008 1418781457 /nfs/dbraw/zinc/78/14/57/1418781457.db2.gz NYTTZZSJUBCITJ-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001714001008 1418781458 /nfs/dbraw/zinc/78/14/58/1418781458.db2.gz NYTTZZSJUBCITJ-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714001008 1418781461 /nfs/dbraw/zinc/78/14/61/1418781461.db2.gz NYTTZZSJUBCITJ-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001714330449 1419109857 /nfs/dbraw/zinc/10/98/57/1419109857.db2.gz LPBOGOCNIMSTRB-VQTJNVASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001714912515 1419660261 /nfs/dbraw/zinc/66/02/61/1419660261.db2.gz FVSRNBCBPSBSBY-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001714912515 1419660264 /nfs/dbraw/zinc/66/02/64/1419660264.db2.gz FVSRNBCBPSBSBY-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001714912515 1419660266 /nfs/dbraw/zinc/66/02/66/1419660266.db2.gz FVSRNBCBPSBSBY-HXUWFJFHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001715095360 1419836111 /nfs/dbraw/zinc/83/61/11/1419836111.db2.gz RGWOSZUHZRZQHE-OKZBNKHCSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001715156178 1419899355 /nfs/dbraw/zinc/89/93/55/1419899355.db2.gz SZQIZJHHZIJMAF-SFHVURJKSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001715179253 1419914335 /nfs/dbraw/zinc/91/43/35/1419914335.db2.gz XUWPIBCLLQOUNG-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715456544 1420137412 /nfs/dbraw/zinc/13/74/12/1420137412.db2.gz LRPAPDBUHGBBMW-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715480230 1420158627 /nfs/dbraw/zinc/15/86/27/1420158627.db2.gz WTQPMRNXOQECCS-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001733268159 1429429219 /nfs/dbraw/zinc/42/92/19/1429429219.db2.gz HFCDBGLOOHXAMT-KOQQBVACSA-N 2 1 347.547 3.327 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270145 1429432720 /nfs/dbraw/zinc/43/27/20/1429432720.db2.gz WGIFZBNUZARLQW-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716516071 1420745693 /nfs/dbraw/zinc/74/56/93/1420745693.db2.gz MWRWJTPUWIUPHM-AZUAARDMSA-N 2 1 349.563 3.482 10 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1421167830 /nfs/dbraw/zinc/16/78/30/1421167830.db2.gz JYQKIXXFAVLCBQ-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717200610 1421167832 /nfs/dbraw/zinc/16/78/32/1421167832.db2.gz JYQKIXXFAVLCBQ-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717200609 1421167977 /nfs/dbraw/zinc/16/79/77/1421167977.db2.gz JYQKIXXFAVLCBQ-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717200609 1421167979 /nfs/dbraw/zinc/16/79/79/1421167979.db2.gz JYQKIXXFAVLCBQ-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717200609 1421167981 /nfs/dbraw/zinc/16/79/81/1421167981.db2.gz JYQKIXXFAVLCBQ-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717200608 1421168088 /nfs/dbraw/zinc/16/80/88/1421168088.db2.gz 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EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726270 1424551140 /nfs/dbraw/zinc/55/11/40/1424551140.db2.gz FVFLTFSIWHUBDF-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724322691 1424809993 /nfs/dbraw/zinc/80/99/93/1424809993.db2.gz GTMULONIEZQDHE-HXUWFJFHSA-N 2 1 340.471 3.051 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724325078 1424813622 /nfs/dbraw/zinc/81/36/22/1424813622.db2.gz UZOFVPGWMJPIHL-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325078 1424813626 /nfs/dbraw/zinc/81/36/26/1424813626.db2.gz UZOFVPGWMJPIHL-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325078 1424813634 /nfs/dbraw/zinc/81/36/34/1424813634.db2.gz UZOFVPGWMJPIHL-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP 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ZINC000883167256 1302282026 /nfs/dbraw/zinc/28/20/26/1302282026.db2.gz UDLZMDSBIXTSHK-LEWJYISDSA-N 2 1 344.499 3.122 10 30 EGEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865547346 1329712150 /nfs/dbraw/zinc/71/21/50/1329712150.db2.gz BYLFHSYHJYNJCC-HXUWFJFHSA-N 2 1 348.494 3.236 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075956 1331322735 /nfs/dbraw/zinc/32/27/35/1331322735.db2.gz RMIZAJFHXZNISD-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001323720996 1387429729 /nfs/dbraw/zinc/42/97/29/1387429729.db2.gz ATDGAZWLXPNZHY-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001323720996 1387429732 /nfs/dbraw/zinc/42/97/32/1387429732.db2.gz ATDGAZWLXPNZHY-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001323720996 1387429744 /nfs/dbraw/zinc/42/97/44/1387429744.db2.gz ATDGAZWLXPNZHY-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCCC1 ZINC001323721383 1387431173 /nfs/dbraw/zinc/43/11/73/1387431173.db2.gz FYGNWVYIFMGVIE-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CCCCCC1 ZINC001323721383 1387431175 /nfs/dbraw/zinc/43/11/75/1387431175.db2.gz FYGNWVYIFMGVIE-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CCCCCC1 ZINC001323721383 1387431178 /nfs/dbraw/zinc/43/11/78/1387431178.db2.gz FYGNWVYIFMGVIE-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001324870516 1387798260 /nfs/dbraw/zinc/79/82/60/1387798260.db2.gz YUCJDDOSAZCDSQ-LJQANCHMSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251836 1377248360 /nfs/dbraw/zinc/24/83/60/1377248360.db2.gz HIMLCISSXXNDRD-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309958 1388495128 /nfs/dbraw/zinc/49/51/28/1388495128.db2.gz ZWWAQIPTXJZKHZ-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001268045126 1377483819 /nfs/dbraw/zinc/48/38/19/1377483819.db2.gz RPWMNUGOPVZPDF-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001327478701 1388530681 /nfs/dbraw/zinc/53/06/81/1388530681.db2.gz LWRXFTUCYNPAHR-RBUKOAKNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001327498575 1388536426 /nfs/dbraw/zinc/53/64/26/1388536426.db2.gz CIIOAZKQOGPQDS-UHFFFAOYSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001327498575 1388536428 /nfs/dbraw/zinc/53/64/28/1388536428.db2.gz CIIOAZKQOGPQDS-UHFFFAOYSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001281683192 1378449084 /nfs/dbraw/zinc/44/90/84/1378449084.db2.gz NDFDGPBRMWUDPJ-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127822 1379503014 /nfs/dbraw/zinc/50/30/14/1379503014.db2.gz FQYAKYRMAFXENB-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001284127822 1379503019 /nfs/dbraw/zinc/50/30/19/1379503019.db2.gz FQYAKYRMAFXENB-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001284127822 1379503022 /nfs/dbraw/zinc/50/30/22/1379503022.db2.gz FQYAKYRMAFXENB-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101022 1388671958 /nfs/dbraw/zinc/67/19/58/1388671958.db2.gz DHEHQPKJIYBXFN-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101022 1388671961 /nfs/dbraw/zinc/67/19/61/1388671961.db2.gz DHEHQPKJIYBXFN-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101022 1388671962 /nfs/dbraw/zinc/67/19/62/1388671962.db2.gz DHEHQPKJIYBXFN-KRWDZBQOSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1OC ZINC001308552762 1384132412 /nfs/dbraw/zinc/13/24/12/1384132412.db2.gz GGTZBDUTPRTVQF-OKZBNKHCSA-N 2 1 330.472 3.080 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001317678136 1385385897 /nfs/dbraw/zinc/38/58/97/1385385897.db2.gz VPTHFMJCMKNZCG-UYAOXDASSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001319352371 1386075192 /nfs/dbraw/zinc/07/51/92/1386075192.db2.gz SWQOXWVURFWUEK-GOSISDBHSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001698627813 1406270236 /nfs/dbraw/zinc/27/02/36/1406270236.db2.gz WEHFVBOXTJHOGL-SFHVURJKSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001329239903 1389031018 /nfs/dbraw/zinc/03/10/18/1389031018.db2.gz BFYXOGPAOFPTBB-UHFFFAOYSA-N 2 1 335.536 3.185 10 30 EGEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001329240920 1389032259 /nfs/dbraw/zinc/03/22/59/1389032259.db2.gz NRJMRRHYINYTDV-UHFFFAOYSA-N 2 1 347.547 3.024 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001332960532 1390225041 /nfs/dbraw/zinc/22/50/41/1390225041.db2.gz VNKLJPGPYBPQCJ-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001698800559 1406475432 /nfs/dbraw/zinc/47/54/32/1406475432.db2.gz MEJKMBZNESIILZ-BZSNNMDCSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001479996512 1392528028 /nfs/dbraw/zinc/52/80/28/1392528028.db2.gz KYQIZWJXBOIUCK-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087580 1392577215 /nfs/dbraw/zinc/57/72/15/1392577215.db2.gz OJFJPISAGGISEV-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480301593 1392666905 /nfs/dbraw/zinc/66/69/05/1392666905.db2.gz XEFUAXWMNOYILF-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372389 1392714425 /nfs/dbraw/zinc/71/44/25/1392714425.db2.gz JZNTXBMPTSXKIP-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372389 1392714427 /nfs/dbraw/zinc/71/44/27/1392714427.db2.gz JZNTXBMPTSXKIP-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001480403303 1392741900 /nfs/dbraw/zinc/74/19/00/1392741900.db2.gz RZDMLVZPDJUDKE-VIQWUECVSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335208 1393165974 /nfs/dbraw/zinc/16/59/74/1393165974.db2.gz SASFKBWSXDIDSB-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001698930570 1406667145 /nfs/dbraw/zinc/66/71/45/1406667145.db2.gz CDZFGUPSAXKGAD-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001698935172 1406674726 /nfs/dbraw/zinc/67/47/26/1406674726.db2.gz NRHYOSCDPQNADM-MJGOQNOKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481490594 1394335751 /nfs/dbraw/zinc/33/57/51/1394335751.db2.gz HSVTZQPJUMOUMH-KRWDZBQOSA-N 2 1 340.471 3.003 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001481529590 1394384628 /nfs/dbraw/zinc/38/46/28/1394384628.db2.gz KAZOXKACTATWTI-QUCCMNQESA-N 2 1 335.536 3.023 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001481529590 1394384633 /nfs/dbraw/zinc/38/46/33/1394384633.db2.gz KAZOXKACTATWTI-QUCCMNQESA-N 2 1 335.536 3.023 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001481529590 1394384636 /nfs/dbraw/zinc/38/46/36/1394384636.db2.gz KAZOXKACTATWTI-QUCCMNQESA-N 2 1 335.536 3.023 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001485030852 1395645379 /nfs/dbraw/zinc/64/53/79/1395645379.db2.gz LTGODGQXOWMRTI-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001485030852 1395645392 /nfs/dbraw/zinc/64/53/92/1395645392.db2.gz LTGODGQXOWMRTI-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001485030852 1395645398 /nfs/dbraw/zinc/64/53/98/1395645398.db2.gz LTGODGQXOWMRTI-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC001485570329 1396036433 /nfs/dbraw/zinc/03/64/33/1396036433.db2.gz RBEHIGFTOGIUIM-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570329 1396036438 /nfs/dbraw/zinc/03/64/38/1396036438.db2.gz RBEHIGFTOGIUIM-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570329 1396036441 /nfs/dbraw/zinc/03/64/41/1396036441.db2.gz RBEHIGFTOGIUIM-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842884 1396499574 /nfs/dbraw/zinc/49/95/74/1396499574.db2.gz VCWLVAZOEKPXLI-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494842884 1396499577 /nfs/dbraw/zinc/49/95/77/1396499577.db2.gz VCWLVAZOEKPXLI-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494842884 1396499581 /nfs/dbraw/zinc/49/95/81/1396499581.db2.gz VCWLVAZOEKPXLI-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001690128778 1404323175 /nfs/dbraw/zinc/32/31/75/1404323175.db2.gz TUXNOFPSPYTPRR-RTBURBONSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001690459938 1404590980 /nfs/dbraw/zinc/59/09/80/1404590980.db2.gz WAYBRDXENUKOOJ-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163368 1405099296 /nfs/dbraw/zinc/09/92/96/1405099296.db2.gz UVVNHCQSLNTQPQ-HKUYNNGSSA-N 2 1 343.515 3.155 10 30 EGEEMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[N@H+](C)C(C)C)C1 ZINC001732081963 1428337506 /nfs/dbraw/zinc/33/75/06/1428337506.db2.gz KPBPTQHREQOPCA-FQEVSTJZSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+](C)C(C)C)C1 ZINC001732081963 1428337511 /nfs/dbraw/zinc/33/75/11/1428337511.db2.gz KPBPTQHREQOPCA-FQEVSTJZSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+](C)C(C)C)C1 ZINC001732081963 1428337513 /nfs/dbraw/zinc/33/75/13/1428337513.db2.gz KPBPTQHREQOPCA-FQEVSTJZSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733604717 1429814662 /nfs/dbraw/zinc/81/46/62/1429814662.db2.gz YNGQZNHHFQAGHJ-GUDVDZBRSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001732323459 1428532535 /nfs/dbraw/zinc/53/25/35/1428532535.db2.gz QLIKBZAOGDIBRA-HXUWFJFHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001699769965 1413175325 /nfs/dbraw/zinc/17/53/25/1413175325.db2.gz CFZZKIMZRYDQPF-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001699977987 1413421702 /nfs/dbraw/zinc/42/17/02/1413421702.db2.gz YSJAUNSROAMFFL-AKHDSKFASA-N 2 1 335.536 3.041 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001699977987 1413421703 /nfs/dbraw/zinc/42/17/03/1413421703.db2.gz YSJAUNSROAMFFL-AKHDSKFASA-N 2 1 335.536 3.041 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575413 1414249234 /nfs/dbraw/zinc/24/92/34/1414249234.db2.gz XFUFJWAIPWBKKJ-FHWLQOOXSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575413 1414249239 /nfs/dbraw/zinc/24/92/39/1414249239.db2.gz XFUFJWAIPWBKKJ-FHWLQOOXSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575413 1414249240 /nfs/dbraw/zinc/24/92/40/1414249240.db2.gz XFUFJWAIPWBKKJ-FHWLQOOXSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700641328 1414307248 /nfs/dbraw/zinc/30/72/48/1414307248.db2.gz UPBQQAKUGZASLZ-VJANTYMQSA-N 2 1 335.536 3.088 10 30 EGEEMP CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001701054697 1414710953 /nfs/dbraw/zinc/71/09/53/1414710953.db2.gz YKDBOGKSHJSJJC-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001701054697 1414710954 /nfs/dbraw/zinc/71/09/54/1414710954.db2.gz YKDBOGKSHJSJJC-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001701054697 1414710957 /nfs/dbraw/zinc/71/09/57/1414710957.db2.gz YKDBOGKSHJSJJC-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001712999936 1417552925 /nfs/dbraw/zinc/55/29/25/1417552925.db2.gz PDXDUKOISRJDOM-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713251478 1417842784 /nfs/dbraw/zinc/84/27/84/1417842784.db2.gz IUVBOCBJNVIWDN-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713251478 1417842787 /nfs/dbraw/zinc/84/27/87/1417842787.db2.gz IUVBOCBJNVIWDN-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713251478 1417842789 /nfs/dbraw/zinc/84/27/89/1417842789.db2.gz IUVBOCBJNVIWDN-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713252309 1417844999 /nfs/dbraw/zinc/84/49/99/1417844999.db2.gz WCIIBPZQKWUVFA-VQTJNVASSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713693011 1418446594 /nfs/dbraw/zinc/44/65/94/1418446594.db2.gz VPSSUUBXPWIASV-KRWDZBQOSA-N 2 1 343.943 3.219 10 30 EGEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001713693011 1418446596 /nfs/dbraw/zinc/44/65/96/1418446596.db2.gz VPSSUUBXPWIASV-KRWDZBQOSA-N 2 1 343.943 3.219 10 30 EGEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001713693011 1418446599 /nfs/dbraw/zinc/44/65/99/1418446599.db2.gz VPSSUUBXPWIASV-KRWDZBQOSA-N 2 1 343.943 3.219 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001713718553 1418486710 /nfs/dbraw/zinc/48/67/10/1418486710.db2.gz JHJYDASNAJBIAC-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001713718553 1418486715 /nfs/dbraw/zinc/48/67/15/1418486715.db2.gz JHJYDASNAJBIAC-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713718553 1418486719 /nfs/dbraw/zinc/48/67/19/1418486719.db2.gz JHJYDASNAJBIAC-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001713766754 1418580565 /nfs/dbraw/zinc/58/05/65/1418580565.db2.gz LUDNHRBYGWHDDP-UHFFFAOYSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001713766754 1418580569 /nfs/dbraw/zinc/58/05/69/1418580569.db2.gz LUDNHRBYGWHDDP-UHFFFAOYSA-N 2 1 346.519 3.143 10 30 EGEEMP 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335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690902346 1404810137 /nfs/dbraw/zinc/81/01/37/1404810137.db2.gz SUZLOVUXOFELFQ-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690902346 1404810142 /nfs/dbraw/zinc/81/01/42/1404810142.db2.gz SUZLOVUXOFELFQ-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691620615 1405361584 /nfs/dbraw/zinc/36/15/84/1405361584.db2.gz MIRBSJZZPWXVAR-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001691671639 1405406380 /nfs/dbraw/zinc/40/63/80/1405406380.db2.gz KVJAMDHPSDQBAF-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001692021347 1405739017 /nfs/dbraw/zinc/73/90/17/1405739017.db2.gz YSTBSGNMGLTDBR-BJLQDIEVSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001692021347 1405739024 /nfs/dbraw/zinc/73/90/24/1405739024.db2.gz YSTBSGNMGLTDBR-BJLQDIEVSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001692021347 1405739025 /nfs/dbraw/zinc/73/90/25/1405739025.db2.gz YSTBSGNMGLTDBR-BJLQDIEVSA-N 2 1 349.563 3.242 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001692203767 1405841360 /nfs/dbraw/zinc/84/13/60/1405841360.db2.gz SCHJZBBWRVLTDC-LJQANCHMSA-N 2 1 335.536 3.164 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001692203767 1405841365 /nfs/dbraw/zinc/84/13/65/1405841365.db2.gz SCHJZBBWRVLTDC-LJQANCHMSA-N 2 1 335.536 3.164 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001698577181 1406186655 /nfs/dbraw/zinc/18/66/55/1406186655.db2.gz OEPSKQNQNXBPEL-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001698577181 1406186659 /nfs/dbraw/zinc/18/66/59/1406186659.db2.gz OEPSKQNQNXBPEL-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577181 1406186661 /nfs/dbraw/zinc/18/66/61/1406186661.db2.gz OEPSKQNQNXBPEL-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577181 1406186664 /nfs/dbraw/zinc/18/66/64/1406186664.db2.gz OEPSKQNQNXBPEL-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183443 1413599573 /nfs/dbraw/zinc/59/95/73/1413599573.db2.gz DUNAOIJOIILIAA-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001700621212 1414290588 /nfs/dbraw/zinc/29/05/88/1414290588.db2.gz NJZRKHWNWFRVSQ-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC001700985343 1414626896 /nfs/dbraw/zinc/62/68/96/1414626896.db2.gz MOCDNAKOGCWTLM-JKSUJKDBSA-N 2 1 334.508 3.093 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001733693620 1429910831 /nfs/dbraw/zinc/91/08/31/1429910831.db2.gz PKLJWDYGKFYOQG-UHFFFAOYSA-N 2 1 349.563 3.366 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001707185796 1417235101 /nfs/dbraw/zinc/23/51/01/1417235101.db2.gz LIWLFVGVHBRBTC-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001707185796 1417235106 /nfs/dbraw/zinc/23/51/06/1417235106.db2.gz LIWLFVGVHBRBTC-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001707185796 1417235107 /nfs/dbraw/zinc/23/51/07/1417235107.db2.gz LIWLFVGVHBRBTC-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001713100902 1417653601 /nfs/dbraw/zinc/65/36/01/1417653601.db2.gz IXTGEXHDJUFRSC-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001713702312 1418460098 /nfs/dbraw/zinc/46/00/98/1418460098.db2.gz UAXDNARCASHAKT-YSIASYRMSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713730386 1418516148 /nfs/dbraw/zinc/51/61/48/1418516148.db2.gz OEVUGQKUNXPNRK-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713730386 1418516152 /nfs/dbraw/zinc/51/61/52/1418516152.db2.gz OEVUGQKUNXPNRK-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713730386 1418516155 /nfs/dbraw/zinc/51/61/55/1418516155.db2.gz OEVUGQKUNXPNRK-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713851638 1418648107 /nfs/dbraw/zinc/64/81/07/1418648107.db2.gz WMRXZRNQMGWQJX-MSOLQXFVSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001714043890 1418835733 /nfs/dbraw/zinc/83/57/33/1418835733.db2.gz DJPSOKHMEODMMD-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043890 1418835735 /nfs/dbraw/zinc/83/57/35/1418835735.db2.gz DJPSOKHMEODMMD-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043890 1418835738 /nfs/dbraw/zinc/83/57/38/1418835738.db2.gz DJPSOKHMEODMMD-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001733201836 1429306403 /nfs/dbraw/zinc/30/64/03/1429306403.db2.gz QNEMYXMXSQNWBW-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452629 1419185411 /nfs/dbraw/zinc/18/54/11/1419185411.db2.gz CELVOCCADADISZ-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001714845101 1419557332 /nfs/dbraw/zinc/55/73/32/1419557332.db2.gz ISTNHGYHPCYNLV-ZWKOTPCHSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001714845101 1419557335 /nfs/dbraw/zinc/55/73/35/1419557335.db2.gz ISTNHGYHPCYNLV-ZWKOTPCHSA-N 2 1 349.906 3.060 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715045392 1419785543 /nfs/dbraw/zinc/78/55/43/1419785543.db2.gz OGLZYIBAMAHMIS-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733269789 1429431398 /nfs/dbraw/zinc/43/13/98/1429431398.db2.gz RPKKGIYMWOFBND-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269789 1429431404 /nfs/dbraw/zinc/43/14/04/1429431404.db2.gz RPKKGIYMWOFBND-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269789 1429431406 /nfs/dbraw/zinc/43/14/06/1429431406.db2.gz RPKKGIYMWOFBND-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001716710421 1420863523 /nfs/dbraw/zinc/86/35/23/1420863523.db2.gz CKLAXKXCSKFNJC-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001716710421 1420863524 /nfs/dbraw/zinc/86/35/24/1420863524.db2.gz CKLAXKXCSKFNJC-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001716710421 1420863528 /nfs/dbraw/zinc/86/35/28/1420863528.db2.gz CKLAXKXCSKFNJC-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001716795119 1420927905 /nfs/dbraw/zinc/92/79/05/1420927905.db2.gz GJRMRTHBANJUDO-KRWDZBQOSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903110 1421036157 /nfs/dbraw/zinc/03/61/57/1421036157.db2.gz XETBRUDZLAOUAP-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903110 1421036158 /nfs/dbraw/zinc/03/61/58/1421036158.db2.gz XETBRUDZLAOUAP-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036396 1421090429 /nfs/dbraw/zinc/09/04/29/1421090429.db2.gz DIXGWUJHMDCOIH-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036396 1421090432 /nfs/dbraw/zinc/09/04/32/1421090432.db2.gz DIXGWUJHMDCOIH-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP CCCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717540370 1421480788 /nfs/dbraw/zinc/48/07/88/1421480788.db2.gz OJTKGTHGKXBGTE-LJQANCHMSA-N 2 1 349.563 3.413 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717624383 1421532955 /nfs/dbraw/zinc/53/29/55/1421532955.db2.gz QRLZOHXJYYBEMT-SLFFLAALSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001717627002 1421535792 /nfs/dbraw/zinc/53/57/92/1421535792.db2.gz KWEVXGNJFAZPQS-SLFFLAALSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001723616797 1424495083 /nfs/dbraw/zinc/49/50/83/1424495083.db2.gz DTZSQZRPISMQTN-YQQQUEKLSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001723633423 1424499761 /nfs/dbraw/zinc/49/97/61/1424499761.db2.gz XJPVIIMQYRPLQY-AABGKKOBSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001723633423 1424499766 /nfs/dbraw/zinc/49/97/66/1424499766.db2.gz XJPVIIMQYRPLQY-AABGKKOBSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001723633423 1424499770 /nfs/dbraw/zinc/49/97/70/1424499770.db2.gz XJPVIIMQYRPLQY-AABGKKOBSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724339984 1424832430 /nfs/dbraw/zinc/83/24/30/1424832430.db2.gz HJFLBBOOGDVHRL-NQIIRXRSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001724605628 1424938887 /nfs/dbraw/zinc/93/88/87/1424938887.db2.gz DMLIUBKRPIXVBJ-QWFCFKBJSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733567764 1429769816 /nfs/dbraw/zinc/76/98/16/1429769816.db2.gz UDPNJTXOMRAEBY-VAMGGRTRSA-N 2 1 349.563 3.197 10 30 EGEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001725611213 1426270077 /nfs/dbraw/zinc/27/00/77/1426270077.db2.gz WQXFRWZRMYLIPW-RXVVDRJESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001731516295 1427503677 /nfs/dbraw/zinc/50/36/77/1427503677.db2.gz OWACOHNUJDJTMZ-ZWKOTPCHSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001731520437 1427508145 /nfs/dbraw/zinc/50/81/45/1427508145.db2.gz GKSIQDLUEDPURM-ZCNNSNEGSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731526080 1427514593 /nfs/dbraw/zinc/51/45/93/1427514593.db2.gz LUILXJPQVPYRNN-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733898231 1437715497 /nfs/dbraw/zinc/71/54/97/1437715497.db2.gz IFWUEIZSCKBBEF-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001733941788 1437758236 /nfs/dbraw/zinc/75/82/36/1437758236.db2.gz QBGBQRJLVMDIRJ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001733941788 1437758237 /nfs/dbraw/zinc/75/82/37/1437758237.db2.gz QBGBQRJLVMDIRJ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001733941788 1437758238 /nfs/dbraw/zinc/75/82/38/1437758238.db2.gz QBGBQRJLVMDIRJ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001734209241 1437944137 /nfs/dbraw/zinc/94/41/37/1437944137.db2.gz WCJCBILQUKMYRN-FHWLQOOXSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001734441131 1438103153 /nfs/dbraw/zinc/10/31/53/1438103153.db2.gz BVKRBTWQXAVVRU-YZGWKJHDSA-N 2 1 347.547 3.044 10 30 EGEEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322130 /nfs/dbraw/zinc/32/21/30/455322130.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 2 1 346.525 3.339 10 30 EGEEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322133 /nfs/dbraw/zinc/32/21/33/455322133.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 2 1 346.525 3.339 10 30 EGEEMP C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693965 /nfs/dbraw/zinc/69/39/65/455693965.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 1 336.401 3.473 10 30 EGEEMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352852459 456363294 /nfs/dbraw/zinc/36/32/94/456363294.db2.gz KEQCUQRKAOWTFW-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352852459 456363299 /nfs/dbraw/zinc/36/32/99/456363299.db2.gz KEQCUQRKAOWTFW-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP C[C@H]1C[C@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000557537170 459082377 /nfs/dbraw/zinc/08/23/77/459082377.db2.gz IJORXDNVTKRBMA-RDJZCZTQSA-N 2 1 340.496 3.405 10 30 EGEEMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592074739 459520773 /nfs/dbraw/zinc/52/07/73/459520773.db2.gz MSUYGXAUQVTPPN-KRWDZBQOSA-N 2 1 326.488 3.430 10 30 EGEEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592074739 459520778 /nfs/dbraw/zinc/52/07/78/459520778.db2.gz MSUYGXAUQVTPPN-KRWDZBQOSA-N 2 1 326.488 3.430 10 30 EGEEMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnc(C#N)c1 ZINC000615798559 460393411 /nfs/dbraw/zinc/39/34/11/460393411.db2.gz DQGOQDWGDZEPFL-IRXDYDNUSA-N 2 1 334.467 3.199 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481067 461731129 /nfs/dbraw/zinc/73/11/29/461731129.db2.gz ZXFHHHJMGOKRJA-MSOLQXFVSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481067 461731136 /nfs/dbraw/zinc/73/11/36/461731136.db2.gz ZXFHHHJMGOKRJA-MSOLQXFVSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000651758675 462327413 /nfs/dbraw/zinc/32/74/13/462327413.db2.gz JNAMPMMZTCNBEV-UIFIKXQLSA-N 2 1 328.500 3.478 10 30 EGEEMP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CCCO1 ZINC000883174528 1302285717 /nfs/dbraw/zinc/28/57/17/1302285717.db2.gz MMSFWYZFUHTMGN-ZWKOTPCHSA-N 2 1 326.444 3.179 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857782 1331223324 /nfs/dbraw/zinc/22/33/24/1331223324.db2.gz CZROQHYSFAHNKO-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857782 1331223326 /nfs/dbraw/zinc/22/33/26/1331223326.db2.gz CZROQHYSFAHNKO-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857782 1331223328 /nfs/dbraw/zinc/22/33/28/1331223328.db2.gz CZROQHYSFAHNKO-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638808 1387414286 /nfs/dbraw/zinc/41/42/86/1387414286.db2.gz VHKGRZGBSYMZHJ-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001324163963 1387549911 /nfs/dbraw/zinc/54/99/11/1387549911.db2.gz SELJQNKSFAJMAH-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915075 1388079354 /nfs/dbraw/zinc/07/93/54/1388079354.db2.gz CJGYKAHYHHCXHV-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915075 1388079359 /nfs/dbraw/zinc/07/93/59/1388079359.db2.gz CJGYKAHYHHCXHV-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001274035676 1378114369 /nfs/dbraw/zinc/11/43/69/1378114369.db2.gz ITQLKEBNQADUCO-HXUWFJFHSA-N 2 1 343.515 3.171 10 30 EGEEMP C=C(Cl)C[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CCCCCC1 ZINC001277382098 1378221274 /nfs/dbraw/zinc/22/12/74/1378221274.db2.gz GEGZBADGDJCSOA-UHFFFAOYSA-N 2 1 343.943 3.220 10 30 EGEEMP C=C(Cl)C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001277382098 1378221278 /nfs/dbraw/zinc/22/12/78/1378221278.db2.gz GEGZBADGDJCSOA-UHFFFAOYSA-N 2 1 343.943 3.220 10 30 EGEEMP C=C(Cl)C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001277382098 1378221281 /nfs/dbraw/zinc/22/12/81/1378221281.db2.gz GEGZBADGDJCSOA-UHFFFAOYSA-N 2 1 343.943 3.220 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001282675071 1378545594 /nfs/dbraw/zinc/54/55/94/1378545594.db2.gz JPLVRNGHDONVBI-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001284536326 1379943067 /nfs/dbraw/zinc/94/30/67/1379943067.db2.gz HYMOWQKKHHBSHN-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001284536326 1379943070 /nfs/dbraw/zinc/94/30/70/1379943070.db2.gz HYMOWQKKHHBSHN-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001284536326 1379943073 /nfs/dbraw/zinc/94/30/73/1379943073.db2.gz HYMOWQKKHHBSHN-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553638 1379961132 /nfs/dbraw/zinc/96/11/32/1379961132.db2.gz RFDIMBBOWQJXDZ-RTBURBONSA-N 2 1 337.552 3.242 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001327981692 1388638392 /nfs/dbraw/zinc/63/83/92/1388638392.db2.gz HOQJQHXJHOAGNT-QZTJIDSGSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316877559 1384662010 /nfs/dbraw/zinc/66/20/10/1384662010.db2.gz DMOHNMNDHCIZJH-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316877559 1384662011 /nfs/dbraw/zinc/66/20/11/1384662011.db2.gz DMOHNMNDHCIZJH-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001317679213 1385386738 /nfs/dbraw/zinc/38/67/38/1385386738.db2.gz HTODSRDJFZCSME-KRWDZBQOSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001329733757 1389212515 /nfs/dbraw/zinc/21/25/15/1389212515.db2.gz JGSOGQOEODVHGZ-DLBZAZTESA-N 2 1 343.943 3.074 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329954715 1389272788 /nfs/dbraw/zinc/27/27/88/1389272788.db2.gz UXUDGSKVGNEXHS-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109266 1389988291 /nfs/dbraw/zinc/98/82/91/1389988291.db2.gz FLCIRXGKVWTCCZ-UYAOXDASSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109266 1389988295 /nfs/dbraw/zinc/98/82/95/1389988295.db2.gz FLCIRXGKVWTCCZ-UYAOXDASSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001479501143 1392258778 /nfs/dbraw/zinc/25/87/78/1392258778.db2.gz JOZHVELSYICSKP-SFHVURJKSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479738935 1392351356 /nfs/dbraw/zinc/35/13/56/1392351356.db2.gz NKHCECZACWNZIE-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480085251 1392574986 /nfs/dbraw/zinc/57/49/86/1392574986.db2.gz MVGGKXWYCFDMBP-LJQANCHMSA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734155 1392899100 /nfs/dbraw/zinc/89/91/00/1392899100.db2.gz ZSLQCZTZSOEVPY-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480734155 1392899104 /nfs/dbraw/zinc/89/91/04/1392899104.db2.gz ZSLQCZTZSOEVPY-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480734155 1392899106 /nfs/dbraw/zinc/89/91/06/1392899106.db2.gz ZSLQCZTZSOEVPY-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742953 1392909365 /nfs/dbraw/zinc/90/93/65/1392909365.db2.gz SULOMRLDHOZSHY-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742953 1392909366 /nfs/dbraw/zinc/90/93/66/1392909366.db2.gz SULOMRLDHOZSHY-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481515905 1394364848 /nfs/dbraw/zinc/36/48/48/1394364848.db2.gz HDBPTAUDMIAPHJ-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481515905 1394364853 /nfs/dbraw/zinc/36/48/53/1394364853.db2.gz HDBPTAUDMIAPHJ-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001481515905 1394364857 /nfs/dbraw/zinc/36/48/57/1394364857.db2.gz HDBPTAUDMIAPHJ-ICSRJNTNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001491237538 1394489741 /nfs/dbraw/zinc/48/97/41/1394489741.db2.gz NMLOAOBRXHNVTG-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001491237538 1394489744 /nfs/dbraw/zinc/48/97/44/1394489744.db2.gz NMLOAOBRXHNVTG-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001491237538 1394489746 /nfs/dbraw/zinc/48/97/46/1394489746.db2.gz NMLOAOBRXHNVTG-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001491237538 1394489752 /nfs/dbraw/zinc/48/97/52/1394489752.db2.gz NMLOAOBRXHNVTG-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001482474282 1395028924 /nfs/dbraw/zinc/02/89/24/1395028924.db2.gz SMFYHRJYHNEEKO-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484170354 1395309917 /nfs/dbraw/zinc/30/99/17/1395309917.db2.gz ONKDTFWKRGUPJM-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170354 1395309923 /nfs/dbraw/zinc/30/99/23/1395309923.db2.gz ONKDTFWKRGUPJM-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170354 1395309926 /nfs/dbraw/zinc/30/99/26/1395309926.db2.gz ONKDTFWKRGUPJM-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001484723397 1395487668 /nfs/dbraw/zinc/48/76/68/1395487668.db2.gz GRTYIYSCZSOLFZ-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001689178816 1396960582 /nfs/dbraw/zinc/96/05/82/1396960582.db2.gz UMBKJCJGIPVURI-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001689178816 1396960587 /nfs/dbraw/zinc/96/05/87/1396960587.db2.gz UMBKJCJGIPVURI-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001689178816 1396960596 /nfs/dbraw/zinc/96/05/96/1396960596.db2.gz UMBKJCJGIPVURI-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318858 1404477218 /nfs/dbraw/zinc/47/72/18/1404477218.db2.gz YXBXHZJNUXUHMS-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001690477244 1404598242 /nfs/dbraw/zinc/59/82/42/1404598242.db2.gz FQVXQICTLYWHSG-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149151 1405083228 /nfs/dbraw/zinc/08/32/28/1405083228.db2.gz VONYZOBIPPMHNW-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691149151 1405083232 /nfs/dbraw/zinc/08/32/32/1405083232.db2.gz VONYZOBIPPMHNW-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691149151 1405083237 /nfs/dbraw/zinc/08/32/37/1405083237.db2.gz VONYZOBIPPMHNW-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001691151045 1405084491 /nfs/dbraw/zinc/08/44/91/1405084491.db2.gz DTLJMQAECDOFKP-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001691151045 1405084495 /nfs/dbraw/zinc/08/44/95/1405084495.db2.gz DTLJMQAECDOFKP-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001691151045 1405084500 /nfs/dbraw/zinc/08/45/00/1405084500.db2.gz DTLJMQAECDOFKP-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725748822 1426426922 /nfs/dbraw/zinc/42/69/22/1426426922.db2.gz DBUBCBOIDVSPRR-ROUUACIJSA-N 2 1 337.552 3.336 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001692004783 1405721637 /nfs/dbraw/zinc/72/16/37/1405721637.db2.gz LSDOCCWBXJWWQQ-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001698573712 1406180041 /nfs/dbraw/zinc/18/00/41/1406180041.db2.gz BVQMYRFTJWOTAK-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001698573712 1406180042 /nfs/dbraw/zinc/18/00/42/1406180042.db2.gz BVQMYRFTJWOTAK-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001698573712 1406180043 /nfs/dbraw/zinc/18/00/43/1406180043.db2.gz BVQMYRFTJWOTAK-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001732020427 1428238047 /nfs/dbraw/zinc/23/80/47/1428238047.db2.gz TUXXMNCOOOKKEW-ZWKOTPCHSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732020427 1428238048 /nfs/dbraw/zinc/23/80/48/1428238048.db2.gz TUXXMNCOOOKKEW-ZWKOTPCHSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001732325590 1428534113 /nfs/dbraw/zinc/53/41/13/1428534113.db2.gz VQDBNKASMHDGMB-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001732331391 1428537749 /nfs/dbraw/zinc/53/77/49/1428537749.db2.gz MXDMXAKIXCLRAV-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699682714 1413077105 /nfs/dbraw/zinc/07/71/05/1413077105.db2.gz UWPOBLDEMIZZQP-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699682714 1413077113 /nfs/dbraw/zinc/07/71/13/1413077113.db2.gz UWPOBLDEMIZZQP-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699682714 1413077114 /nfs/dbraw/zinc/07/71/14/1413077114.db2.gz UWPOBLDEMIZZQP-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699682715 1413077363 /nfs/dbraw/zinc/07/73/63/1413077363.db2.gz UWPOBLDEMIZZQP-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001699682715 1413077370 /nfs/dbraw/zinc/07/73/70/1413077370.db2.gz UWPOBLDEMIZZQP-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001699682715 1413077372 /nfs/dbraw/zinc/07/73/72/1413077372.db2.gz UWPOBLDEMIZZQP-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001699990254 1413436847 /nfs/dbraw/zinc/43/68/47/1413436847.db2.gz YSJZOPGGEBOQKD-LWYYNNOASA-N 2 1 349.563 3.077 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001699990254 1413436850 /nfs/dbraw/zinc/43/68/50/1413436850.db2.gz YSJZOPGGEBOQKD-LWYYNNOASA-N 2 1 349.563 3.077 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001699990254 1413436853 /nfs/dbraw/zinc/43/68/53/1413436853.db2.gz YSJZOPGGEBOQKD-LWYYNNOASA-N 2 1 349.563 3.077 10 30 EGEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001700094447 1413509473 /nfs/dbraw/zinc/50/94/73/1413509473.db2.gz KFMNTCZQMRJWCE-XLIONFOSSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359667 1413869668 /nfs/dbraw/zinc/86/96/68/1413869668.db2.gz RSBQMZWZIVRFBB-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700359667 1413869672 /nfs/dbraw/zinc/86/96/72/1413869672.db2.gz RSBQMZWZIVRFBB-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700359667 1413869675 /nfs/dbraw/zinc/86/96/75/1413869675.db2.gz RSBQMZWZIVRFBB-ROUUACIJSA-N 2 1 337.552 3.242 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001700989186 1414632918 /nfs/dbraw/zinc/63/29/18/1414632918.db2.gz XJPGYXRAQADOOC-QZTJIDSGSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001707175661 1417229617 /nfs/dbraw/zinc/22/96/17/1417229617.db2.gz RYSLVCPINGWPDN-VAMGGRTRSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001707205331 1417244388 /nfs/dbraw/zinc/24/43/88/1417244388.db2.gz WRZIWRDXXMMXNZ-OTWHNJEPSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087035 1417633694 /nfs/dbraw/zinc/63/36/94/1417633694.db2.gz BUSBJZLRGDHOIE-RTBURBONSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713087035 1417633695 /nfs/dbraw/zinc/63/36/95/1417633695.db2.gz BUSBJZLRGDHOIE-RTBURBONSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713087035 1417633696 /nfs/dbraw/zinc/63/36/96/1417633696.db2.gz BUSBJZLRGDHOIE-RTBURBONSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001713136815 1417719321 /nfs/dbraw/zinc/71/93/21/1417719321.db2.gz NTXKRSMKHDAJDL-QGZVFWFLSA-N 2 1 347.503 3.091 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184994 1417760252 /nfs/dbraw/zinc/76/02/52/1417760252.db2.gz VLFQMBDSUDVMFP-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713232672 1417818915 /nfs/dbraw/zinc/81/89/15/1417818915.db2.gz BURRFVRRECBFHW-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713728991 1418512155 /nfs/dbraw/zinc/51/21/55/1418512155.db2.gz SBRKZTQRMGUQSW-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713758548 1418564186 /nfs/dbraw/zinc/56/41/86/1418564186.db2.gz RZWBSLHXRVGOSL-QUCCMNQESA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758548 1418564197 /nfs/dbraw/zinc/56/41/97/1418564197.db2.gz RZWBSLHXRVGOSL-QUCCMNQESA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713758548 1418564203 /nfs/dbraw/zinc/56/42/03/1418564203.db2.gz RZWBSLHXRVGOSL-QUCCMNQESA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001713763873 1418575582 /nfs/dbraw/zinc/57/55/82/1418575582.db2.gz HLRKXYRSTWPYCA-UHFFFAOYSA-N 2 1 349.544 3.170 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713784639 1418601303 /nfs/dbraw/zinc/60/13/03/1418601303.db2.gz HAIGZHMPRCAJBD-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713784639 1418601305 /nfs/dbraw/zinc/60/13/05/1418601305.db2.gz HAIGZHMPRCAJBD-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713784639 1418601307 /nfs/dbraw/zinc/60/13/07/1418601307.db2.gz HAIGZHMPRCAJBD-CEXWTWQISA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714006657 1418785782 /nfs/dbraw/zinc/78/57/82/1418785782.db2.gz OCATYMGKAZYWSU-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714006657 1418785783 /nfs/dbraw/zinc/78/57/83/1418785783.db2.gz OCATYMGKAZYWSU-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714006657 1418785787 /nfs/dbraw/zinc/78/57/87/1418785787.db2.gz OCATYMGKAZYWSU-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714085049 1418878715 /nfs/dbraw/zinc/87/87/15/1418878715.db2.gz OGLNKUKNOSNYNT-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714130252 1418933647 /nfs/dbraw/zinc/93/36/47/1418933647.db2.gz RDTZBKSFZNVMIL-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001714316743 1419094977 /nfs/dbraw/zinc/09/49/77/1419094977.db2.gz ATHAEIBREHRNCS-UFYCRDLUSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001714326150 1419105594 /nfs/dbraw/zinc/10/55/94/1419105594.db2.gz MUBUEXLCCRPJFO-LJQANCHMSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714914875 1419663824 /nfs/dbraw/zinc/66/38/24/1419663824.db2.gz ZQAKHIXCVPVFSX-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001714977940 1419712911 /nfs/dbraw/zinc/71/29/11/1419712911.db2.gz PECBWJJWDIIWLT-UXHICEINSA-N 2 1 349.563 3.339 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001715408235 1420105877 /nfs/dbraw/zinc/10/58/77/1420105877.db2.gz DQGKYRSLJCTBKP-HKUYNNGSSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001715498759 1420180613 /nfs/dbraw/zinc/18/06/13/1420180613.db2.gz OOXYJHXSQVFSCR-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001715498759 1420180616 /nfs/dbraw/zinc/18/06/16/1420180616.db2.gz OOXYJHXSQVFSCR-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001715498759 1420180617 /nfs/dbraw/zinc/18/06/17/1420180617.db2.gz OOXYJHXSQVFSCR-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001716053726 1420517998 /nfs/dbraw/zinc/51/79/98/1420517998.db2.gz LLAKYNSBSDUFHX-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001716053726 1420517999 /nfs/dbraw/zinc/51/79/99/1420517999.db2.gz LLAKYNSBSDUFHX-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001716053726 1420518000 /nfs/dbraw/zinc/51/80/00/1420518000.db2.gz LLAKYNSBSDUFHX-RBUKOAKNSA-N 2 1 337.552 3.220 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278507 1429446909 /nfs/dbraw/zinc/44/69/09/1429446909.db2.gz RHPDCAICKSMDSX-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCCCCC1 ZINC001733278507 1429446911 /nfs/dbraw/zinc/44/69/11/1429446911.db2.gz RHPDCAICKSMDSX-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCCCCC1 ZINC001733278507 1429446912 /nfs/dbraw/zinc/44/69/12/1429446912.db2.gz RHPDCAICKSMDSX-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001717115467 1421119255 /nfs/dbraw/zinc/11/92/55/1421119255.db2.gz MJZHSIAVQRZVOK-FXAWDEMLSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001717334711 1421271278 /nfs/dbraw/zinc/27/12/78/1421271278.db2.gz YJUDWWAIWVAJOM-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836080 1421649375 /nfs/dbraw/zinc/64/93/75/1421649375.db2.gz GEECCQNRVGEYKQ-FPOVZHCZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836080 1421649376 /nfs/dbraw/zinc/64/93/76/1421649376.db2.gz GEECCQNRVGEYKQ-FPOVZHCZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836080 1421649378 /nfs/dbraw/zinc/64/93/78/1421649378.db2.gz GEECCQNRVGEYKQ-FPOVZHCZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001733464278 1429694974 /nfs/dbraw/zinc/69/49/74/1429694974.db2.gz FAAWZARQYZZEFG-HXUWFJFHSA-N 2 1 346.519 3.156 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001733464278 1429694975 /nfs/dbraw/zinc/69/49/75/1429694975.db2.gz FAAWZARQYZZEFG-HXUWFJFHSA-N 2 1 346.519 3.156 10 30 EGEEMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001723633424 1424499933 /nfs/dbraw/zinc/49/99/33/1424499933.db2.gz XJPVIIMQYRPLQY-HSALFYBXSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001723633424 1424499937 /nfs/dbraw/zinc/49/99/37/1424499937.db2.gz XJPVIIMQYRPLQY-HSALFYBXSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001723633424 1424499938 /nfs/dbraw/zinc/49/99/38/1424499938.db2.gz XJPVIIMQYRPLQY-HSALFYBXSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723727869 1424551942 /nfs/dbraw/zinc/55/19/42/1424551942.db2.gz XYHSYJKDAIXMDS-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001733565373 1429765845 /nfs/dbraw/zinc/76/58/45/1429765845.db2.gz GAYHQNQOECGBOM-LTFPLMDUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001733565373 1429765848 /nfs/dbraw/zinc/76/58/48/1429765848.db2.gz GAYHQNQOECGBOM-LTFPLMDUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001733565373 1429765851 /nfs/dbraw/zinc/76/58/51/1429765851.db2.gz GAYHQNQOECGBOM-LTFPLMDUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001724613574 1424957684 /nfs/dbraw/zinc/95/76/84/1424957684.db2.gz XIYNBRAUYXEHJA-IYARVYRRSA-N 2 1 346.519 3.095 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001724707260 1425063723 /nfs/dbraw/zinc/06/37/23/1425063723.db2.gz JMMMRLLVBWHOCO-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001724745464 1425114111 /nfs/dbraw/zinc/11/41/11/1425114111.db2.gz IUUCFNOKFHPZPI-YLJYHZDGSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724836228 1425183772 /nfs/dbraw/zinc/18/37/72/1425183772.db2.gz SIUCUBHVJLECFJ-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001724836228 1425183776 /nfs/dbraw/zinc/18/37/76/1425183776.db2.gz SIUCUBHVJLECFJ-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001724836228 1425183777 /nfs/dbraw/zinc/18/37/77/1425183777.db2.gz SIUCUBHVJLECFJ-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979095 1425380336 /nfs/dbraw/zinc/38/03/36/1425380336.db2.gz KRGDAYNKYVOOAK-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725238900 1425834832 /nfs/dbraw/zinc/83/48/32/1425834832.db2.gz HTLJXWMVWDIYQD-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725238900 1425834837 /nfs/dbraw/zinc/83/48/37/1425834837.db2.gz HTLJXWMVWDIYQD-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725238900 1425834850 /nfs/dbraw/zinc/83/48/50/1425834850.db2.gz HTLJXWMVWDIYQD-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725238900 1425834854 /nfs/dbraw/zinc/83/48/54/1425834854.db2.gz HTLJXWMVWDIYQD-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561040 1427596209 /nfs/dbraw/zinc/59/62/09/1427596209.db2.gz DESLTYJWHFGSPV-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598366 1429797412 /nfs/dbraw/zinc/79/74/12/1429797412.db2.gz LBKPSIUKEPPZFD-RBUKOAKNSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001733877991 1437705498 /nfs/dbraw/zinc/70/54/98/1437705498.db2.gz GJHFBOYUDBJWJO-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877991 1437705501 /nfs/dbraw/zinc/70/55/01/1437705501.db2.gz GJHFBOYUDBJWJO-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877991 1437705503 /nfs/dbraw/zinc/70/55/03/1437705503.db2.gz GJHFBOYUDBJWJO-RTBURBONSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001733877986 1437705569 /nfs/dbraw/zinc/70/55/69/1437705569.db2.gz GJHFBOYUDBJWJO-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877986 1437705571 /nfs/dbraw/zinc/70/55/71/1437705571.db2.gz GJHFBOYUDBJWJO-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877986 1437705572 /nfs/dbraw/zinc/70/55/72/1437705572.db2.gz GJHFBOYUDBJWJO-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001733897189 1437715016 /nfs/dbraw/zinc/71/50/16/1437715016.db2.gz CLTNIOKXBVAQLI-WBVHZDCISA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148052 1437915997 /nfs/dbraw/zinc/91/59/97/1437915997.db2.gz NZNWVRHBXXUPHN-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148052 1437916000 /nfs/dbraw/zinc/91/60/00/1437916000.db2.gz NZNWVRHBXXUPHN-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148052 1437916001 /nfs/dbraw/zinc/91/60/01/1437916001.db2.gz NZNWVRHBXXUPHN-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001734195936 1437937171 /nfs/dbraw/zinc/93/71/71/1437937171.db2.gz PRTGDODAXVRIMI-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195936 1437937173 /nfs/dbraw/zinc/93/71/73/1437937173.db2.gz PRTGDODAXVRIMI-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195936 1437937175 /nfs/dbraw/zinc/93/71/75/1437937175.db2.gz PRTGDODAXVRIMI-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001734438247 1438100796 /nfs/dbraw/zinc/10/07/96/1438100796.db2.gz GABRGRFOKQYWEK-IRFCIJBXSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001734438247 1438100799 /nfs/dbraw/zinc/10/07/99/1438100799.db2.gz GABRGRFOKQYWEK-IRFCIJBXSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001734438247 1438100800 /nfs/dbraw/zinc/10/08/00/1438100800.db2.gz GABRGRFOKQYWEK-IRFCIJBXSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447344 1438107885 /nfs/dbraw/zinc/10/78/85/1438107885.db2.gz ZKLTWZBYFXFRQD-ZVDOUQERSA-N 2 1 347.547 3.330 10 30 EGEEMP Cn1cc[nH+]c1CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000171600089 144007575 /nfs/dbraw/zinc/00/75/75/144007575.db2.gz XRKMVCOWACXUAG-UHFFFAOYSA-N 2 1 338.455 3.015 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000183683256 455320183 /nfs/dbraw/zinc/32/01/83/455320183.db2.gz QISGDPVCYZDUHF-QVKFZJNVSA-N 2 1 346.434 3.437 10 30 EGEEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124733 457467201 /nfs/dbraw/zinc/46/72/01/457467201.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 1 325.378 3.492 10 30 EGEEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124733 457467211 /nfs/dbraw/zinc/46/72/11/457467211.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 1 325.378 3.492 10 30 EGEEMP N#CCCCOc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000370124022 457554187 /nfs/dbraw/zinc/55/41/87/457554187.db2.gz UOMYVFGXDNLPEU-UHFFFAOYSA-N 2 1 327.472 3.476 10 30 EGEEMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509778 /nfs/dbraw/zinc/50/97/78/458509778.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 1 337.414 3.322 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594495739 459060011 /nfs/dbraw/zinc/06/00/11/459060011.db2.gz VBEBLEKCNYNCJQ-FQEVSTJZSA-N 2 1 342.483 3.481 10 30 EGEEMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1C#N ZINC000592090225 459523930 /nfs/dbraw/zinc/52/39/30/459523930.db2.gz DZSXZSOEYPXPFH-UHFFFAOYSA-N 2 1 335.455 3.087 10 30 EGEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1C#N ZINC000592090225 459523936 /nfs/dbraw/zinc/52/39/36/459523936.db2.gz DZSXZSOEYPXPFH-UHFFFAOYSA-N 2 1 335.455 3.087 10 30 EGEEMP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492306705 459699504 /nfs/dbraw/zinc/69/95/04/459699504.db2.gz CKZQKOBUVXZGCB-RXVVDRJESA-N 2 1 349.478 3.437 10 30 EGEEMP Cc1cc(N2CCC([NH2+]Cc3c(C)cc(C#N)cc3C)CC2)nc(C)[nH+]1 ZINC000921817134 1322403995 /nfs/dbraw/zinc/40/39/95/1322403995.db2.gz IPURPBBVFSVZPE-UHFFFAOYSA-N 2 1 349.482 3.341 10 30 EGEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001323736903 1387439167 /nfs/dbraw/zinc/43/91/67/1387439167.db2.gz XVSLKABHSMDACZ-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001323736903 1387439171 /nfs/dbraw/zinc/43/91/71/1387439171.db2.gz XVSLKABHSMDACZ-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001323736903 1387439174 /nfs/dbraw/zinc/43/91/74/1387439174.db2.gz XVSLKABHSMDACZ-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001119988945 1371443835 /nfs/dbraw/zinc/44/38/35/1371443835.db2.gz MDMKGWCAKASLBR-GBESFXJTSA-N 2 1 344.499 3.422 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099730 1388671347 /nfs/dbraw/zinc/67/13/47/1388671347.db2.gz XVMOJRFMFYGYRR-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001297372805 1383151855 /nfs/dbraw/zinc/15/18/55/1383151855.db2.gz FSVGKUKZPFNDNG-UHFFFAOYSA-N 2 1 343.515 3.252 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810271 1384606207 /nfs/dbraw/zinc/60/62/07/1384606207.db2.gz ICODLMRQHPVBQG-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC(C)(C)C1 ZINC001316810271 1384606210 /nfs/dbraw/zinc/60/62/10/1384606210.db2.gz ICODLMRQHPVBQG-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316877562 1384662005 /nfs/dbraw/zinc/66/20/05/1384662005.db2.gz DMOHNMNDHCIZJH-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316877562 1384662007 /nfs/dbraw/zinc/66/20/07/1384662007.db2.gz DMOHNMNDHCIZJH-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137557 1384902416 /nfs/dbraw/zinc/90/24/16/1384902416.db2.gz MQIYWDBMQOLYNJ-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137557 1384902419 /nfs/dbraw/zinc/90/24/19/1384902419.db2.gz MQIYWDBMQOLYNJ-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317328017 1385084044 /nfs/dbraw/zinc/08/40/44/1385084044.db2.gz ZCWKRGSNTDYLLX-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521840 1385240140 /nfs/dbraw/zinc/24/01/40/1385240140.db2.gz FFATZBDSWRNOFL-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001317876605 1385556350 /nfs/dbraw/zinc/55/63/50/1385556350.db2.gz KMALHUASSOPUMO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001317876605 1385556353 /nfs/dbraw/zinc/55/63/53/1385556353.db2.gz KMALHUASSOPUMO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001317876605 1385556359 /nfs/dbraw/zinc/55/63/59/1385556359.db2.gz KMALHUASSOPUMO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001317880059 1385557811 /nfs/dbraw/zinc/55/78/11/1385557811.db2.gz PMEPIKAVCUAORU-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001319915108 1386386855 /nfs/dbraw/zinc/38/68/55/1386386855.db2.gz HYNJFMGAVVZYJY-AZUAARDMSA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001330498996 1389431334 /nfs/dbraw/zinc/43/13/34/1389431334.db2.gz CPQFDJHXMHIGLT-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001330498996 1389431337 /nfs/dbraw/zinc/43/13/37/1389431337.db2.gz CPQFDJHXMHIGLT-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001330498996 1389431339 /nfs/dbraw/zinc/43/13/39/1389431339.db2.gz CPQFDJHXMHIGLT-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479612483 1392287709 /nfs/dbraw/zinc/28/77/09/1392287709.db2.gz JRCNYLSKDYFLNL-RLLQIKCJSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001479695840 1392327020 /nfs/dbraw/zinc/32/70/20/1392327020.db2.gz OZYMCPFEMJUTRZ-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001479995276 1392526591 /nfs/dbraw/zinc/52/65/91/1392526591.db2.gz JRXHXKONSGWQDJ-ICSRJNTNSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254536 1392639240 /nfs/dbraw/zinc/63/92/40/1392639240.db2.gz DHQNWHMFHMBNNE-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480254536 1392639241 /nfs/dbraw/zinc/63/92/41/1392639241.db2.gz DHQNWHMFHMBNNE-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480254536 1392639242 /nfs/dbraw/zinc/63/92/42/1392639242.db2.gz DHQNWHMFHMBNNE-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480736987 1392902759 /nfs/dbraw/zinc/90/27/59/1392902759.db2.gz KHYCWTLOTAOLCW-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736987 1392902762 /nfs/dbraw/zinc/90/27/62/1392902762.db2.gz KHYCWTLOTAOLCW-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736987 1392902764 /nfs/dbraw/zinc/90/27/64/1392902764.db2.gz KHYCWTLOTAOLCW-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480828334 1392967136 /nfs/dbraw/zinc/96/71/36/1392967136.db2.gz OUXOSZRRDPHGAG-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480828334 1392967139 /nfs/dbraw/zinc/96/71/39/1392967139.db2.gz OUXOSZRRDPHGAG-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480828334 1392967144 /nfs/dbraw/zinc/96/71/44/1392967144.db2.gz OUXOSZRRDPHGAG-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001482453440 1395011693 /nfs/dbraw/zinc/01/16/93/1395011693.db2.gz BGLSAESLLWHTAC-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001483847619 1395114282 /nfs/dbraw/zinc/11/42/82/1395114282.db2.gz IOHCLIRALSWKRF-TZIWHRDSSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161335 1395295827 /nfs/dbraw/zinc/29/58/27/1395295827.db2.gz VCYCBNMLDAQUAH-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001484161335 1395295828 /nfs/dbraw/zinc/29/58/28/1395295828.db2.gz VCYCBNMLDAQUAH-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001484161335 1395295835 /nfs/dbraw/zinc/29/58/35/1395295835.db2.gz VCYCBNMLDAQUAH-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484466760 1395403491 /nfs/dbraw/zinc/40/34/91/1395403491.db2.gz WBCXIILBUIZLBJ-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484466760 1395403497 /nfs/dbraw/zinc/40/34/97/1395403497.db2.gz WBCXIILBUIZLBJ-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484466760 1395403501 /nfs/dbraw/zinc/40/35/01/1395403501.db2.gz WBCXIILBUIZLBJ-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001484891063 1395587919 /nfs/dbraw/zinc/58/79/19/1395587919.db2.gz CBSDANQRTOADND-AEFFLSMTSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001485457497 1395930275 /nfs/dbraw/zinc/93/02/75/1395930275.db2.gz NGPWLWHMOUZTIB-RTBURBONSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485476044 1395953799 /nfs/dbraw/zinc/95/37/99/1395953799.db2.gz HLOAYUAUQYLNJH-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476044 1395953805 /nfs/dbraw/zinc/95/38/05/1395953805.db2.gz HLOAYUAUQYLNJH-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476044 1395953806 /nfs/dbraw/zinc/95/38/06/1395953806.db2.gz HLOAYUAUQYLNJH-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658878 1396088254 /nfs/dbraw/zinc/08/82/54/1396088254.db2.gz ZQKUZSAVHXSMRC-XUVXKRRUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001501170575 1396189076 /nfs/dbraw/zinc/18/90/76/1396189076.db2.gz ZNUDWBOJLGCREW-XEYPJELSSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502730462 1396221619 /nfs/dbraw/zinc/22/16/19/1396221619.db2.gz AAUDMFNVRJKIKD-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001689229925 1396983167 /nfs/dbraw/zinc/98/31/67/1396983167.db2.gz GZNCTJKJJZBPRV-HSALFYBXSA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001689309641 1397029527 /nfs/dbraw/zinc/02/95/27/1397029527.db2.gz VHMQOOPYBVVJOA-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001690128772 1404323136 /nfs/dbraw/zinc/32/31/36/1404323136.db2.gz TUXNOFPSPYTPRR-MOPGFXCFSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001690493004 1404607306 /nfs/dbraw/zinc/60/73/06/1404607306.db2.gz XTPCXWUNOQVGRC-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493004 1404607307 /nfs/dbraw/zinc/60/73/07/1404607307.db2.gz XTPCXWUNOQVGRC-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493004 1404607313 /nfs/dbraw/zinc/60/73/13/1404607313.db2.gz XTPCXWUNOQVGRC-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690501619 1404614787 /nfs/dbraw/zinc/61/47/87/1404614787.db2.gz NJLXDIFZXLXAPH-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501619 1404614789 /nfs/dbraw/zinc/61/47/89/1404614789.db2.gz NJLXDIFZXLXAPH-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501619 1404614792 /nfs/dbraw/zinc/61/47/92/1404614792.db2.gz NJLXDIFZXLXAPH-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691620612 1405361452 /nfs/dbraw/zinc/36/14/52/1405361452.db2.gz MIRBSJZZPWXVAR-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001691663313 1405396597 /nfs/dbraw/zinc/39/65/97/1405396597.db2.gz QGFOOPIPZOBPOI-QWFCFKBJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001691964731 1405680724 /nfs/dbraw/zinc/68/07/24/1405680724.db2.gz DQNSKSKEONNFBP-MRXNPFEDSA-N 2 1 349.544 3.170 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001692121036 1405783439 /nfs/dbraw/zinc/78/34/39/1405783439.db2.gz MPOZYALWWIWZRY-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692316575 1405935093 /nfs/dbraw/zinc/93/50/93/1405935093.db2.gz QVMKBQISVBZWRN-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732182566 1428430482 /nfs/dbraw/zinc/43/04/82/1428430482.db2.gz PHUIEDYTOZTGQL-GOSISDBHSA-N 2 1 340.471 3.145 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001732313751 1428525892 /nfs/dbraw/zinc/52/58/92/1428525892.db2.gz XASOBLNHLVROKC-NCXUSEDFSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001699605362 1412969126 /nfs/dbraw/zinc/96/91/26/1412969126.db2.gz NRICAYRVTPRSPG-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP CC#CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001699683388 1413078201 /nfs/dbraw/zinc/07/82/01/1413078201.db2.gz JNQHQNCILYNSQC-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001699683388 1413078204 /nfs/dbraw/zinc/07/82/04/1413078204.db2.gz JNQHQNCILYNSQC-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001699683388 1413078208 /nfs/dbraw/zinc/07/82/08/1413078208.db2.gz JNQHQNCILYNSQC-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCCC)C1CCCCCC1 ZINC001699683367 1413078296 /nfs/dbraw/zinc/07/82/96/1413078296.db2.gz JAMMTQRMQRIXPR-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCCC)C1CCCCCC1 ZINC001699683367 1413078299 /nfs/dbraw/zinc/07/82/99/1413078299.db2.gz JAMMTQRMQRIXPR-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC)C1CCCCCC1 ZINC001699683367 1413078303 /nfs/dbraw/zinc/07/83/03/1413078303.db2.gz JAMMTQRMQRIXPR-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC)C1CCCCCC1 ZINC001699683367 1413078307 /nfs/dbraw/zinc/07/83/07/1413078307.db2.gz JAMMTQRMQRIXPR-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001699806477 1413221212 /nfs/dbraw/zinc/22/12/12/1413221212.db2.gz MFJXZJWADWHMFA-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197296 1413638833 /nfs/dbraw/zinc/63/88/33/1413638833.db2.gz JWFBMEQKZAKFKX-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700295461 1413755293 /nfs/dbraw/zinc/75/52/93/1413755293.db2.gz OJYZMJSCXMKERM-ROUUACIJSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001700295461 1413755297 /nfs/dbraw/zinc/75/52/97/1413755297.db2.gz OJYZMJSCXMKERM-ROUUACIJSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001700295461 1413755299 /nfs/dbraw/zinc/75/52/99/1413755299.db2.gz OJYZMJSCXMKERM-ROUUACIJSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361300 1413875236 /nfs/dbraw/zinc/87/52/36/1413875236.db2.gz BJGCGXXLYQDBDA-AZUAARDMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001700567580 1414235359 /nfs/dbraw/zinc/23/53/59/1414235359.db2.gz KYPXGCMNFRPMKZ-KRWDZBQOSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001700567580 1414235360 /nfs/dbraw/zinc/23/53/60/1414235360.db2.gz KYPXGCMNFRPMKZ-KRWDZBQOSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001700567580 1414235361 /nfs/dbraw/zinc/23/53/61/1414235361.db2.gz KYPXGCMNFRPMKZ-KRWDZBQOSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001700620466 1414289883 /nfs/dbraw/zinc/28/98/83/1414289883.db2.gz WWMJQWJUYSXEMP-UHFFFAOYSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700641326 1414307319 /nfs/dbraw/zinc/30/73/19/1414307319.db2.gz UPBQQAKUGZASLZ-MKXGPGLRSA-N 2 1 335.536 3.088 10 30 EGEEMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001701023019 1414683807 /nfs/dbraw/zinc/68/38/07/1414683807.db2.gz PHXSGFBBWMYWIV-YXWAVELNSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193468 1417239500 /nfs/dbraw/zinc/23/95/00/1417239500.db2.gz MOSLCXTWTNTUDE-SLFFLAALSA-N 2 1 349.563 3.268 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043535 1429173813 /nfs/dbraw/zinc/17/38/13/1429173813.db2.gz PVACEZAHGARROG-HUUCEWRRSA-N 2 1 328.460 3.048 10 30 EGEEMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001713095880 1417645288 /nfs/dbraw/zinc/64/52/88/1417645288.db2.gz URLNGDMJRSOPKB-IBGZPJMESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713275901 1417894167 /nfs/dbraw/zinc/89/41/67/1417894167.db2.gz OJJBNZSYZAVGLM-SJORKVTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275901 1417894169 /nfs/dbraw/zinc/89/41/69/1417894169.db2.gz OJJBNZSYZAVGLM-SJORKVTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275901 1417894174 /nfs/dbraw/zinc/89/41/74/1417894174.db2.gz OJJBNZSYZAVGLM-SJORKVTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713394278 1418008674 /nfs/dbraw/zinc/00/86/74/1418008674.db2.gz SJWWDZXBHOQGER-SFHVURJKSA-N 2 1 340.471 3.145 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001713678261 1418430335 /nfs/dbraw/zinc/43/03/35/1418430335.db2.gz WPFBKLHZRUMLCW-PXNSSMCTSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713751015 1418552116 /nfs/dbraw/zinc/55/21/16/1418552116.db2.gz LKYAQJWEMWOICP-QGZVFWFLSA-N 2 1 340.471 3.003 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713971776 1418750500 /nfs/dbraw/zinc/75/05/00/1418750500.db2.gz PQUBTDWMTSDVFM-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713993564 1418772102 /nfs/dbraw/zinc/77/21/02/1418772102.db2.gz LWMWTBHFHSLDSU-YESZJQIVSA-N 2 1 335.536 3.231 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001714025873 1418810676 /nfs/dbraw/zinc/81/06/76/1418810676.db2.gz UVDRUWKWAWHQQU-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714025873 1418810677 /nfs/dbraw/zinc/81/06/77/1418810677.db2.gz UVDRUWKWAWHQQU-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714025873 1418810679 /nfs/dbraw/zinc/81/06/79/1418810679.db2.gz UVDRUWKWAWHQQU-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714366135 1419125803 /nfs/dbraw/zinc/12/58/03/1419125803.db2.gz MUEQPELBAXVJQN-UHFFFAOYSA-N 2 1 337.552 3.223 10 30 EGEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001714492924 1419216503 /nfs/dbraw/zinc/21/65/03/1419216503.db2.gz AHIMSQJNHOKIQC-GOSISDBHSA-N 2 1 347.547 3.236 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714910405 1419655854 /nfs/dbraw/zinc/65/58/54/1419655854.db2.gz VUDFCMNEVFUFTM-IBGZPJMESA-N 2 1 343.515 3.108 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714910407 1419656239 /nfs/dbraw/zinc/65/62/39/1419656239.db2.gz VUDFCMNEVFUFTM-LJQANCHMSA-N 2 1 343.515 3.108 10 30 EGEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001714916052 1419666855 /nfs/dbraw/zinc/66/68/55/1419666855.db2.gz ZPAMRFZTZTYBFA-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714916052 1419666856 /nfs/dbraw/zinc/66/68/56/1419666856.db2.gz ZPAMRFZTZTYBFA-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001714916052 1419666859 /nfs/dbraw/zinc/66/68/59/1419666859.db2.gz ZPAMRFZTZTYBFA-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001715183618 1419916944 /nfs/dbraw/zinc/91/69/44/1419916944.db2.gz QIZJOELBDXMXMS-BJLQDIEVSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717200296 1421167389 /nfs/dbraw/zinc/16/73/89/1421167389.db2.gz COHDLCINVQQQPT-HXUWFJFHSA-N 2 1 343.515 3.299 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339275 1421277211 /nfs/dbraw/zinc/27/72/11/1421277211.db2.gz SYEGBOUGCGNVOQ-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339275 1421277212 /nfs/dbraw/zinc/27/72/12/1421277212.db2.gz SYEGBOUGCGNVOQ-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339275 1421277213 /nfs/dbraw/zinc/27/72/13/1421277213.db2.gz SYEGBOUGCGNVOQ-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339275 1421277214 /nfs/dbraw/zinc/27/72/14/1421277214.db2.gz SYEGBOUGCGNVOQ-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733463348 1429691933 /nfs/dbraw/zinc/69/19/33/1429691933.db2.gz QYHACFOOFNGXPC-HXUWFJFHSA-N 2 1 349.563 3.271 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843819 1425193045 /nfs/dbraw/zinc/19/30/45/1425193045.db2.gz LUFBGNVEOGBPBB-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869772 1425252731 /nfs/dbraw/zinc/25/27/31/1425252731.db2.gz WBJPYEYJPCSLTK-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724890402 1425276519 /nfs/dbraw/zinc/27/65/19/1425276519.db2.gz BDYZOWVGRLAEJJ-GOSISDBHSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724991864 1425393900 /nfs/dbraw/zinc/39/39/00/1425393900.db2.gz IRLUOLUBHYYWAY-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001724991864 1425393907 /nfs/dbraw/zinc/39/39/07/1425393907.db2.gz IRLUOLUBHYYWAY-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001724991864 1425393913 /nfs/dbraw/zinc/39/39/13/1425393913.db2.gz IRLUOLUBHYYWAY-IAGOWNOFSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001725426315 1426088801 /nfs/dbraw/zinc/08/88/01/1426088801.db2.gz SAEHDNHHLSLJIG-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725426315 1426088804 /nfs/dbraw/zinc/08/88/04/1426088804.db2.gz SAEHDNHHLSLJIG-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001725426315 1426088808 /nfs/dbraw/zinc/08/88/08/1426088808.db2.gz SAEHDNHHLSLJIG-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001725428104 1426092608 /nfs/dbraw/zinc/09/26/08/1426092608.db2.gz XXTHMJQYZIDZBL-UHFFFAOYSA-N 2 1 335.536 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737669 1426412439 /nfs/dbraw/zinc/41/24/39/1426412439.db2.gz DTMRIQHRENGTPZ-IEBWSBKVSA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470937 1427450802 /nfs/dbraw/zinc/45/08/02/1427450802.db2.gz MEYLMUOFSKNTAQ-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731537039 1427536354 /nfs/dbraw/zinc/53/63/54/1427536354.db2.gz QKHLXMNDLMGXEG-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731716847 1427781342 /nfs/dbraw/zinc/78/13/42/1427781342.db2.gz ZVDJNPZQHRFRCT-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719658 1427787744 /nfs/dbraw/zinc/78/77/44/1427787744.db2.gz MFRHNEWDOVAPNA-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001733694142 1429911670 /nfs/dbraw/zinc/91/16/70/1429911670.db2.gz YBYFVVWYAAGODW-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001734012858 1437804253 /nfs/dbraw/zinc/80/42/53/1437804253.db2.gz SJCUJOYVKCPZKK-UHFFFAOYSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001734012858 1437804255 /nfs/dbraw/zinc/80/42/55/1437804255.db2.gz SJCUJOYVKCPZKK-UHFFFAOYSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734299879 1438031140 /nfs/dbraw/zinc/03/11/40/1438031140.db2.gz FEYWWONCSACADC-AZUAARDMSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC001734441390 1438103464 /nfs/dbraw/zinc/10/34/64/1438103464.db2.gz SMPHSMKLDLQTEL-IRFCIJBXSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001734441390 1438103465 /nfs/dbraw/zinc/10/34/65/1438103465.db2.gz SMPHSMKLDLQTEL-IRFCIJBXSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001734441390 1438103466 /nfs/dbraw/zinc/10/34/66/1438103466.db2.gz SMPHSMKLDLQTEL-IRFCIJBXSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734605236 1438185424 /nfs/dbraw/zinc/18/54/24/1438185424.db2.gz YBSNUJJMDBQOLB-ROUUACIJSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000076734997 454031793 /nfs/dbraw/zinc/03/17/93/454031793.db2.gz QMCQNNLUHNTOAI-UHFFFAOYSA-N 2 1 347.528 3.072 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000192992403 455731911 /nfs/dbraw/zinc/73/19/11/455731911.db2.gz AEWNLWASOLTLDE-FBVQUNGASA-N 2 1 343.471 3.091 10 30 EGEEMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000192992403 455731915 /nfs/dbraw/zinc/73/19/15/455731915.db2.gz AEWNLWASOLTLDE-FBVQUNGASA-N 2 1 343.471 3.091 10 30 EGEEMP N#CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000596651314 459714584 /nfs/dbraw/zinc/71/45/84/459714584.db2.gz MLOYESTXXFLYNW-XLIONFOSSA-N 2 1 325.456 3.306 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000876737711 1298949692 /nfs/dbraw/zinc/94/96/92/1298949692.db2.gz WEBHHCUDYIVTQU-NJAFHUGGSA-N 2 1 349.906 3.140 10 30 EGEEMP C=CCOc1ccccc1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877665550 1299465977 /nfs/dbraw/zinc/46/59/77/1299465977.db2.gz YKSFRUYHMYPGCQ-UHFFFAOYSA-N 2 1 332.488 3.042 10 30 EGEEMP C=CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1CCCO1 ZINC000883195795 1302298710 /nfs/dbraw/zinc/29/87/10/1302298710.db2.gz CNACTYJVZPLBBS-MOPGFXCFSA-N 2 1 344.503 3.166 10 30 EGEEMP C[C@]12C[NH+](CCCSCC#N)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931216480 1329072613 /nfs/dbraw/zinc/07/26/13/1329072613.db2.gz HKMWKDVZXKHAGM-WOJBJXKFSA-N 2 1 343.540 3.477 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743479 1331176389 /nfs/dbraw/zinc/17/63/89/1331176389.db2.gz ATGVJKHBOWMTKF-IEBWSBKVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743479 1331176393 /nfs/dbraw/zinc/17/63/93/1331176393.db2.gz ATGVJKHBOWMTKF-IEBWSBKVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743479 1331176397 /nfs/dbraw/zinc/17/63/97/1331176397.db2.gz ATGVJKHBOWMTKF-IEBWSBKVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780404 1331191072 /nfs/dbraw/zinc/19/10/72/1331191072.db2.gz QEJNKFCJOXXHRZ-MRXNPFEDSA-N 2 1 349.544 3.216 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075274 1331321141 /nfs/dbraw/zinc/32/11/41/1331321141.db2.gz JZQXRMOTSCWOJB-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075274 1331321146 /nfs/dbraw/zinc/32/11/46/1331321146.db2.gz JZQXRMOTSCWOJB-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075274 1331321150 /nfs/dbraw/zinc/32/11/50/1331321150.db2.gz JZQXRMOTSCWOJB-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001323992339 1387505670 /nfs/dbraw/zinc/50/56/70/1387505670.db2.gz ADBGRYGUQRUEFK-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001323992339 1387505673 /nfs/dbraw/zinc/50/56/73/1387505673.db2.gz ADBGRYGUQRUEFK-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001324163962 1387549845 /nfs/dbraw/zinc/54/98/45/1387549845.db2.gz SELJQNKSFAJMAH-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001324740095 1387758616 /nfs/dbraw/zinc/75/86/16/1387758616.db2.gz FWZTWRSPKBTKJD-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944437 1387841502 /nfs/dbraw/zinc/84/15/02/1387841502.db2.gz QYTSZESZRYNSIC-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001324944437 1387841508 /nfs/dbraw/zinc/84/15/08/1387841508.db2.gz QYTSZESZRYNSIC-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324944437 1387841518 /nfs/dbraw/zinc/84/15/18/1387841518.db2.gz QYTSZESZRYNSIC-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327131919 1388395855 /nfs/dbraw/zinc/39/58/55/1388395855.db2.gz VXBBEBFBPJTWOR-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266502116 1377323538 /nfs/dbraw/zinc/32/35/38/1377323538.db2.gz WNWUAGWPPMCZGE-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001266502116 1377323542 /nfs/dbraw/zinc/32/35/42/1377323542.db2.gz WNWUAGWPPMCZGE-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001266502116 1377323546 /nfs/dbraw/zinc/32/35/46/1377323546.db2.gz WNWUAGWPPMCZGE-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001327493704 1388535994 /nfs/dbraw/zinc/53/59/94/1388535994.db2.gz UFXXJOMKFNWMOT-LJQANCHMSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001284544288 1379951503 /nfs/dbraw/zinc/95/15/03/1379951503.db2.gz PGANSIUUWRMSMY-UHFFFAOYSA-N 2 1 342.487 3.391 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328068530 1388660172 /nfs/dbraw/zinc/66/01/72/1388660172.db2.gz RICMHYZUFVBJAX-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068530 1388660176 /nfs/dbraw/zinc/66/01/76/1388660176.db2.gz RICMHYZUFVBJAX-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068530 1388660182 /nfs/dbraw/zinc/66/01/82/1388660182.db2.gz RICMHYZUFVBJAX-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP CC(C)C[N@@H+](CCOc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC001308028147 1384077367 /nfs/dbraw/zinc/07/73/67/1384077367.db2.gz RKXLTBDJRYOTFD-UHFFFAOYSA-N 2 1 329.488 3.237 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001316775869 1384575029 /nfs/dbraw/zinc/57/50/29/1384575029.db2.gz UIPYSQLZFGIKAA-UXHICEINSA-N 2 1 349.563 3.435 10 30 EGEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)CC(C)(C)C1 ZINC001316811854 1384610567 /nfs/dbraw/zinc/61/05/67/1384610567.db2.gz PMOZUXUVGOURQH-IBGZPJMESA-N 2 1 349.563 3.129 10 30 EGEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)CC(C)(C)C1 ZINC001316811854 1384610569 /nfs/dbraw/zinc/61/05/69/1384610569.db2.gz PMOZUXUVGOURQH-IBGZPJMESA-N 2 1 349.563 3.129 10 30 EGEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)CC(C)(C)C1 ZINC001316811854 1384610571 /nfs/dbraw/zinc/61/05/71/1384610571.db2.gz PMOZUXUVGOURQH-IBGZPJMESA-N 2 1 349.563 3.129 10 30 EGEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001317047424 1384823798 /nfs/dbraw/zinc/82/37/98/1384823798.db2.gz SXBVNDMGVJAVGJ-OKZBNKHCSA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001317047424 1384823801 /nfs/dbraw/zinc/82/38/01/1384823801.db2.gz SXBVNDMGVJAVGJ-OKZBNKHCSA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317209605 1384987756 /nfs/dbraw/zinc/98/77/56/1384987756.db2.gz SYPHIZFTQYQYFS-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209605 1384987761 /nfs/dbraw/zinc/98/77/61/1384987761.db2.gz SYPHIZFTQYQYFS-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209605 1384987766 /nfs/dbraw/zinc/98/77/66/1384987766.db2.gz SYPHIZFTQYQYFS-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001317688332 1385400135 /nfs/dbraw/zinc/40/01/35/1385400135.db2.gz WOFNCYZMVOBJLF-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804603 1385501499 /nfs/dbraw/zinc/50/14/99/1385501499.db2.gz CSFNHXHKBFUIOQ-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001317884585 1385563116 /nfs/dbraw/zinc/56/31/16/1385563116.db2.gz USGZSLOVKNRNGO-IBGZPJMESA-N 2 1 337.552 3.079 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317884585 1385563121 /nfs/dbraw/zinc/56/31/21/1385563121.db2.gz USGZSLOVKNRNGO-IBGZPJMESA-N 2 1 337.552 3.079 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317884585 1385563125 /nfs/dbraw/zinc/56/31/25/1385563125.db2.gz USGZSLOVKNRNGO-IBGZPJMESA-N 2 1 337.552 3.079 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001320114957 1386523153 /nfs/dbraw/zinc/52/31/53/1386523153.db2.gz NCEHQJXUEMPEPC-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001698696420 1406340009 /nfs/dbraw/zinc/34/00/09/1406340009.db2.gz HCORPQVTLTWBNI-FQEVSTJZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332218505 1390049892 /nfs/dbraw/zinc/04/98/92/1390049892.db2.gz LKVOZYUAWPGANI-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332218505 1390049897 /nfs/dbraw/zinc/04/98/97/1390049897.db2.gz LKVOZYUAWPGANI-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001332218505 1390049900 /nfs/dbraw/zinc/04/99/00/1390049900.db2.gz LKVOZYUAWPGANI-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001332218505 1390049906 /nfs/dbraw/zinc/04/99/06/1390049906.db2.gz LKVOZYUAWPGANI-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(CC(C)C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001349288491 1391317563 /nfs/dbraw/zinc/31/75/63/1391317563.db2.gz OEDYYHPGTVMHRE-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001479689126 1392320522 /nfs/dbraw/zinc/32/05/22/1392320522.db2.gz XZBQZLGCYBFAJO-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189859 1392619164 /nfs/dbraw/zinc/61/91/64/1392619164.db2.gz TUVCNVYVKMBJJY-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480785730 1392931892 /nfs/dbraw/zinc/93/18/92/1392931892.db2.gz HKUROGRQMFSBLJ-WBVHZDCISA-N 2 1 341.927 3.020 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001490792033 1394346355 /nfs/dbraw/zinc/34/63/55/1394346355.db2.gz PPORXGFVYJXCPL-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001490792033 1394346358 /nfs/dbraw/zinc/34/63/58/1394346358.db2.gz PPORXGFVYJXCPL-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001490792033 1394346362 /nfs/dbraw/zinc/34/63/62/1394346362.db2.gz PPORXGFVYJXCPL-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001482000126 1394659021 /nfs/dbraw/zinc/65/90/21/1394659021.db2.gz GUFOBAIQYVWVKD-VQTJNVASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001482070786 1394733218 /nfs/dbraw/zinc/73/32/18/1394733218.db2.gz KZXNVGMGJDDXKZ-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484059995 1395222726 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KOMFCVCOZIDYIS-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001484471201 1395405020 /nfs/dbraw/zinc/40/50/20/1395405020.db2.gz KOMFCVCOZIDYIS-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001484471578 1395406304 /nfs/dbraw/zinc/40/63/04/1395406304.db2.gz AFVDFERXFHGLOO-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC001485570328 1396035889 /nfs/dbraw/zinc/03/58/89/1396035889.db2.gz RBEHIGFTOGIUIM-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570328 1396035893 /nfs/dbraw/zinc/03/58/93/1396035893.db2.gz RBEHIGFTOGIUIM-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485570328 1396035899 /nfs/dbraw/zinc/03/58/99/1396035899.db2.gz RBEHIGFTOGIUIM-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001499566751 1396184171 /nfs/dbraw/zinc/18/41/71/1396184171.db2.gz GSUFINUQKFLEMA-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001499566751 1396184173 /nfs/dbraw/zinc/18/41/73/1396184173.db2.gz GSUFINUQKFLEMA-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001499566751 1396184178 /nfs/dbraw/zinc/18/41/78/1396184178.db2.gz GSUFINUQKFLEMA-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001495938351 1396572878 /nfs/dbraw/zinc/57/28/78/1396572878.db2.gz COZRYUOWDCKCDB-SFHVURJKSA-N 2 1 335.536 3.093 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001691271248 1405185520 /nfs/dbraw/zinc/18/55/20/1405185520.db2.gz BKUNNJRLQSLUEL-SXLOBPIMSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001692016992 1405736080 /nfs/dbraw/zinc/73/60/80/1405736080.db2.gz QNQLIBWVSSUVKJ-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001692016992 1405736083 /nfs/dbraw/zinc/73/60/83/1405736083.db2.gz QNQLIBWVSSUVKJ-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001692016992 1405736089 /nfs/dbraw/zinc/73/60/89/1405736089.db2.gz QNQLIBWVSSUVKJ-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732163298 1428406537 /nfs/dbraw/zinc/40/65/37/1428406537.db2.gz QKQIVTULTNGVHA-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001732273378 1428508904 /nfs/dbraw/zinc/50/89/04/1428508904.db2.gz TWGLHCWYQHQUAB-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684901 1413082423 /nfs/dbraw/zinc/08/24/23/1413082423.db2.gz XCAGBRDNJZQFFG-HDICACEKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684901 1413082426 /nfs/dbraw/zinc/08/24/26/1413082426.db2.gz XCAGBRDNJZQFFG-HDICACEKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684901 1413082430 /nfs/dbraw/zinc/08/24/30/1413082430.db2.gz XCAGBRDNJZQFFG-HDICACEKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699875204 1413329858 /nfs/dbraw/zinc/32/98/58/1413329858.db2.gz SXTGDVQJDPWLEA-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699875204 1413329863 /nfs/dbraw/zinc/32/98/63/1413329863.db2.gz SXTGDVQJDPWLEA-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699875204 1413329867 /nfs/dbraw/zinc/32/98/67/1413329867.db2.gz SXTGDVQJDPWLEA-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001700292467 1413747497 /nfs/dbraw/zinc/74/74/97/1413747497.db2.gz KSDVXFVJWAFSTK-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292467 1413747501 /nfs/dbraw/zinc/74/75/01/1413747501.db2.gz KSDVXFVJWAFSTK-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292467 1413747504 /nfs/dbraw/zinc/74/75/04/1413747504.db2.gz KSDVXFVJWAFSTK-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313025 1413767473 /nfs/dbraw/zinc/76/74/73/1413767473.db2.gz FASISSXLIOFYMX-ZWKOTPCHSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575415 1414249166 /nfs/dbraw/zinc/24/91/66/1414249166.db2.gz XFUFJWAIPWBKKJ-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575415 1414249168 /nfs/dbraw/zinc/24/91/68/1414249168.db2.gz XFUFJWAIPWBKKJ-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575415 1414249172 /nfs/dbraw/zinc/24/91/72/1414249172.db2.gz XFUFJWAIPWBKKJ-GBESFXJTSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001700868585 1414521599 /nfs/dbraw/zinc/52/15/99/1414521599.db2.gz RLWGEKLUXRSLMD-QKNQBKEWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001700868585 1414521601 /nfs/dbraw/zinc/52/16/01/1414521601.db2.gz RLWGEKLUXRSLMD-QKNQBKEWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001707237043 1417257582 /nfs/dbraw/zinc/25/75/82/1417257582.db2.gz HTRYUFDZAUDDQU-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713135650 1417716276 /nfs/dbraw/zinc/71/62/76/1417716276.db2.gz NYIJLKZFBBQTLQ-IBGZPJMESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001713592002 1418385991 /nfs/dbraw/zinc/38/59/91/1418385991.db2.gz FYNCYNBXSBWXIY-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001713764851 1418577596 /nfs/dbraw/zinc/57/75/96/1418577596.db2.gz RSARHWIFADAZGK-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001713764851 1418577602 /nfs/dbraw/zinc/57/76/02/1418577602.db2.gz RSARHWIFADAZGK-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001713764851 1418577607 /nfs/dbraw/zinc/57/76/07/1418577607.db2.gz RSARHWIFADAZGK-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713767343 1418582504 /nfs/dbraw/zinc/58/25/04/1418582504.db2.gz QLKILNSZWUXGLI-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899850 1418699561 /nfs/dbraw/zinc/69/95/61/1418699561.db2.gz KTQNUEAUHNRLLP-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713957478 1418739556 /nfs/dbraw/zinc/73/95/56/1418739556.db2.gz ANNRNHDNZMNRKZ-SOAMZJECSA-N 2 1 347.547 3.375 10 30 EGEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001714190558 1418997148 /nfs/dbraw/zinc/99/71/48/1418997148.db2.gz AYWWAZPAPFQERI-CTWPCTMYSA-N 2 1 337.552 3.458 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001714190944 1418997497 /nfs/dbraw/zinc/99/74/97/1418997497.db2.gz RMZBOUIVNOTEKN-ACBHZAAOSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC001714972918 1419707586 /nfs/dbraw/zinc/70/75/86/1419707586.db2.gz AJUXQRMEEHJCDD-WOJBJXKFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715202850 1419935869 /nfs/dbraw/zinc/93/58/69/1419935869.db2.gz CFBOIGQHRZSAHW-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716711194 1420863773 /nfs/dbraw/zinc/86/37/73/1420863773.db2.gz UAPHSEQILRXXAP-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716711194 1420863777 /nfs/dbraw/zinc/86/37/77/1420863777.db2.gz UAPHSEQILRXXAP-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716711194 1420863779 /nfs/dbraw/zinc/86/37/79/1420863779.db2.gz UAPHSEQILRXXAP-YSTOQKLRSA-N 2 1 349.563 3.362 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001716829708 1420956069 /nfs/dbraw/zinc/95/60/69/1420956069.db2.gz BCVCYFAANTXGCV-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001716829707 1420956125 /nfs/dbraw/zinc/95/61/25/1420956125.db2.gz BCVCYFAANTXGCV-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001716868895 1420996950 /nfs/dbraw/zinc/99/69/50/1420996950.db2.gz DGFVNSFJYKJZAY-NRFANRHFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001716871857 1420999101 /nfs/dbraw/zinc/99/91/01/1420999101.db2.gz WZGHYJKQISOVHA-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903109 1421036306 /nfs/dbraw/zinc/03/63/06/1421036306.db2.gz XETBRUDZLAOUAP-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903109 1421036307 /nfs/dbraw/zinc/03/63/07/1421036307.db2.gz XETBRUDZLAOUAP-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716966203 1421055234 /nfs/dbraw/zinc/05/52/34/1421055234.db2.gz NXMBTELJOGBRIK-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717200295 1421167164 /nfs/dbraw/zinc/16/71/64/1421167164.db2.gz COHDLCINVQQQPT-FQEVSTJZSA-N 2 1 343.515 3.299 10 30 EGEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001717347846 1421286591 /nfs/dbraw/zinc/28/65/91/1421286591.db2.gz KQOOOWSIJBRADZ-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC001717631448 1421540908 /nfs/dbraw/zinc/54/09/08/1421540908.db2.gz VPSSRVXAPUNMOG-JYRKZWEQSA-N 2 1 349.563 3.098 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717681484 1421563704 /nfs/dbraw/zinc/56/37/04/1421563704.db2.gz FXFSCDVGDPDNHT-PKOBYXMFSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001733513838 1429722220 /nfs/dbraw/zinc/72/22/20/1429722220.db2.gz OJPXGGIEGCWUBA-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001723634760 1424501426 /nfs/dbraw/zinc/50/14/26/1424501426.db2.gz QWTQZOQZWCMKCL-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001723634760 1424501429 /nfs/dbraw/zinc/50/14/29/1424501429.db2.gz QWTQZOQZWCMKCL-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001723634760 1424501435 /nfs/dbraw/zinc/50/14/35/1424501435.db2.gz QWTQZOQZWCMKCL-AQNXPRMDSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001723691804 1424532200 /nfs/dbraw/zinc/53/22/00/1424532200.db2.gz RXFOHOGVUSQINK-TZIWHRDSSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001723691804 1424532206 /nfs/dbraw/zinc/53/22/06/1424532206.db2.gz RXFOHOGVUSQINK-TZIWHRDSSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001723691804 1424532207 /nfs/dbraw/zinc/53/22/07/1424532207.db2.gz RXFOHOGVUSQINK-TZIWHRDSSA-N 2 1 349.563 3.223 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001724610574 1424949937 /nfs/dbraw/zinc/94/99/37/1424949937.db2.gz IQIQHSYZCLNYAY-MUGJNUQGSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001724962471 1425351748 /nfs/dbraw/zinc/35/17/48/1425351748.db2.gz BBAYWJSHLNJIRP-UHFFFAOYSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001724962471 1425351756 /nfs/dbraw/zinc/35/17/56/1425351756.db2.gz BBAYWJSHLNJIRP-UHFFFAOYSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725058518 1425497792 /nfs/dbraw/zinc/49/77/92/1425497792.db2.gz LJOBZUITUAAZJU-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725058518 1425497794 /nfs/dbraw/zinc/49/77/94/1425497794.db2.gz LJOBZUITUAAZJU-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001725066384 1425507937 /nfs/dbraw/zinc/50/79/37/1425507937.db2.gz WCJCBILQUKMYRN-JLAWEPINSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001725227751 1425797147 /nfs/dbraw/zinc/79/71/47/1425797147.db2.gz BLLPVIXRMTYQJV-OALUTQOASA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725422758 1426075426 /nfs/dbraw/zinc/07/54/26/1426075426.db2.gz AABXTSJJMCVYGI-QGZVFWFLSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001725640790 1426318590 /nfs/dbraw/zinc/31/85/90/1426318590.db2.gz YPIGEDIZBUFDEK-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001725645280 1426327676 /nfs/dbraw/zinc/32/76/76/1426327676.db2.gz ZNVBWLRKTPCWDC-UYAOXDASSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001725645280 1426327679 /nfs/dbraw/zinc/32/76/79/1426327679.db2.gz ZNVBWLRKTPCWDC-UYAOXDASSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001725763415 1426444960 /nfs/dbraw/zinc/44/49/60/1426444960.db2.gz VNYYWYVHYVTUGL-MRXNPFEDSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553837 1427577336 /nfs/dbraw/zinc/57/73/36/1427577336.db2.gz YYKPMHNIBAOZCL-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715591 1427779249 /nfs/dbraw/zinc/77/92/49/1427779249.db2.gz QMXIZBOXXVOPJR-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733898232 1437715584 /nfs/dbraw/zinc/71/55/84/1437715584.db2.gz IFWUEIZSCKBBEF-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001734010411 1437801904 /nfs/dbraw/zinc/80/19/04/1437801904.db2.gz AMIADCDMDOYUKH-ACBHZAAOSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001734117228 1437899216 /nfs/dbraw/zinc/89/92/16/1437899216.db2.gz PXPMGOZQOIKWCI-DLBZAZTESA-N 2 1 349.563 3.431 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447342 1438107919 /nfs/dbraw/zinc/10/79/19/1438107919.db2.gz ZKLTWZBYFXFRQD-QKNQBKEWSA-N 2 1 347.547 3.330 10 30 EGEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716560 460576227 /nfs/dbraw/zinc/57/62/27/460576227.db2.gz HEXHBDJSAGPUPH-YLJYHZDGSA-N 2 1 341.499 3.063 10 30 EGEEMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000356216824 457541859 /nfs/dbraw/zinc/54/18/59/457541859.db2.gz CRNMGJFQTIJQDL-UHFFFAOYSA-N 2 1 325.378 3.351 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722615 461913861 /nfs/dbraw/zinc/91/38/61/461913861.db2.gz XWZKIDQILNTTOM-SXLOBPIMSA-N 2 1 330.472 3.112 10 30 EGEEMP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722574 461914054 /nfs/dbraw/zinc/91/40/54/461914054.db2.gz WTBTVOLLMJMDBK-DFQSSKMNSA-N 2 1 330.472 3.112 10 30 EGEEMP C=CCC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000883202416 1302302006 /nfs/dbraw/zinc/30/20/06/1302302006.db2.gz AIGJHQARLLCJON-OALUTQOASA-N 2 1 336.520 3.125 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973095 1331281898 /nfs/dbraw/zinc/28/18/98/1331281898.db2.gz RPEZREZYSABICL-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973095 1331281903 /nfs/dbraw/zinc/28/19/03/1331281903.db2.gz RPEZREZYSABICL-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973095 1331281905 /nfs/dbraw/zinc/28/19/05/1331281905.db2.gz RPEZREZYSABICL-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000941068285 1331318809 /nfs/dbraw/zinc/31/88/09/1331318809.db2.gz ONFCUSNAUZQYHQ-QGZVFWFLSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068285 1331318812 /nfs/dbraw/zinc/31/88/12/1331318812.db2.gz ONFCUSNAUZQYHQ-QGZVFWFLSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068285 1331318816 /nfs/dbraw/zinc/31/88/16/1331318816.db2.gz ONFCUSNAUZQYHQ-QGZVFWFLSA-N 2 1 346.519 3.189 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001326589796 1388250362 /nfs/dbraw/zinc/25/03/62/1388250362.db2.gz BIWXLEHZMSJKBA-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001139869706 1377967026 /nfs/dbraw/zinc/96/70/26/1377967026.db2.gz QKUPGRFVASZSIP-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001139869706 1377967041 /nfs/dbraw/zinc/96/70/41/1377967041.db2.gz QKUPGRFVASZSIP-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001139869706 1377967045 /nfs/dbraw/zinc/96/70/45/1377967045.db2.gz QKUPGRFVASZSIP-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274643241 1378131596 /nfs/dbraw/zinc/13/15/96/1378131596.db2.gz IYANYNOZVWMLLI-PKOBYXMFSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812359 1378623137 /nfs/dbraw/zinc/62/31/37/1378623137.db2.gz UOCCMBRJOWTLNI-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812359 1378623138 /nfs/dbraw/zinc/62/31/38/1378623138.db2.gz UOCCMBRJOWTLNI-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553637 1379961954 /nfs/dbraw/zinc/96/19/54/1379961954.db2.gz RFDIMBBOWQJXDZ-RBUKOAKNSA-N 2 1 337.552 3.242 10 30 EGEEMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307879326 1384049702 /nfs/dbraw/zinc/04/97/02/1384049702.db2.gz KCVQWIIQPDZDJW-QFIPXVFZSA-N 2 1 349.478 3.114 10 30 EGEEMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307879326 1384049707 /nfs/dbraw/zinc/04/97/07/1384049707.db2.gz KCVQWIIQPDZDJW-QFIPXVFZSA-N 2 1 349.478 3.114 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317210369 1384989280 /nfs/dbraw/zinc/98/92/80/1384989280.db2.gz XPRPAJXERGHECD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210369 1384989282 /nfs/dbraw/zinc/98/92/82/1384989282.db2.gz XPRPAJXERGHECD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210369 1384989284 /nfs/dbraw/zinc/98/92/84/1384989284.db2.gz XPRPAJXERGHECD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001318201798 1385628118 /nfs/dbraw/zinc/62/81/18/1385628118.db2.gz SOQWPYADNKUKQD-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001318201798 1385628120 /nfs/dbraw/zinc/62/81/20/1385628120.db2.gz SOQWPYADNKUKQD-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001318201798 1385628124 /nfs/dbraw/zinc/62/81/24/1385628124.db2.gz SOQWPYADNKUKQD-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109265 1389987535 /nfs/dbraw/zinc/98/75/35/1389987535.db2.gz FLCIRXGKVWTCCZ-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109265 1389987539 /nfs/dbraw/zinc/98/75/39/1389987539.db2.gz FLCIRXGKVWTCCZ-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC001341062545 1390434771 /nfs/dbraw/zinc/43/47/71/1390434771.db2.gz XNSWQCRUSMCVMZ-LFUKPOHLSA-N 2 1 334.467 3.199 10 30 EGEEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC001341062545 1390434772 /nfs/dbraw/zinc/43/47/72/1390434772.db2.gz XNSWQCRUSMCVMZ-LFUKPOHLSA-N 2 1 334.467 3.199 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480079810 1392569251 /nfs/dbraw/zinc/56/92/51/1392569251.db2.gz PMIYVFORRHKTNG-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079810 1392569254 /nfs/dbraw/zinc/56/92/54/1392569254.db2.gz PMIYVFORRHKTNG-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079810 1392569257 /nfs/dbraw/zinc/56/92/57/1392569257.db2.gz PMIYVFORRHKTNG-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480267130 1392651266 /nfs/dbraw/zinc/65/12/66/1392651266.db2.gz GTNZICFJWNYPFL-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001480267130 1392651267 /nfs/dbraw/zinc/65/12/67/1392651267.db2.gz GTNZICFJWNYPFL-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001480267130 1392651268 /nfs/dbraw/zinc/65/12/68/1392651268.db2.gz GTNZICFJWNYPFL-AZUAARDMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001481350549 1393172784 /nfs/dbraw/zinc/17/27/84/1393172784.db2.gz MDVOOLGRIOGHDH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001481350549 1393172785 /nfs/dbraw/zinc/17/27/85/1393172785.db2.gz MDVOOLGRIOGHDH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001481350549 1393172786 /nfs/dbraw/zinc/17/27/86/1393172786.db2.gz MDVOOLGRIOGHDH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481528173 1394383118 /nfs/dbraw/zinc/38/31/18/1394383118.db2.gz UQHXKSKFIQEKMA-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481528173 1394383121 /nfs/dbraw/zinc/38/31/21/1394383121.db2.gz UQHXKSKFIQEKMA-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481528173 1394383129 /nfs/dbraw/zinc/38/31/29/1394383129.db2.gz UQHXKSKFIQEKMA-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001491253506 1394492440 /nfs/dbraw/zinc/49/24/40/1394492440.db2.gz NXDCXBQBYFKJBC-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482048738 1394711286 /nfs/dbraw/zinc/71/12/86/1394711286.db2.gz CENPVVHVHKFYIM-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482495640 1395047753 /nfs/dbraw/zinc/04/77/53/1395047753.db2.gz RWESNYXWRVMSRO-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001482507892 1395061267 /nfs/dbraw/zinc/06/12/67/1395061267.db2.gz SXGULMAAAJMAGW-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001483815649 1395101134 /nfs/dbraw/zinc/10/11/34/1395101134.db2.gz ZUFWNCCNIWIEPJ-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001483815649 1395101142 /nfs/dbraw/zinc/10/11/42/1395101142.db2.gz ZUFWNCCNIWIEPJ-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001483815649 1395101143 /nfs/dbraw/zinc/10/11/43/1395101143.db2.gz ZUFWNCCNIWIEPJ-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001485767327 1396144610 /nfs/dbraw/zinc/14/46/10/1396144610.db2.gz XRFYODLSCSXCKP-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485767327 1396144613 /nfs/dbraw/zinc/14/46/13/1396144613.db2.gz XRFYODLSCSXCKP-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001485767327 1396144618 /nfs/dbraw/zinc/14/46/18/1396144618.db2.gz XRFYODLSCSXCKP-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001485768004 1396145098 /nfs/dbraw/zinc/14/50/98/1396145098.db2.gz WOWJJHBLMMHEML-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001485779146 1396149070 /nfs/dbraw/zinc/14/90/70/1396149070.db2.gz VWTDVXRNZXXTRT-MSOLQXFVSA-N 2 1 349.906 3.060 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842880 1396499557 /nfs/dbraw/zinc/49/95/57/1396499557.db2.gz VCWLVAZOEKPXLI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494842880 1396499562 /nfs/dbraw/zinc/49/95/62/1396499562.db2.gz VCWLVAZOEKPXLI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494842880 1396499566 /nfs/dbraw/zinc/49/95/66/1396499566.db2.gz VCWLVAZOEKPXLI-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496396643 1396687158 /nfs/dbraw/zinc/68/71/58/1396687158.db2.gz RKMDZGPPLMYNMF-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690896859 1404805790 /nfs/dbraw/zinc/80/57/90/1404805790.db2.gz JFBLFQKFBWAWBN-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691814252 1405528518 /nfs/dbraw/zinc/52/85/18/1405528518.db2.gz URGDLWHWFOCEKV-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691814252 1405528523 /nfs/dbraw/zinc/52/85/23/1405528523.db2.gz URGDLWHWFOCEKV-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691814252 1405528525 /nfs/dbraw/zinc/52/85/25/1405528525.db2.gz URGDLWHWFOCEKV-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001691818464 1405533240 /nfs/dbraw/zinc/53/32/40/1405533240.db2.gz CWVKVVFYKZUPAQ-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818464 1405533243 /nfs/dbraw/zinc/53/32/43/1405533243.db2.gz CWVKVVFYKZUPAQ-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818464 1405533248 /nfs/dbraw/zinc/53/32/48/1405533248.db2.gz CWVKVVFYKZUPAQ-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280742 1405917932 /nfs/dbraw/zinc/91/79/32/1405917932.db2.gz CKULQKJVORGDQN-OTWHNJEPSA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280742 1405917937 /nfs/dbraw/zinc/91/79/37/1405917937.db2.gz CKULQKJVORGDQN-OTWHNJEPSA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280742 1405917940 /nfs/dbraw/zinc/91/79/40/1405917940.db2.gz CKULQKJVORGDQN-OTWHNJEPSA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001699685206 1413083460 /nfs/dbraw/zinc/08/34/60/1413083460.db2.gz IQPCZZMJSNQDKV-HXUWFJFHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001699714181 1413127351 /nfs/dbraw/zinc/12/73/51/1413127351.db2.gz BOGIQKICVFBUSK-ZWKOTPCHSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001699805627 1413220023 /nfs/dbraw/zinc/22/00/23/1413220023.db2.gz VUWDHUFUEMUOFV-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001699879790 1413345769 /nfs/dbraw/zinc/34/57/69/1413345769.db2.gz YHVNMSMTZSLPNF-FQEVSTJZSA-N 2 1 335.536 3.047 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001699975901 1413417474 /nfs/dbraw/zinc/41/74/74/1413417474.db2.gz KXOQBEBSRWIUNW-IZBJGVDFSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001699975901 1413417477 /nfs/dbraw/zinc/41/74/77/1413417477.db2.gz KXOQBEBSRWIUNW-IZBJGVDFSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001699975901 1413417481 /nfs/dbraw/zinc/41/74/81/1413417481.db2.gz KXOQBEBSRWIUNW-IZBJGVDFSA-N 2 1 347.547 3.185 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001700093876 1413508036 /nfs/dbraw/zinc/50/80/36/1413508036.db2.gz CTQCYYDJJSLZDB-APWZRJJASA-N 2 1 329.488 3.014 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001700199464 1413641694 /nfs/dbraw/zinc/64/16/94/1413641694.db2.gz WIVLMFXYIMUVLD-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199464 1413641697 /nfs/dbraw/zinc/64/16/97/1413641697.db2.gz WIVLMFXYIMUVLD-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199464 1413641701 /nfs/dbraw/zinc/64/17/01/1413641701.db2.gz WIVLMFXYIMUVLD-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700340515 1413819902 /nfs/dbraw/zinc/81/99/02/1413819902.db2.gz YSCGBPYMPUISHQ-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700340515 1413819905 /nfs/dbraw/zinc/81/99/05/1413819905.db2.gz YSCGBPYMPUISHQ-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700340515 1413819909 /nfs/dbraw/zinc/81/99/09/1413819909.db2.gz YSCGBPYMPUISHQ-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700919401 1414571537 /nfs/dbraw/zinc/57/15/37/1414571537.db2.gz WQNUHYJMJJMGSW-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001732603893 1428855664 /nfs/dbraw/zinc/85/56/64/1428855664.db2.gz AEWQNQSGRUFRDY-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001732603893 1428855666 /nfs/dbraw/zinc/85/56/66/1428855666.db2.gz AEWQNQSGRUFRDY-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001732603893 1428855668 /nfs/dbraw/zinc/85/56/68/1428855668.db2.gz AEWQNQSGRUFRDY-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001707173760 1417229153 /nfs/dbraw/zinc/22/91/53/1417229153.db2.gz GGYGOKMWHXQEPE-QRVBRYPASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001712999060 1417551475 /nfs/dbraw/zinc/55/14/75/1417551475.db2.gz JPNOJVJOIBGBOW-IEBWSBKVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713136263 1417717719 /nfs/dbraw/zinc/71/77/19/1417717719.db2.gz BOXGOPZQSFHUPQ-LJQANCHMSA-N 2 1 343.515 3.108 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001713933007 1418722769 /nfs/dbraw/zinc/72/27/69/1418722769.db2.gz FIVRGEUVKSYMDL-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713933007 1418722771 /nfs/dbraw/zinc/72/27/71/1418722771.db2.gz FIVRGEUVKSYMDL-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001713933007 1418722772 /nfs/dbraw/zinc/72/27/72/1418722772.db2.gz FIVRGEUVKSYMDL-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714085050 1418878792 /nfs/dbraw/zinc/87/87/92/1418878792.db2.gz OGLNKUKNOSNYNT-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622130 1419389937 /nfs/dbraw/zinc/38/99/37/1419389937.db2.gz KVPUPXOYCVFBPX-FXAWDEMLSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001714914867 1419664291 /nfs/dbraw/zinc/66/42/91/1419664291.db2.gz ZQAKHIXCVPVFSX-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001715204582 1419938491 /nfs/dbraw/zinc/93/84/91/1419938491.db2.gz RCZHGNYZKBCZTM-HDICACEKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001733272937 1429435553 /nfs/dbraw/zinc/43/55/53/1429435553.db2.gz XIWWSYNVIQLUQI-XUBOLADHSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717037401 1421091562 /nfs/dbraw/zinc/09/15/62/1421091562.db2.gz KYTATCDIOBFUNL-CEXWTWQISA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001733287697 1429463163 /nfs/dbraw/zinc/46/31/63/1429463163.db2.gz RJGQLMWMJRQRMS-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287697 1429463165 /nfs/dbraw/zinc/46/31/65/1429463165.db2.gz RJGQLMWMJRQRMS-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001733287697 1429463168 /nfs/dbraw/zinc/46/31/68/1429463168.db2.gz RJGQLMWMJRQRMS-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717357557 1421293432 /nfs/dbraw/zinc/29/34/32/1421293432.db2.gz UJSASNUZPASRFS-HXUWFJFHSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717357557 1421293434 /nfs/dbraw/zinc/29/34/34/1421293434.db2.gz UJSASNUZPASRFS-HXUWFJFHSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001717523161 1421459074 /nfs/dbraw/zinc/45/90/74/1421459074.db2.gz HGBNPTBQNHFHCX-GOSISDBHSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717536161 1421473596 /nfs/dbraw/zinc/47/35/96/1421473596.db2.gz FJLQNKFYCAGOGP-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717536161 1421473597 /nfs/dbraw/zinc/47/35/97/1421473597.db2.gz FJLQNKFYCAGOGP-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717536161 1421473598 /nfs/dbraw/zinc/47/35/98/1421473598.db2.gz FJLQNKFYCAGOGP-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583978 1421510918 /nfs/dbraw/zinc/51/09/18/1421510918.db2.gz OLMVQWLJPFNETH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583978 1421510921 /nfs/dbraw/zinc/51/09/21/1421510921.db2.gz OLMVQWLJPFNETH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583978 1421510926 /nfs/dbraw/zinc/51/09/26/1421510926.db2.gz OLMVQWLJPFNETH-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001717629254 1421538467 /nfs/dbraw/zinc/53/84/67/1421538467.db2.gz OKDOEDMETSQGNL-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001717629254 1421538469 /nfs/dbraw/zinc/53/84/69/1421538469.db2.gz OKDOEDMETSQGNL-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001717629254 1421538471 /nfs/dbraw/zinc/53/84/71/1421538471.db2.gz OKDOEDMETSQGNL-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630068 1421539012 /nfs/dbraw/zinc/53/90/12/1421539012.db2.gz CLHLRNVHXZAAEQ-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630068 1421539015 /nfs/dbraw/zinc/53/90/15/1421539015.db2.gz CLHLRNVHXZAAEQ-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733419161 1429624130 /nfs/dbraw/zinc/62/41/30/1429624130.db2.gz TYBXEXVLTNWJBI-OAQYLSRUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733449109 1429659961 /nfs/dbraw/zinc/65/99/61/1429659961.db2.gz XHHZQEHPYBFPBG-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001724285968 1424775846 /nfs/dbraw/zinc/77/58/46/1424775846.db2.gz XHSLJUSVKJZGDK-SFHVURJKSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001733565374 1429766442 /nfs/dbraw/zinc/76/64/42/1429766442.db2.gz GAYHQNQOECGBOM-UJMXGEILSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001733565374 1429766446 /nfs/dbraw/zinc/76/64/46/1429766446.db2.gz GAYHQNQOECGBOM-UJMXGEILSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001733565374 1429766449 /nfs/dbraw/zinc/76/64/49/1429766449.db2.gz GAYHQNQOECGBOM-UJMXGEILSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001724615176 1424961886 /nfs/dbraw/zinc/96/18/86/1424961886.db2.gz WRCQMCFFYDJIFF-REPLKXPHSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733568928 1429771483 /nfs/dbraw/zinc/77/14/83/1429771483.db2.gz VXGYPYAUTLUTQG-UFYCRDLUSA-N 2 1 349.563 3.339 10 30 EGEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001725335992 1425981900 /nfs/dbraw/zinc/98/19/00/1425981900.db2.gz LTSKKCKNMHIFDC-FHWLQOOXSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001725335992 1425981901 /nfs/dbraw/zinc/98/19/01/1425981901.db2.gz LTSKKCKNMHIFDC-FHWLQOOXSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001725335992 1425981903 /nfs/dbraw/zinc/98/19/03/1425981903.db2.gz LTSKKCKNMHIFDC-FHWLQOOXSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001731351966 1427291135 /nfs/dbraw/zinc/29/11/35/1427291135.db2.gz IPLGHDFGZDUKPD-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470529 1427450869 /nfs/dbraw/zinc/45/08/69/1427450869.db2.gz JLZNTWXMELJHHB-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731536969 1427535715 /nfs/dbraw/zinc/53/57/15/1427535715.db2.gz PLYSLWZMUVJILC-UXHICEINSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733805606 1430076186 /nfs/dbraw/zinc/07/61/86/1430076186.db2.gz UMJCZTMHQPBIAW-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001733897186 1437715142 /nfs/dbraw/zinc/71/51/42/1437715142.db2.gz CLTNIOKXBVAQLI-DOTOQJQBSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001750945563 1440118521 /nfs/dbraw/zinc/11/85/21/1440118521.db2.gz SEOMPKAOSJNEHI-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C[NH+](C)CCCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459367381 270054901 /nfs/dbraw/zinc/05/49/01/270054901.db2.gz DRJQBJOPBMKFMY-UHFFFAOYSA-N 2 1 330.432 3.020 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000247250421 455579233 /nfs/dbraw/zinc/57/92/33/455579233.db2.gz XEOAUNKEXNCPDH-ZWKOTPCHSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000247250421 455579235 /nfs/dbraw/zinc/57/92/35/455579235.db2.gz XEOAUNKEXNCPDH-ZWKOTPCHSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1O ZINC000247250421 455579236 /nfs/dbraw/zinc/57/92/36/455579236.db2.gz XEOAUNKEXNCPDH-ZWKOTPCHSA-N 2 1 330.472 3.045 10 30 EGEEMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1O ZINC000247250421 455579238 /nfs/dbraw/zinc/57/92/38/455579238.db2.gz XEOAUNKEXNCPDH-ZWKOTPCHSA-N 2 1 330.472 3.045 10 30 EGEEMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1C#N ZINC000281672666 456289413 /nfs/dbraw/zinc/28/94/13/456289413.db2.gz LQUFBQCPUXWDJN-UHFFFAOYSA-N 2 1 327.472 3.454 10 30 EGEEMP CC1(C#N)CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000449063705 458419759 /nfs/dbraw/zinc/41/97/59/458419759.db2.gz QWAYIBPLMWIUCJ-UHFFFAOYSA-N 2 1 327.472 3.081 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000424168969 458576712 /nfs/dbraw/zinc/57/67/12/458576712.db2.gz HBPZEHCZUABVQB-PXNSSMCTSA-N 2 1 332.463 3.013 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000424291550 458604862 /nfs/dbraw/zinc/60/48/62/458604862.db2.gz DPYRRCUKBLQHAF-KGWSWXIGSA-N 2 1 340.511 3.468 10 30 EGEEMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764650 459431198 /nfs/dbraw/zinc/43/11/98/459431198.db2.gz KHBQGCBCJLZNGY-UHFFFAOYSA-N 2 1 338.455 3.139 10 30 EGEEMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000595892744 459478441 /nfs/dbraw/zinc/47/84/41/459478441.db2.gz LQQSDMYMBPYFAM-JMSVASOKSA-N 2 1 325.378 3.382 10 30 EGEEMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000595892744 459478445 /nfs/dbraw/zinc/47/84/45/459478445.db2.gz LQQSDMYMBPYFAM-JMSVASOKSA-N 2 1 325.378 3.382 10 30 EGEEMP C[N@H+]1CCCC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994306 460119990 /nfs/dbraw/zinc/11/99/90/460119990.db2.gz JJTQRUVKYZNDJU-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994306 460119998 /nfs/dbraw/zinc/11/99/98/460119998.db2.gz JJTQRUVKYZNDJU-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994306 460120005 /nfs/dbraw/zinc/12/00/05/460120005.db2.gz JJTQRUVKYZNDJU-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722577 461914427 /nfs/dbraw/zinc/91/44/27/461914427.db2.gz WTBTVOLLMJMDBK-SXLOBPIMSA-N 2 1 330.472 3.112 10 30 EGEEMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1cccs1 ZINC000252486424 1296461477 /nfs/dbraw/zinc/46/14/77/1296461477.db2.gz JYOLFIDLWONDII-YOEHRIQHSA-N 2 1 334.533 3.368 10 30 EGEEMP C=CCc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1O ZINC000873223447 1297364663 /nfs/dbraw/zinc/36/46/63/1297364663.db2.gz NPAXSWFUFVQYKS-FQEVSTJZSA-N 2 1 332.488 3.326 10 30 EGEEMP C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCN1c1cc[nH+]cc1 ZINC000895554560 1309398930 /nfs/dbraw/zinc/39/89/30/1309398930.db2.gz SVLJNENZIMLOTK-SFHVURJKSA-N 2 1 349.482 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324642909 1387715931 /nfs/dbraw/zinc/71/59/31/1387715931.db2.gz ZLGXYHWJDJLCSC-BJLQDIEVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001324642909 1387715933 /nfs/dbraw/zinc/71/59/33/1387715933.db2.gz ZLGXYHWJDJLCSC-BJLQDIEVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001324642909 1387715937 /nfs/dbraw/zinc/71/59/37/1387715937.db2.gz ZLGXYHWJDJLCSC-BJLQDIEVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001327162525 1388415570 /nfs/dbraw/zinc/41/55/70/1388415570.db2.gz JMGUHDRPYUMVRK-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001327162525 1388415576 /nfs/dbraw/zinc/41/55/76/1388415576.db2.gz JMGUHDRPYUMVRK-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001327162525 1388415582 /nfs/dbraw/zinc/41/55/82/1388415582.db2.gz JMGUHDRPYUMVRK-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265436579 1377152595 /nfs/dbraw/zinc/15/25/95/1377152595.db2.gz KMDBPRPGZQFCQQ-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553635 1379961119 /nfs/dbraw/zinc/96/11/19/1379961119.db2.gz RFDIMBBOWQJXDZ-MOPGFXCFSA-N 2 1 337.552 3.242 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC001308421883 1384124886 /nfs/dbraw/zinc/12/48/86/1384124886.db2.gz DDWZJUQCCHPGCG-UHFFFAOYSA-N 2 1 332.394 3.486 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC001308421883 1384124887 /nfs/dbraw/zinc/12/48/87/1384124887.db2.gz DDWZJUQCCHPGCG-UHFFFAOYSA-N 2 1 332.394 3.486 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001316722770 1384542665 /nfs/dbraw/zinc/54/26/65/1384542665.db2.gz NZSRBUGSSGAZIJ-HOJAQTOUSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316722770 1384542668 /nfs/dbraw/zinc/54/26/68/1384542668.db2.gz NZSRBUGSSGAZIJ-HOJAQTOUSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316722770 1384542669 /nfs/dbraw/zinc/54/26/69/1384542669.db2.gz NZSRBUGSSGAZIJ-HOJAQTOUSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137558 1384902444 /nfs/dbraw/zinc/90/24/44/1384902444.db2.gz MQIYWDBMQOLYNJ-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137558 1384902447 /nfs/dbraw/zinc/90/24/47/1384902447.db2.gz MQIYWDBMQOLYNJ-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317173895 1384943113 /nfs/dbraw/zinc/94/31/13/1384943113.db2.gz PQHJRHYLDIVEMW-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001175360903 1385266367 /nfs/dbraw/zinc/26/63/67/1385266367.db2.gz CCIRIQRSYAHNDN-MOPGFXCFSA-N 2 1 333.520 3.018 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317687205 1385398457 /nfs/dbraw/zinc/39/84/57/1385398457.db2.gz QSCSOMULMAUDGK-PKOBYXMFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791146 1385483916 /nfs/dbraw/zinc/48/39/16/1385483916.db2.gz ZRPDWMDAKRQXFZ-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317791146 1385483921 /nfs/dbraw/zinc/48/39/21/1385483921.db2.gz ZRPDWMDAKRQXFZ-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317791146 1385483924 /nfs/dbraw/zinc/48/39/24/1385483924.db2.gz ZRPDWMDAKRQXFZ-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317801548 1385494803 /nfs/dbraw/zinc/49/48/03/1385494803.db2.gz CZAKCJWVNWVYLQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317801548 1385494806 /nfs/dbraw/zinc/49/48/06/1385494806.db2.gz CZAKCJWVNWVYLQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317801548 1385494809 /nfs/dbraw/zinc/49/48/09/1385494809.db2.gz CZAKCJWVNWVYLQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001318201794 1385627919 /nfs/dbraw/zinc/62/79/19/1385627919.db2.gz SOQWPYADNKUKQD-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001318201794 1385627924 /nfs/dbraw/zinc/62/79/24/1385627924.db2.gz SOQWPYADNKUKQD-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001318201794 1385627925 /nfs/dbraw/zinc/62/79/25/1385627925.db2.gz SOQWPYADNKUKQD-FHWLQOOXSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001318966620 1385901736 /nfs/dbraw/zinc/90/17/36/1385901736.db2.gz VQFDKFVNPNSHDW-IYWMVGAKSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001329923338 1389260672 /nfs/dbraw/zinc/26/06/72/1389260672.db2.gz KNEUFJZMUIPPKN-IBGZPJMESA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001479695838 1392325889 /nfs/dbraw/zinc/32/58/89/1392325889.db2.gz OZYMCPFEMJUTRZ-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480079813 1392569399 /nfs/dbraw/zinc/56/93/99/1392569399.db2.gz PMIYVFORRHKTNG-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079813 1392569401 /nfs/dbraw/zinc/56/94/01/1392569401.db2.gz PMIYVFORRHKTNG-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480079813 1392569403 /nfs/dbraw/zinc/56/94/03/1392569403.db2.gz PMIYVFORRHKTNG-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480253505 1392638897 /nfs/dbraw/zinc/63/88/97/1392638897.db2.gz JRKHIFBAKDBOIX-MRXNPFEDSA-N 2 1 349.544 3.218 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001491229645 1394485455 /nfs/dbraw/zinc/48/54/55/1394485455.db2.gz JEPLKWAVNMMHPQ-SFHVURJKSA-N 2 1 335.536 3.023 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481986766 1394649198 /nfs/dbraw/zinc/64/91/98/1394649198.db2.gz WBVZYQKCFVDNHR-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493832097 1396343538 /nfs/dbraw/zinc/34/35/38/1396343538.db2.gz WVCJZTFULLAFFQ-SJORKVTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001496320527 1396648916 /nfs/dbraw/zinc/64/89/16/1396648916.db2.gz NJWPRQHJYLDHNN-MOPGFXCFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690126881 1404320272 /nfs/dbraw/zinc/32/02/72/1404320272.db2.gz XOMSQAKYGFOADH-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001690823157 1404759720 /nfs/dbraw/zinc/75/97/20/1404759720.db2.gz TXQQVLXUKJUZLJ-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823157 1404759721 /nfs/dbraw/zinc/75/97/21/1404759721.db2.gz TXQQVLXUKJUZLJ-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823157 1404759725 /nfs/dbraw/zinc/75/97/25/1404759725.db2.gz TXQQVLXUKJUZLJ-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690826610 1404764129 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C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001733814579 1430095462 /nfs/dbraw/zinc/09/54/62/1430095462.db2.gz RKNNCKZUZOKEIH-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2C1 ZINC001733835719 1430107631 /nfs/dbraw/zinc/10/76/31/1430107631.db2.gz JCKGPCQKYNZXHH-UHFFFAOYSA-N 2 1 343.515 3.172 10 30 EGEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001733835719 1430107634 /nfs/dbraw/zinc/10/76/34/1430107634.db2.gz JCKGPCQKYNZXHH-UHFFFAOYSA-N 2 1 343.515 3.172 10 30 EGEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001733835719 1430107637 /nfs/dbraw/zinc/10/76/37/1430107637.db2.gz JCKGPCQKYNZXHH-UHFFFAOYSA-N 2 1 343.515 3.172 10 30 EGEEMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001733910822 1437729122 /nfs/dbraw/zinc/72/91/22/1437729122.db2.gz CHTLCPCHSXHESJ-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001734088354 1437873565 /nfs/dbraw/zinc/87/35/65/1437873565.db2.gz RMYKFYQAKCANEP-INIZCTEOSA-N 2 1 341.927 3.022 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001734105382 1437891492 /nfs/dbraw/zinc/89/14/92/1437891492.db2.gz DXBAZTKCBWXXPX-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001734105382 1437891494 /nfs/dbraw/zinc/89/14/94/1437891494.db2.gz DXBAZTKCBWXXPX-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001734105382 1437891495 /nfs/dbraw/zinc/89/14/95/1437891495.db2.gz DXBAZTKCBWXXPX-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734105426 1437891882 /nfs/dbraw/zinc/89/18/82/1437891882.db2.gz FRPOELMLFFWDRL-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151279 1437918975 /nfs/dbraw/zinc/91/89/75/1437918975.db2.gz ZOVPDOMUGGMKOU-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001734199538 1437940871 /nfs/dbraw/zinc/94/08/71/1437940871.db2.gz VBYBSXWONNJJBY-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001734270171 1437998493 /nfs/dbraw/zinc/99/84/93/1437998493.db2.gz AKXIYHBHFBGLNZ-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001734270171 1437998495 /nfs/dbraw/zinc/99/84/95/1437998495.db2.gz AKXIYHBHFBGLNZ-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001734270171 1437998511 /nfs/dbraw/zinc/99/85/11/1437998511.db2.gz AKXIYHBHFBGLNZ-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001734579212 1438171740 /nfs/dbraw/zinc/17/17/40/1438171740.db2.gz QDNGDLCGEJHOPE-GNBUJSLZSA-N 2 1 349.563 3.288 10 30 EGEEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639360 454724789 /nfs/dbraw/zinc/72/47/89/454724789.db2.gz MJANFFNIKKWQMP-XLIONFOSSA-N 2 1 328.504 3.199 10 30 EGEEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639360 454724793 /nfs/dbraw/zinc/72/47/93/454724793.db2.gz MJANFFNIKKWQMP-XLIONFOSSA-N 2 1 328.504 3.199 10 30 EGEEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639360 454724798 /nfs/dbraw/zinc/72/47/98/454724798.db2.gz MJANFFNIKKWQMP-XLIONFOSSA-N 2 1 328.504 3.199 10 30 EGEEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289527 455940972 /nfs/dbraw/zinc/94/09/72/455940972.db2.gz OEYRHVLOLAVLET-SFHVURJKSA-N 2 1 338.430 3.046 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000424291546 458605500 /nfs/dbraw/zinc/60/55/00/458605500.db2.gz DPYRRCUKBLQHAF-ITBHCLRTSA-N 2 1 340.511 3.468 10 30 EGEEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528403084 459805556 /nfs/dbraw/zinc/80/55/56/459805556.db2.gz IGEKVPPPDWXWGD-HKUYNNGSSA-N 2 1 333.520 3.018 10 30 EGEEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597022501 459819334 /nfs/dbraw/zinc/81/93/34/459819334.db2.gz UHPGQIPNZDLZOW-HXUWFJFHSA-N 2 1 341.499 3.174 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480646 461727014 /nfs/dbraw/zinc/72/70/14/461727014.db2.gz WGBBHQJPAFUGCL-ROUUACIJSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480646 461727023 /nfs/dbraw/zinc/72/70/23/461727023.db2.gz WGBBHQJPAFUGCL-ROUUACIJSA-N 2 1 330.472 3.093 10 30 EGEEMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000929504835 1328619492 /nfs/dbraw/zinc/61/94/92/1328619492.db2.gz BQHLKSIUQTWWDP-UHFFFAOYSA-N 2 1 341.499 3.049 10 30 EGEEMP C[C@@]1(C#N)CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000859358502 1328974770 /nfs/dbraw/zinc/97/47/70/1328974770.db2.gz GVNILAQFBNTWMY-HDICACEKSA-N 2 1 332.568 3.166 10 30 EGEEMP C[C@@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000859358502 1328974775 /nfs/dbraw/zinc/97/47/75/1328974775.db2.gz GVNILAQFBNTWMY-HDICACEKSA-N 2 1 332.568 3.166 10 30 EGEEMP C[C@@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000859358502 1328974779 /nfs/dbraw/zinc/97/47/79/1328974779.db2.gz GVNILAQFBNTWMY-HDICACEKSA-N 2 1 332.568 3.166 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000921809964 1322401899 /nfs/dbraw/zinc/40/18/99/1322401899.db2.gz MLUBYHZOOLHXFN-UHFFFAOYSA-N 2 1 329.488 3.154 10 30 EGEEMP C=CCC[C@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933545249 1329899053 /nfs/dbraw/zinc/89/90/53/1329899053.db2.gz DCOOKUNULOQOSW-FQEVSTJZSA-N 2 1 328.500 3.401 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075277 1331321436 /nfs/dbraw/zinc/32/14/36/1331321436.db2.gz JZQXRMOTSCWOJB-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075277 1331321438 /nfs/dbraw/zinc/32/14/38/1331321438.db2.gz JZQXRMOTSCWOJB-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075277 1331321443 /nfs/dbraw/zinc/32/14/43/1331321443.db2.gz JZQXRMOTSCWOJB-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001324740091 1387758572 /nfs/dbraw/zinc/75/85/72/1387758572.db2.gz FWZTWRSPKBTKJD-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001325920428 1388084015 /nfs/dbraw/zinc/08/40/15/1388084015.db2.gz KQTCLUDZTMIZLI-XUVXKRRUSA-N 2 1 347.547 3.281 10 30 EGEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326495654 1388220039 /nfs/dbraw/zinc/22/00/39/1388220039.db2.gz WZDZWCLTOIOTOJ-HDICACEKSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001326495654 1388220046 /nfs/dbraw/zinc/22/00/46/1388220046.db2.gz WZDZWCLTOIOTOJ-HDICACEKSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001326495654 1388220049 /nfs/dbraw/zinc/22/00/49/1388220049.db2.gz WZDZWCLTOIOTOJ-HDICACEKSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001326760829 1388302521 /nfs/dbraw/zinc/30/25/21/1388302521.db2.gz RAOHOLFAVYECNK-CTNGQTDRSA-N 2 1 347.547 3.189 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001266489171 1377319243 /nfs/dbraw/zinc/31/92/43/1377319243.db2.gz XWFSJZBVMSLWMB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266489171 1377319245 /nfs/dbraw/zinc/31/92/45/1377319245.db2.gz XWFSJZBVMSLWMB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266489171 1377319248 /nfs/dbraw/zinc/31/92/48/1377319248.db2.gz XWFSJZBVMSLWMB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266489171 1377319251 /nfs/dbraw/zinc/31/92/51/1377319251.db2.gz XWFSJZBVMSLWMB-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563731 1377458013 /nfs/dbraw/zinc/45/80/13/1377458013.db2.gz DSBVPPUIHDCSER-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267563731 1377458016 /nfs/dbraw/zinc/45/80/16/1377458016.db2.gz DSBVPPUIHDCSER-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267563731 1377458019 /nfs/dbraw/zinc/45/80/19/1377458019.db2.gz DSBVPPUIHDCSER-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563730 1377458140 /nfs/dbraw/zinc/45/81/40/1377458140.db2.gz DSBVPPUIHDCSER-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267563730 1377458148 /nfs/dbraw/zinc/45/81/48/1377458148.db2.gz DSBVPPUIHDCSER-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267563730 1377458152 /nfs/dbraw/zinc/45/81/52/1377458152.db2.gz DSBVPPUIHDCSER-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001271790728 1377652174 /nfs/dbraw/zinc/65/21/74/1377652174.db2.gz QGEFOUBEEFEOJS-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274643238 1378131297 /nfs/dbraw/zinc/13/12/97/1378131297.db2.gz IYANYNOZVWMLLI-HKUYNNGSSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001282619546 1378518974 /nfs/dbraw/zinc/51/89/74/1378518974.db2.gz WXKZKNSZKWZNQK-SFHVURJKSA-N 2 1 335.536 3.093 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284065967 1379422217 /nfs/dbraw/zinc/42/22/17/1379422217.db2.gz DNVHDMSKBINQGY-ICSRJNTNSA-N 2 1 344.503 3.051 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284065967 1379422220 /nfs/dbraw/zinc/42/22/20/1379422220.db2.gz DNVHDMSKBINQGY-ICSRJNTNSA-N 2 1 344.503 3.051 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284067821 1379425630 /nfs/dbraw/zinc/42/56/30/1379425630.db2.gz CGMHLWJWNYAXEI-NLWGTHIKSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001284067821 1379425631 /nfs/dbraw/zinc/42/56/31/1379425631.db2.gz CGMHLWJWNYAXEI-NLWGTHIKSA-N 2 1 335.536 3.022 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001284067821 1379425634 /nfs/dbraw/zinc/42/56/34/1379425634.db2.gz CGMHLWJWNYAXEI-NLWGTHIKSA-N 2 1 335.536 3.022 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284599628 1380000169 /nfs/dbraw/zinc/00/01/69/1380000169.db2.gz VYNRABKDXFAUSB-RBUKOAKNSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099732 1388671465 /nfs/dbraw/zinc/67/14/65/1388671465.db2.gz XVMOJRFMFYGYRR-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001316670536 1384514076 /nfs/dbraw/zinc/51/40/76/1384514076.db2.gz PGBZUUAGWDADTI-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316812558 1384611955 /nfs/dbraw/zinc/61/19/55/1384611955.db2.gz YKEGMBKLHCPXRG-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317002909 1384761313 /nfs/dbraw/zinc/76/13/13/1384761313.db2.gz QUJDJWWTVQAGMI-LJQANCHMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317036515 1384807671 /nfs/dbraw/zinc/80/76/71/1384807671.db2.gz GBSGRYHNEXVEHR-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317039785 1384812638 /nfs/dbraw/zinc/81/26/38/1384812638.db2.gz UWPCIGYMFYXKFC-IBGZPJMESA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001317177146 1384949819 /nfs/dbraw/zinc/94/98/19/1384949819.db2.gz SBSSJPLLHSJKJB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317177146 1384949821 /nfs/dbraw/zinc/94/98/21/1384949821.db2.gz SBSSJPLLHSJKJB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317177146 1384949823 /nfs/dbraw/zinc/94/98/23/1384949823.db2.gz SBSSJPLLHSJKJB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317177146 1384949824 /nfs/dbraw/zinc/94/98/24/1384949824.db2.gz SBSSJPLLHSJKJB-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001318742191 1385849459 /nfs/dbraw/zinc/84/94/59/1385849459.db2.gz AMRJDYWGMLKJTD-XLIONFOSSA-N 2 1 337.552 3.195 10 30 EGEEMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001698683336 1406330736 /nfs/dbraw/zinc/33/07/36/1406330736.db2.gz OCNXTRJSOUKNBL-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001329937070 1389265978 /nfs/dbraw/zinc/26/59/78/1389265978.db2.gz KQQDPDDPASMOOR-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001329937070 1389265984 /nfs/dbraw/zinc/26/59/84/1389265984.db2.gz KQQDPDDPASMOOR-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001329937070 1389265986 /nfs/dbraw/zinc/26/59/86/1389265986.db2.gz 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ZTSQHOFSOJWWDT-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713395012 1418010507 /nfs/dbraw/zinc/01/05/07/1418010507.db2.gz ZTSQHOFSOJWWDT-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713395012 1418010511 /nfs/dbraw/zinc/01/05/11/1418010511.db2.gz ZTSQHOFSOJWWDT-RTBURBONSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713433997 1418063040 /nfs/dbraw/zinc/06/30/40/1418063040.db2.gz AKKZPBIHVYJEBF-QGZVFWFLSA-N 2 1 340.471 3.193 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713728992 1418512529 /nfs/dbraw/zinc/51/25/29/1418512529.db2.gz SBRKZTQRMGUQSW-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713767344 1418582117 /nfs/dbraw/zinc/58/21/17/1418582117.db2.gz QLKILNSZWUXGLI-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713891364 1418687820 /nfs/dbraw/zinc/68/78/20/1418687820.db2.gz HUFBNWHWIWELKH-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713891364 1418687824 /nfs/dbraw/zinc/68/78/24/1418687824.db2.gz HUFBNWHWIWELKH-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713891364 1418687827 /nfs/dbraw/zinc/68/78/27/1418687827.db2.gz HUFBNWHWIWELKH-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001713910995 1418707440 /nfs/dbraw/zinc/70/74/40/1418707440.db2.gz XDFDMURQXJDUHV-OKYOBFRVSA-N 2 1 335.536 3.137 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714036284 1418825480 /nfs/dbraw/zinc/82/54/80/1418825480.db2.gz RPSGNFPVABCIOW-QZTJIDSGSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714036284 1418825481 /nfs/dbraw/zinc/82/54/81/1418825481.db2.gz RPSGNFPVABCIOW-QZTJIDSGSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001714081703 1418875624 /nfs/dbraw/zinc/87/56/24/1418875624.db2.gz WUZXRUQTVOCSLW-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001715183621 1419916928 /nfs/dbraw/zinc/91/69/28/1419916928.db2.gz QIZJOELBDXMXMS-QWFCFKBJSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001715484669 1420164793 /nfs/dbraw/zinc/16/47/93/1420164793.db2.gz KKLXFRDULXNOAK-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715484669 1420164796 /nfs/dbraw/zinc/16/47/96/1420164796.db2.gz KKLXFRDULXNOAK-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001715484669 1420164798 /nfs/dbraw/zinc/16/47/98/1420164798.db2.gz KKLXFRDULXNOAK-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001715933053 1420405195 /nfs/dbraw/zinc/40/51/95/1420405195.db2.gz LTMBFHAWOVLIOT-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715933053 1420405197 /nfs/dbraw/zinc/40/51/97/1420405197.db2.gz LTMBFHAWOVLIOT-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715933053 1420405199 /nfs/dbraw/zinc/40/51/99/1420405199.db2.gz LTMBFHAWOVLIOT-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716513500 1420743690 /nfs/dbraw/zinc/74/36/90/1420743690.db2.gz CQFKTVDJLHRZLC-FUHWJXTLSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001716796714 1420929484 /nfs/dbraw/zinc/92/94/84/1420929484.db2.gz HJUAUSFJKHBYDC-QGZVFWFLSA-N 2 1 337.552 3.290 10 30 EGEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001717112380 1421115855 /nfs/dbraw/zinc/11/58/55/1421115855.db2.gz FGCDZDODYAWIOW-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001717112380 1421115857 /nfs/dbraw/zinc/11/58/57/1421115857.db2.gz FGCDZDODYAWIOW-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001717112380 1421115859 /nfs/dbraw/zinc/11/58/59/1421115859.db2.gz FGCDZDODYAWIOW-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001717117770 1421122409 /nfs/dbraw/zinc/12/24/09/1421122409.db2.gz CFUCMWCAOWDNGD-UTKZUKDTSA-N 2 1 341.499 3.015 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001717128022 1421129359 /nfs/dbraw/zinc/12/93/59/1421129359.db2.gz LQTHDADXLPTJFI-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001717215948 1421193836 /nfs/dbraw/zinc/19/38/36/1421193836.db2.gz BFAVTZIWHOPEJL-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215948 1421193838 /nfs/dbraw/zinc/19/38/38/1421193838.db2.gz BFAVTZIWHOPEJL-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215948 1421193839 /nfs/dbraw/zinc/19/38/39/1421193839.db2.gz BFAVTZIWHOPEJL-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269297 1421224891 /nfs/dbraw/zinc/22/48/91/1421224891.db2.gz INJWNPLJRRCEEQ-JXFKEZNVSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001717269297 1421224893 /nfs/dbraw/zinc/22/48/93/1421224893.db2.gz INJWNPLJRRCEEQ-JXFKEZNVSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001717269297 1421224895 /nfs/dbraw/zinc/22/48/95/1421224895.db2.gz INJWNPLJRRCEEQ-JXFKEZNVSA-N 2 1 341.499 3.067 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717365983 1421300701 /nfs/dbraw/zinc/30/07/01/1421300701.db2.gz SWTCRTJFLLGRJP-GUDVDZBRSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717365983 1421300703 /nfs/dbraw/zinc/30/07/03/1421300703.db2.gz SWTCRTJFLLGRJP-GUDVDZBRSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717365983 1421300705 /nfs/dbraw/zinc/30/07/05/1421300705.db2.gz SWTCRTJFLLGRJP-GUDVDZBRSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001717841480 1421656812 /nfs/dbraw/zinc/65/68/12/1421656812.db2.gz RXDLBKCKOVTXDL-UYAOXDASSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001717841480 1421656814 /nfs/dbraw/zinc/65/68/14/1421656814.db2.gz RXDLBKCKOVTXDL-UYAOXDASSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001718024765 1421778488 /nfs/dbraw/zinc/77/84/88/1421778488.db2.gz YKDBOGKSHJSJJC-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001718024765 1421778490 /nfs/dbraw/zinc/77/84/90/1421778490.db2.gz YKDBOGKSHJSJJC-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001718024765 1421778492 /nfs/dbraw/zinc/77/84/92/1421778492.db2.gz YKDBOGKSHJSJJC-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419367 1429625753 /nfs/dbraw/zinc/62/57/53/1429625753.db2.gz VQOIPQHITGOCPG-LAUBAEHRSA-N 2 1 343.515 3.297 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001723799166 1424569680 /nfs/dbraw/zinc/56/96/80/1424569680.db2.gz DMUNNHWYQKXJSB-IBGZPJMESA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001723799166 1424569686 /nfs/dbraw/zinc/56/96/86/1424569686.db2.gz DMUNNHWYQKXJSB-IBGZPJMESA-N 2 1 337.552 3.362 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733538559 1429744555 /nfs/dbraw/zinc/74/45/55/1429744555.db2.gz UWPXDEWFNMQKNV-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724164527 1424700770 /nfs/dbraw/zinc/70/07/70/1424700770.db2.gz GEYCRXUARUWNLA-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001724600242 1424930744 /nfs/dbraw/zinc/93/07/44/1424930744.db2.gz NRUYXNSAJQUSDO-IYWMVGAKSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001724707265 1425063809 /nfs/dbraw/zinc/06/38/09/1425063809.db2.gz JMMMRLLVBWHOCO-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725025260 1425443277 /nfs/dbraw/zinc/44/32/77/1425443277.db2.gz CYNAJFVADBQCRN-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725025261 1425443560 /nfs/dbraw/zinc/44/35/60/1425443560.db2.gz CYNAJFVADBQCRN-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001725066387 1425508062 /nfs/dbraw/zinc/50/80/62/1425508062.db2.gz WCJCBILQUKMYRN-XBMUEBEBSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001725645274 1426327448 /nfs/dbraw/zinc/32/74/48/1426327448.db2.gz ZNVBWLRKTPCWDC-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001725645274 1426327453 /nfs/dbraw/zinc/32/74/53/1426327453.db2.gz ZNVBWLRKTPCWDC-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001731353233 1427293298 /nfs/dbraw/zinc/29/32/98/1427293298.db2.gz BFXRHYMZEPNAOG-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731353233 1427293301 /nfs/dbraw/zinc/29/33/01/1427293301.db2.gz BFXRHYMZEPNAOG-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001731353233 1427293304 /nfs/dbraw/zinc/29/33/04/1427293304.db2.gz BFXRHYMZEPNAOG-RBUKOAKNSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553900 1427577211 /nfs/dbraw/zinc/57/72/11/1427577211.db2.gz ZPLAZKQDBOUTKF-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001731574540 1427617763 /nfs/dbraw/zinc/61/77/63/1427617763.db2.gz YVEPAVDFPKUWRX-AFMYVXGZSA-N 2 1 347.547 3.377 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733659983 1429852659 /nfs/dbraw/zinc/85/26/59/1429852659.db2.gz SYIVXNDSPSHZLN-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001733804491 1430073719 /nfs/dbraw/zinc/07/37/19/1430073719.db2.gz CNVFJAKPTPZGAG-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001734092721 1437877194 /nfs/dbraw/zinc/87/71/94/1437877194.db2.gz RQRWJMFJFFDYOZ-HDICACEKSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001734152951 1437920364 /nfs/dbraw/zinc/92/03/64/1437920364.db2.gz MXYHQGRQESCTSY-LJQANCHMSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001734155833 1437922409 /nfs/dbraw/zinc/92/24/09/1437922409.db2.gz QGMYDRHDNKYLCS-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192459 1437933695 /nfs/dbraw/zinc/93/36/95/1437933695.db2.gz FIEOGXREJDHHQT-IPMKNSEASA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192459 1437933697 /nfs/dbraw/zinc/93/36/97/1437933697.db2.gz FIEOGXREJDHHQT-IPMKNSEASA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192459 1437933698 /nfs/dbraw/zinc/93/36/98/1437933698.db2.gz FIEOGXREJDHHQT-IPMKNSEASA-N 2 1 349.563 3.147 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001734274621 1438009120 /nfs/dbraw/zinc/00/91/20/1438009120.db2.gz PJXAJEFQQHHOQE-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001734274621 1438009122 /nfs/dbraw/zinc/00/91/22/1438009122.db2.gz PJXAJEFQQHHOQE-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001734274621 1438009124 /nfs/dbraw/zinc/00/91/24/1438009124.db2.gz PJXAJEFQQHHOQE-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335836 317040981 /nfs/dbraw/zinc/04/09/81/317040981.db2.gz NHBCHQMFAUNDMQ-UHFFFAOYSA-N 2 1 341.415 3.138 10 30 EGEEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718368 460577584 /nfs/dbraw/zinc/57/75/84/460577584.db2.gz WXXNPROLOCZVCQ-PXNSSMCTSA-N 2 1 341.499 3.205 10 30 EGEEMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756707 455374246 /nfs/dbraw/zinc/37/42/46/455374246.db2.gz OTQAYSUJKBYDCJ-YJBOKZPZSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756707 455374251 /nfs/dbraw/zinc/37/42/51/455374251.db2.gz OTQAYSUJKBYDCJ-YJBOKZPZSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756707 455374254 /nfs/dbraw/zinc/37/42/54/455374254.db2.gz OTQAYSUJKBYDCJ-YJBOKZPZSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCCC[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000091559877 454446210 /nfs/dbraw/zinc/44/62/10/454446210.db2.gz ZCDSVJSBBCCGJA-FQEVSTJZSA-N 2 1 329.532 3.481 10 30 EGEEMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093639212 454725012 /nfs/dbraw/zinc/72/50/12/454725012.db2.gz YOJMRSUSTLMMKD-AEFFLSMTSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639212 454725018 /nfs/dbraw/zinc/72/50/18/454725018.db2.gz YOJMRSUSTLMMKD-AEFFLSMTSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639212 454725024 /nfs/dbraw/zinc/72/50/24/454725024.db2.gz YOJMRSUSTLMMKD-AEFFLSMTSA-N 2 1 332.488 3.422 10 30 EGEEMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895506 459479480 /nfs/dbraw/zinc/47/94/80/459479480.db2.gz OGZIULRVCYABTP-HUUCEWRRSA-N 2 1 337.389 3.399 10 30 EGEEMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895504 459479681 /nfs/dbraw/zinc/47/96/81/459479681.db2.gz OGZIULRVCYABTP-CABCVRRESA-N 2 1 337.389 3.399 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528403093 459805495 /nfs/dbraw/zinc/80/54/95/459805495.db2.gz IGEKVPPPDWXWGD-MJGOQNOKSA-N 2 1 333.520 3.018 10 30 EGEEMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1(C)C ZINC000598978996 460114547 /nfs/dbraw/zinc/11/45/47/460114547.db2.gz YOVUZQJTRXVSEM-LXPRWKDFSA-N 2 1 342.487 3.106 10 30 EGEEMP C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)nn1 ZINC000653606913 461755833 /nfs/dbraw/zinc/75/58/33/461755833.db2.gz KWNOSWSEQPHESD-HNNXBMFYSA-N 2 1 336.443 3.199 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000876728549 1298942561 /nfs/dbraw/zinc/94/25/61/1298942561.db2.gz PFRYDQYQZXJYQJ-MRXNPFEDSA-N 2 1 346.862 3.463 10 30 EGEEMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1Cc2ccccc2O1 ZINC000883171664 1302283458 /nfs/dbraw/zinc/28/34/58/1302283458.db2.gz FDALPAONBOWTTQ-LRQRDZAKSA-N 2 1 326.484 3.399 10 30 EGEEMP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CCCO1 ZINC000883174526 1302285932 /nfs/dbraw/zinc/28/59/32/1302285932.db2.gz MMSFWYZFUHTMGN-QZTJIDSGSA-N 2 1 326.444 3.179 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428095 1322750568 /nfs/dbraw/zinc/75/05/68/1322750568.db2.gz WEJIGJHZDSLZDD-DZFGPLHGSA-N 2 1 341.499 3.211 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971826 1331281539 /nfs/dbraw/zinc/28/15/39/1331281539.db2.gz DDMSNUFJLKXMOA-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971826 1331281541 /nfs/dbraw/zinc/28/15/41/1331281541.db2.gz DDMSNUFJLKXMOA-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971826 1331281543 /nfs/dbraw/zinc/28/15/43/1331281543.db2.gz DDMSNUFJLKXMOA-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092263 1331329818 /nfs/dbraw/zinc/32/98/18/1331329818.db2.gz CKXSUSFNAHXDTK-IBGZPJMESA-N 2 1 343.515 3.155 10 30 EGEEMP CCCCCCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001324339779 1387598510 /nfs/dbraw/zinc/59/85/10/1387598510.db2.gz NFADQOSBMJPDSL-SFHVURJKSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001324775052 1387768492 /nfs/dbraw/zinc/76/84/92/1387768492.db2.gz GXKJOVXNZNRXPU-PZJWPPBQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001327299930 1388490818 /nfs/dbraw/zinc/49/08/18/1388490818.db2.gz QYSHLYKKAUWJCA-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299930 1388490820 /nfs/dbraw/zinc/49/08/20/1388490820.db2.gz QYSHLYKKAUWJCA-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299930 1388490821 /nfs/dbraw/zinc/49/08/21/1388490821.db2.gz QYSHLYKKAUWJCA-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C[NH+](C)C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001136283688 1377372126 /nfs/dbraw/zinc/37/21/26/1377372126.db2.gz JQNLAQOJGFGHEH-UHFFFAOYSA-N 2 1 326.444 3.111 10 30 EGEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001271557566 1377638595 /nfs/dbraw/zinc/63/85/95/1377638595.db2.gz BRBIZXJELBJDHA-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001274035240 1378114719 /nfs/dbraw/zinc/11/47/19/1378114719.db2.gz HFKANYPGORUNCE-QGZVFWFLSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001274035240 1378114724 /nfs/dbraw/zinc/11/47/24/1378114724.db2.gz HFKANYPGORUNCE-QGZVFWFLSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001284700522 1380115680 /nfs/dbraw/zinc/11/56/80/1380115680.db2.gz XGDJVHPWDGVVJX-WBVHZDCISA-N 2 1 343.943 3.076 10 30 EGEEMP C=C(C[NH+](C)C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001303352271 1383795638 /nfs/dbraw/zinc/79/56/38/1383795638.db2.gz HQCAQPUROXKAAE-UHFFFAOYSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001316812285 1384611543 /nfs/dbraw/zinc/61/15/43/1384611543.db2.gz ZLGWZFWJQHHBLG-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812285 1384611547 /nfs/dbraw/zinc/61/15/47/1384611547.db2.gz ZLGWZFWJQHHBLG-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812285 1384611549 /nfs/dbraw/zinc/61/15/49/1384611549.db2.gz ZLGWZFWJQHHBLG-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001317085048 1384847801 /nfs/dbraw/zinc/84/78/01/1384847801.db2.gz DMOKYPVQOSDBTQ-MKXGPGLRSA-N 2 1 335.536 3.211 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106027 1384869986 /nfs/dbraw/zinc/86/99/86/1384869986.db2.gz QCOVSRDAIDPKJK-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139684 1384906362 /nfs/dbraw/zinc/90/63/62/1384906362.db2.gz KKVKFBXEXJHGCA-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317139684 1384906364 /nfs/dbraw/zinc/90/63/64/1384906364.db2.gz KKVKFBXEXJHGCA-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317139684 1384906367 /nfs/dbraw/zinc/90/63/67/1384906367.db2.gz KKVKFBXEXJHGCA-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317328013 1385083968 /nfs/dbraw/zinc/08/39/68/1385083968.db2.gz ZCWKRGSNTDYLLX-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791143 1385483987 /nfs/dbraw/zinc/48/39/87/1385483987.db2.gz ZRPDWMDAKRQXFZ-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317791143 1385483988 /nfs/dbraw/zinc/48/39/88/1385483988.db2.gz ZRPDWMDAKRQXFZ-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317791143 1385483989 /nfs/dbraw/zinc/48/39/89/1385483989.db2.gz ZRPDWMDAKRQXFZ-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001318742193 1385849183 /nfs/dbraw/zinc/84/91/83/1385849183.db2.gz AMRJDYWGMLKJTD-YLJYHZDGSA-N 2 1 337.552 3.195 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001698693323 1406337599 /nfs/dbraw/zinc/33/75/99/1406337599.db2.gz BVJZNOYPQIHMSX-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001698693321 1406337793 /nfs/dbraw/zinc/33/77/93/1406337793.db2.gz BVJZNOYPQIHMSX-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001329241166 1389031738 /nfs/dbraw/zinc/03/17/38/1389031738.db2.gz UMHCECRCJSJMIQ-CTWPCTMYSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001329733758 1389212523 /nfs/dbraw/zinc/21/25/23/1389212523.db2.gz JGSOGQOEODVHGZ-IAGOWNOFSA-N 2 1 343.943 3.074 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332217171 1390048927 /nfs/dbraw/zinc/04/89/27/1390048927.db2.gz GTJMKFIHXJSZNN-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126092 1393126666 /nfs/dbraw/zinc/12/66/66/1393126666.db2.gz HTYKWQZOPVCKHT-IEBWSBKVSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001481903586 1394588038 /nfs/dbraw/zinc/58/80/38/1394588038.db2.gz AYBOUAREZIBANU-SFHVURJKSA-N 2 1 335.536 3.093 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579873 1396052690 /nfs/dbraw/zinc/05/26/90/1396052690.db2.gz WLXRGEAOXWYTND-HKUYNNGSSA-N 2 1 349.563 3.288 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001690040081 1404275787 /nfs/dbraw/zinc/27/57/87/1404275787.db2.gz GRCJYYPLEGRLQR-RDJZCZTQSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001690040081 1404275790 /nfs/dbraw/zinc/27/57/90/1404275790.db2.gz GRCJYYPLEGRLQR-RDJZCZTQSA-N 2 1 349.544 3.359 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001690136549 1404335066 /nfs/dbraw/zinc/33/50/66/1404335066.db2.gz OVXUTGUISGYSRB-UHFFFAOYSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001690484278 1404601034 /nfs/dbraw/zinc/60/10/34/1404601034.db2.gz MSJMVDUTEDRLDJ-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691632651 1405369852 /nfs/dbraw/zinc/36/98/52/1405369852.db2.gz NHDPQDPYCARYEK-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001691765275 1405478814 /nfs/dbraw/zinc/47/88/14/1405478814.db2.gz NKGVSACHQSZELC-QYZOEREBSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691814253 1405528731 /nfs/dbraw/zinc/52/87/31/1405528731.db2.gz URGDLWHWFOCEKV-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691814253 1405528735 /nfs/dbraw/zinc/52/87/35/1405528735.db2.gz URGDLWHWFOCEKV-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691814253 1405528736 /nfs/dbraw/zinc/52/87/36/1405528736.db2.gz URGDLWHWFOCEKV-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001691920264 1405649634 /nfs/dbraw/zinc/64/96/34/1405649634.db2.gz USYLCMQMPBNUDO-YZGWKJHDSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001692074174 1405761016 /nfs/dbraw/zinc/76/10/16/1405761016.db2.gz DXYLAUYRJBMDOD-LMMKCTJWSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158202 1428401891 /nfs/dbraw/zinc/40/18/91/1428401891.db2.gz BEBFAQSOUJAYKT-QZTJIDSGSA-N 2 1 335.536 3.138 10 30 EGEEMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001732405252 1428568673 /nfs/dbraw/zinc/56/86/73/1428568673.db2.gz JYAYBMUGXYUHRK-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699507476 1412895379 /nfs/dbraw/zinc/89/53/79/1412895379.db2.gz SMMYZXMNAYMGNX-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001699769966 1413175307 /nfs/dbraw/zinc/17/53/07/1413175307.db2.gz CFZZKIMZRYDQPF-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699769573 1413175343 /nfs/dbraw/zinc/17/53/43/1413175343.db2.gz XKUFFYMKESCQCR-MSOLQXFVSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700090983 1413502734 /nfs/dbraw/zinc/50/27/34/1413502734.db2.gz JDMNLICCJMRDDV-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700090983 1413502738 /nfs/dbraw/zinc/50/27/38/1413502738.db2.gz JDMNLICCJMRDDV-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700090983 1413502742 /nfs/dbraw/zinc/50/27/42/1413502742.db2.gz JDMNLICCJMRDDV-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001700093877 1413508064 /nfs/dbraw/zinc/50/80/64/1413508064.db2.gz CTQCYYDJJSLZDB-LPHOPBHVSA-N 2 1 329.488 3.014 10 30 EGEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001700094399 1413508666 /nfs/dbraw/zinc/50/86/66/1413508666.db2.gz JMSKYHTZYZTWLN-YLJYHZDGSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183446 1413599352 /nfs/dbraw/zinc/59/93/52/1413599352.db2.gz DUNAOIJOIILIAA-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001700223062 1413671970 /nfs/dbraw/zinc/67/19/70/1413671970.db2.gz RKDSVUUQKMXZML-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700340176 1413818386 /nfs/dbraw/zinc/81/83/86/1413818386.db2.gz LVBMQLWTXUUPPT-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700340176 1413818390 /nfs/dbraw/zinc/81/83/90/1413818390.db2.gz LVBMQLWTXUUPPT-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700340176 1413818397 /nfs/dbraw/zinc/81/83/97/1413818397.db2.gz LVBMQLWTXUUPPT-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001700341018 1413820995 /nfs/dbraw/zinc/82/09/95/1413820995.db2.gz HIBGXMGZHSQBEJ-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700341018 1413821001 /nfs/dbraw/zinc/82/10/01/1413821001.db2.gz HIBGXMGZHSQBEJ-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001700341018 1413821004 /nfs/dbraw/zinc/82/10/04/1413821004.db2.gz HIBGXMGZHSQBEJ-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001700352975 1413849499 /nfs/dbraw/zinc/84/94/99/1413849499.db2.gz JIXFDZIVGDUUHP-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001700352975 1413849503 /nfs/dbraw/zinc/84/95/03/1413849503.db2.gz JIXFDZIVGDUUHP-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700696673 1414354028 /nfs/dbraw/zinc/35/40/28/1414354028.db2.gz MARMVALOBSKTEE-KRWDZBQOSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001700696673 1414354033 /nfs/dbraw/zinc/35/40/33/1414354033.db2.gz MARMVALOBSKTEE-KRWDZBQOSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001700696673 1414354038 /nfs/dbraw/zinc/35/40/38/1414354038.db2.gz MARMVALOBSKTEE-KRWDZBQOSA-N 2 1 337.552 3.242 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001707234483 1417255591 /nfs/dbraw/zinc/25/55/91/1417255591.db2.gz MLKOYSXRRSWAJB-FHWLQOOXSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001707237041 1417257609 /nfs/dbraw/zinc/25/76/09/1417257609.db2.gz HTRYUFDZAUDDQU-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001713117254 1417682110 /nfs/dbraw/zinc/68/21/10/1417682110.db2.gz ROWXBPVJSSXAID-WOJBJXKFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136242 1417716845 /nfs/dbraw/zinc/71/68/45/1417716845.db2.gz BEAKJGDFYLUXNJ-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713136242 1417716846 /nfs/dbraw/zinc/71/68/46/1417716846.db2.gz BEAKJGDFYLUXNJ-AZUAARDMSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001713292577 1417919863 /nfs/dbraw/zinc/91/98/63/1417919863.db2.gz GHODZDMRUIGLLG-SOAGJPPSSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713392389 1418004727 /nfs/dbraw/zinc/00/47/27/1418004727.db2.gz FCVHDRKTJOWHFP-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713442357 1418078240 /nfs/dbraw/zinc/07/82/40/1418078240.db2.gz NGAGGCRTKWFQLX-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001713678263 1418430343 /nfs/dbraw/zinc/43/03/43/1418430343.db2.gz WPFBKLHZRUMLCW-YLJYHZDGSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713693012 1418447465 /nfs/dbraw/zinc/44/74/65/1418447465.db2.gz VPSSUUBXPWIASV-QGZVFWFLSA-N 2 1 343.943 3.219 10 30 EGEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001713693012 1418447468 /nfs/dbraw/zinc/44/74/68/1418447468.db2.gz VPSSUUBXPWIASV-QGZVFWFLSA-N 2 1 343.943 3.219 10 30 EGEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001713693012 1418447471 /nfs/dbraw/zinc/44/74/71/1418447471.db2.gz VPSSUUBXPWIASV-QGZVFWFLSA-N 2 1 343.943 3.219 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713911743 1418707803 /nfs/dbraw/zinc/70/78/03/1418707803.db2.gz JWIVLGWESIPZRA-BGYRXZFFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001714043889 1418835088 /nfs/dbraw/zinc/83/50/88/1418835088.db2.gz DJPSOKHMEODMMD-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043889 1418835090 /nfs/dbraw/zinc/83/50/90/1418835090.db2.gz DJPSOKHMEODMMD-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001714043889 1418835093 /nfs/dbraw/zinc/83/50/93/1418835093.db2.gz DJPSOKHMEODMMD-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153478 1418961300 /nfs/dbraw/zinc/96/13/00/1418961300.db2.gz IAILLMIFXUKORZ-UYAOXDASSA-N 2 1 349.563 3.291 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001714301604 1419081791 /nfs/dbraw/zinc/08/17/91/1419081791.db2.gz AYWWAZPAPFQERI-GUDVDZBRSA-N 2 1 337.552 3.458 10 30 EGEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001714316866 1419095143 /nfs/dbraw/zinc/09/51/43/1419095143.db2.gz GHODZDMRUIGLLG-VAMGGRTRSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001714812954 1419523733 /nfs/dbraw/zinc/52/37/33/1419523733.db2.gz XWVMNFUTVNSJMX-INIZCTEOSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001715316436 1420025227 /nfs/dbraw/zinc/02/52/27/1420025227.db2.gz RRZUYLVYQMYLCN-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715403564 1420102039 /nfs/dbraw/zinc/10/20/39/1420102039.db2.gz ROGULYLZNWKZFT-QZTJIDSGSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001715484655 1420164586 /nfs/dbraw/zinc/16/45/86/1420164586.db2.gz KKLXFRDULXNOAK-AZUAARDMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001715484655 1420164588 /nfs/dbraw/zinc/16/45/88/1420164588.db2.gz KKLXFRDULXNOAK-AZUAARDMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001715484655 1420164590 /nfs/dbraw/zinc/16/45/90/1420164590.db2.gz KKLXFRDULXNOAK-AZUAARDMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278505 1429446898 /nfs/dbraw/zinc/44/68/98/1429446898.db2.gz RHPDCAICKSMDSX-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCCCCC1 ZINC001733278505 1429446901 /nfs/dbraw/zinc/44/69/01/1429446901.db2.gz RHPDCAICKSMDSX-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCCCCC1 ZINC001733278505 1429446904 /nfs/dbraw/zinc/44/69/04/1429446904.db2.gz RHPDCAICKSMDSX-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001716797419 1420930255 /nfs/dbraw/zinc/93/02/55/1420930255.db2.gz VOOXEPRGTTYGTE-SQNIBIBYSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001717037402 1421091276 /nfs/dbraw/zinc/09/12/76/1421091276.db2.gz KYTATCDIOBFUNL-GBESFXJTSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589103 1421518112 /nfs/dbraw/zinc/51/81/12/1421518112.db2.gz LXSBNEXXHSVVCT-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717980514 1421751799 /nfs/dbraw/zinc/75/17/99/1421751799.db2.gz AJMMBQROSAOJBW-XLIONFOSSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001733449107 1429660070 /nfs/dbraw/zinc/66/00/70/1429660070.db2.gz XHHZQEHPYBFPBG-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724325077 1424813543 /nfs/dbraw/zinc/81/35/43/1424813543.db2.gz UZOFVPGWMJPIHL-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325077 1424813545 /nfs/dbraw/zinc/81/35/45/1424813545.db2.gz UZOFVPGWMJPIHL-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325077 1424813550 /nfs/dbraw/zinc/81/35/50/1424813550.db2.gz UZOFVPGWMJPIHL-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330363 1424823470 /nfs/dbraw/zinc/82/34/70/1424823470.db2.gz NXBDDFAWQIEMSK-RXVVDRJESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343806 1424843401 /nfs/dbraw/zinc/84/34/01/1424843401.db2.gz OXHZGGWBIRTZFM-NRFANRHFSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001724657686 1425024860 /nfs/dbraw/zinc/02/48/60/1425024860.db2.gz FIOVTDCLPKOKGW-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001724748821 1425118608 /nfs/dbraw/zinc/11/86/08/1425118608.db2.gz KFMNTCZQMRJWCE-YLJYHZDGSA-N 2 1 343.515 3.404 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998349 1425406081 /nfs/dbraw/zinc/40/60/81/1425406081.db2.gz ASSOFKVNZLFAOV-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998349 1425406083 /nfs/dbraw/zinc/40/60/83/1425406083.db2.gz ASSOFKVNZLFAOV-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470527 1427450297 /nfs/dbraw/zinc/45/02/97/1427450297.db2.gz JLZNTWXMELJHHB-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731503318 1427485929 /nfs/dbraw/zinc/48/59/29/1427485929.db2.gz LKCSUCMRBJMVRG-AZUAARDMSA-N 2 1 349.563 3.127 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731564196 1427601865 /nfs/dbraw/zinc/60/18/65/1427601865.db2.gz KNGVBWFGAMUIRX-OBKDMQGPSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731564196 1427601867 /nfs/dbraw/zinc/60/18/67/1427601867.db2.gz KNGVBWFGAMUIRX-OBKDMQGPSA-N 2 1 347.547 3.020 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001731564196 1427601871 /nfs/dbraw/zinc/60/18/71/1427601871.db2.gz KNGVBWFGAMUIRX-OBKDMQGPSA-N 2 1 347.547 3.020 10 30 EGEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001733956151 1437764259 /nfs/dbraw/zinc/76/42/59/1437764259.db2.gz VTIWDSCAHAJLTK-QLOJAFMTSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001734012375 1437803626 /nfs/dbraw/zinc/80/36/26/1437803626.db2.gz WXGVLVYEPMNASR-HDYDNRTBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734194998 1437936104 /nfs/dbraw/zinc/93/61/04/1437936104.db2.gz VAISCRJYCIMQRB-UFYCRDLUSA-N 2 1 347.547 3.045 10 30 EGEEMP CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348961539 156300224 /nfs/dbraw/zinc/30/02/24/156300224.db2.gz FSLQSBSCUFTXIT-UHFFFAOYSA-N 2 1 347.466 3.290 10 30 EGEEMP C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144847 455238325 /nfs/dbraw/zinc/23/83/25/455238325.db2.gz GIAYVSJEHBXDFV-MRXNPFEDSA-N 2 1 338.455 3.032 10 30 EGEEMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093639213 454724904 /nfs/dbraw/zinc/72/49/04/454724904.db2.gz YOJMRSUSTLMMKD-SJLPKXTDSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639213 454724909 /nfs/dbraw/zinc/72/49/09/454724909.db2.gz YOJMRSUSTLMMKD-SJLPKXTDSA-N 2 1 332.488 3.422 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639213 454724914 /nfs/dbraw/zinc/72/49/14/454724914.db2.gz YOJMRSUSTLMMKD-SJLPKXTDSA-N 2 1 332.488 3.422 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000581424145 459272796 /nfs/dbraw/zinc/27/27/96/459272796.db2.gz ANMXPXVCBRIXLQ-LJQANCHMSA-N 2 1 346.515 3.180 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481069 461731295 /nfs/dbraw/zinc/73/12/95/461731295.db2.gz ZXFHHHJMGOKRJA-ROUUACIJSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481069 461731302 /nfs/dbraw/zinc/73/13/02/461731302.db2.gz ZXFHHHJMGOKRJA-ROUUACIJSA-N 2 1 330.472 3.224 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000876720047 1298938424 /nfs/dbraw/zinc/93/84/24/1298938424.db2.gz ZQRALMYVAOILCC-KDOFPFPSSA-N 2 1 349.906 3.005 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000876720050 1298939753 /nfs/dbraw/zinc/93/97/53/1298939753.db2.gz ZQRALMYVAOILCC-RDTXWAMCSA-N 2 1 349.906 3.005 10 30 EGEEMP C=CCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000883167259 1302281311 /nfs/dbraw/zinc/28/13/11/1302281311.db2.gz UDLZMDSBIXTSHK-SFTDATJTSA-N 2 1 344.499 3.122 10 30 EGEEMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925619096 1325233607 /nfs/dbraw/zinc/23/36/07/1325233607.db2.gz KWFHQAZGMHEMGD-OQIJWPOYSA-N 2 1 327.472 3.234 10 30 EGEEMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866249089 1330085033 /nfs/dbraw/zinc/08/50/33/1330085033.db2.gz YOBIZJNBJGBOGR-OAHLLOKOSA-N 2 1 339.439 3.055 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941094037 1331330138 /nfs/dbraw/zinc/33/01/38/1331330138.db2.gz WHLRGOUXZYJMKK-IBGZPJMESA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001324517368 1387658542 /nfs/dbraw/zinc/65/85/42/1387658542.db2.gz GRHCBSLXKATXSM-VQTJNVASSA-N 2 1 343.515 3.130 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001202602777 1369819854 /nfs/dbraw/zinc/81/98/54/1369819854.db2.gz ODTIKWDMYTWIRM-UHFFFAOYSA-N 2 1 347.506 3.294 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001202602777 1369819857 /nfs/dbraw/zinc/81/98/57/1369819857.db2.gz ODTIKWDMYTWIRM-UHFFFAOYSA-N 2 1 347.506 3.294 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143682 1388402367 /nfs/dbraw/zinc/40/23/67/1388402367.db2.gz VMGYEZIBWHLYAA-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001327299857 1388490782 /nfs/dbraw/zinc/49/07/82/1388490782.db2.gz PSXFFDZFKMKWDG-RBUKOAKNSA-N 2 1 349.563 3.101 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001327299929 1388490823 /nfs/dbraw/zinc/49/08/23/1388490823.db2.gz QYSHLYKKAUWJCA-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299929 1388490824 /nfs/dbraw/zinc/49/08/24/1388490824.db2.gz QYSHLYKKAUWJCA-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001327299929 1388490827 /nfs/dbraw/zinc/49/08/27/1388490827.db2.gz QYSHLYKKAUWJCA-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309955 1388494817 /nfs/dbraw/zinc/49/48/17/1388494817.db2.gz ZWWAQIPTXJZKHZ-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266877226 1377398676 /nfs/dbraw/zinc/39/86/76/1377398676.db2.gz JBTUPNMNTSKDDF-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269794302 1377572977 /nfs/dbraw/zinc/57/29/77/1377572977.db2.gz PNHKPJHRWDBYNH-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812358 1378623500 /nfs/dbraw/zinc/62/35/00/1378623500.db2.gz UOCCMBRJOWTLNI-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812358 1378623503 /nfs/dbraw/zinc/62/35/03/1378623503.db2.gz UOCCMBRJOWTLNI-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284065971 1379422093 /nfs/dbraw/zinc/42/20/93/1379422093.db2.gz DNVHDMSKBINQGY-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284065971 1379422096 /nfs/dbraw/zinc/42/20/96/1379422096.db2.gz DNVHDMSKBINQGY-QUCCMNQESA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328578407 1388781048 /nfs/dbraw/zinc/78/10/48/1388781048.db2.gz OBHRVQZWBMSARW-QGZVFWFLSA-N 2 1 346.519 3.107 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328578407 1388781051 /nfs/dbraw/zinc/78/10/51/1388781051.db2.gz OBHRVQZWBMSARW-QGZVFWFLSA-N 2 1 346.519 3.107 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316996952 1384753985 /nfs/dbraw/zinc/75/39/85/1384753985.db2.gz AZKOFOFPZJFRQK-GUDVDZBRSA-N 2 1 349.563 3.268 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001317227249 1385006744 /nfs/dbraw/zinc/00/67/44/1385006744.db2.gz VMCKUBBTOLLETE-WWDZGPRUSA-N 2 1 346.519 3.378 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317975259 1385595264 /nfs/dbraw/zinc/59/52/64/1385595264.db2.gz LBDLVLDHQOQTNN-IBGZPJMESA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001698627812 1406269971 /nfs/dbraw/zinc/26/99/71/1406269971.db2.gz WEHFVBOXTJHOGL-GOSISDBHSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319818761 1386314729 /nfs/dbraw/zinc/31/47/29/1386314729.db2.gz QQTQWSQARVAWLE-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001329242950 1389032596 /nfs/dbraw/zinc/03/25/96/1389032596.db2.gz HRHZFVZJRFDWGD-XEVCZEQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329954718 1389272985 /nfs/dbraw/zinc/27/29/85/1389272985.db2.gz UXUDGSKVGNEXHS-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264479 1389372462 /nfs/dbraw/zinc/37/24/62/1389372462.db2.gz YIOANCHMLPXIFN-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001330498998 1389431584 /nfs/dbraw/zinc/43/15/84/1389431584.db2.gz CPQFDJHXMHIGLT-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001330498998 1389431588 /nfs/dbraw/zinc/43/15/88/1389431588.db2.gz CPQFDJHXMHIGLT-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001330498998 1389431593 /nfs/dbraw/zinc/43/15/93/1389431593.db2.gz CPQFDJHXMHIGLT-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331438488 1389748532 /nfs/dbraw/zinc/74/85/32/1389748532.db2.gz HLAAUZYBXAKSNL-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001341119252 1390443205 /nfs/dbraw/zinc/44/32/05/1390443205.db2.gz HKMVJPZLRVGVQW-RXVVDRJESA-N 2 1 343.515 3.402 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001341119253 1390443297 /nfs/dbraw/zinc/44/32/97/1390443297.db2.gz HKMVJPZLRVGVQW-WIYYLYMNSA-N 2 1 343.515 3.402 10 30 EGEEMP C#CC[N@@H+](CCOC(C)(C)C)C1CCN(CCOC(C)(C)C)CC1 ZINC001349699507 1391354740 /nfs/dbraw/zinc/35/47/40/1391354740.db2.gz DHZOYECTPNTHBV-UHFFFAOYSA-N 2 1 338.536 3.016 10 30 EGEEMP C#CC[N@H+](CCOC(C)(C)C)C1CCN(CCOC(C)(C)C)CC1 ZINC001349699507 1391354745 /nfs/dbraw/zinc/35/47/45/1391354745.db2.gz DHZOYECTPNTHBV-UHFFFAOYSA-N 2 1 338.536 3.016 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001479716715 1392334925 /nfs/dbraw/zinc/33/49/25/1392334925.db2.gz QCVVTGWYLPPKSM-RDGPPVDQSA-N 2 1 337.552 3.266 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001479716715 1392334927 /nfs/dbraw/zinc/33/49/27/1392334927.db2.gz QCVVTGWYLPPKSM-RDGPPVDQSA-N 2 1 337.552 3.266 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001479716715 1392334930 /nfs/dbraw/zinc/33/49/30/1392334930.db2.gz QCVVTGWYLPPKSM-RDGPPVDQSA-N 2 1 337.552 3.266 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2)CC(C)(C)C1 ZINC001479748307 1392366431 /nfs/dbraw/zinc/36/64/31/1392366431.db2.gz RWWWYKGVMCJGEV-SFHVURJKSA-N 2 1 346.519 3.236 10 30 EGEEMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001479983810 1392517026 /nfs/dbraw/zinc/51/70/26/1392517026.db2.gz ZVPXKZKSNCUNNO-GOSISDBHSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480825948 1392963758 /nfs/dbraw/zinc/96/37/58/1392963758.db2.gz LBUVKRQGPLQTTC-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480825948 1392963763 /nfs/dbraw/zinc/96/37/63/1392963763.db2.gz LBUVKRQGPLQTTC-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480825948 1392963766 /nfs/dbraw/zinc/96/37/66/1392963766.db2.gz LBUVKRQGPLQTTC-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001698914217 1406648019 /nfs/dbraw/zinc/64/80/19/1406648019.db2.gz LCILEJGYLYUBTR-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481515906 1394364889 /nfs/dbraw/zinc/36/48/89/1394364889.db2.gz HDBPTAUDMIAPHJ-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481515906 1394364894 /nfs/dbraw/zinc/36/48/94/1394364894.db2.gz HDBPTAUDMIAPHJ-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001481515906 1394364898 /nfs/dbraw/zinc/36/48/98/1394364898.db2.gz HDBPTAUDMIAPHJ-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481526304 1394377989 /nfs/dbraw/zinc/37/79/89/1394377989.db2.gz NTMPVZNTXHHZHT-LJQANCHMSA-N 2 1 349.563 3.413 10 30 EGEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034373 1394694150 /nfs/dbraw/zinc/69/41/50/1394694150.db2.gz ZTWPDZZZAJDKNH-FQEVSTJZSA-N 2 1 343.515 3.231 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001482246745 1394843620 /nfs/dbraw/zinc/84/36/20/1394843620.db2.gz QWYRVVRZOSDYQR-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161337 1395296128 /nfs/dbraw/zinc/29/61/28/1395296128.db2.gz VCYCBNMLDAQUAH-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001484161337 1395296136 /nfs/dbraw/zinc/29/61/36/1395296136.db2.gz VCYCBNMLDAQUAH-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001484161337 1395296137 /nfs/dbraw/zinc/29/61/37/1395296137.db2.gz VCYCBNMLDAQUAH-TZIWHRDSSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001484388811 1395356582 /nfs/dbraw/zinc/35/65/82/1395356582.db2.gz LNVSAARQDVLQJB-UHZRXMQZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001484388811 1395356584 /nfs/dbraw/zinc/35/65/84/1395356584.db2.gz LNVSAARQDVLQJB-UHZRXMQZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001484388811 1395356591 /nfs/dbraw/zinc/35/65/91/1395356591.db2.gz LNVSAARQDVLQJB-UHZRXMQZSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484716248 1395477197 /nfs/dbraw/zinc/47/71/97/1395477197.db2.gz GOJOUNHLTFWYBI-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001484716248 1395477200 /nfs/dbraw/zinc/47/72/00/1395477200.db2.gz GOJOUNHLTFWYBI-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001484716248 1395477202 /nfs/dbraw/zinc/47/72/02/1395477202.db2.gz GOJOUNHLTFWYBI-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494583570 1396476358 /nfs/dbraw/zinc/47/63/58/1396476358.db2.gz KHAMMZCEOFKPHT-PXNSSMCTSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494907576 1396508648 /nfs/dbraw/zinc/50/86/48/1396508648.db2.gz VHXNCZZVJRJHEW-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001690195468 1404402925 /nfs/dbraw/zinc/40/29/25/1404402925.db2.gz WHXQPBWWIXITGA-SFHVURJKSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001690195468 1404402926 /nfs/dbraw/zinc/40/29/26/1404402926.db2.gz WHXQPBWWIXITGA-SFHVURJKSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690450511 1404575062 /nfs/dbraw/zinc/57/50/62/1404575062.db2.gz KWEHMSZIUGJZBO-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690450511 1404575064 /nfs/dbraw/zinc/57/50/64/1404575064.db2.gz KWEHMSZIUGJZBO-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690450511 1404575066 /nfs/dbraw/zinc/57/50/66/1404575066.db2.gz KWEHMSZIUGJZBO-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001690484276 1404601222 /nfs/dbraw/zinc/60/12/22/1404601222.db2.gz MSJMVDUTEDRLDJ-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001691818553 1405533121 /nfs/dbraw/zinc/53/31/21/1405533121.db2.gz FJVKZRDQPYTJGR-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818553 1405533125 /nfs/dbraw/zinc/53/31/25/1405533125.db2.gz FJVKZRDQPYTJGR-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818553 1405533129 /nfs/dbraw/zinc/53/31/29/1405533129.db2.gz FJVKZRDQPYTJGR-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001692004786 1405721207 /nfs/dbraw/zinc/72/12/07/1405721207.db2.gz LSDOCCWBXJWWQQ-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001692132051 1405789383 /nfs/dbraw/zinc/78/93/83/1405789383.db2.gz OUIGLVDWSWCRLA-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001692330002 1405948360 /nfs/dbraw/zinc/94/83/60/1405948360.db2.gz RWRIDSHRYBOFGD-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001732074749 1428325202 /nfs/dbraw/zinc/32/52/02/1428325202.db2.gz KIZRURIRIZBBIO-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001732074749 1428325205 /nfs/dbraw/zinc/32/52/05/1428325205.db2.gz KIZRURIRIZBBIO-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001733604235 1429814170 /nfs/dbraw/zinc/81/41/70/1429814170.db2.gz VUBMNYSDHBIWKF-FHWLQOOXSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158201 1428401730 /nfs/dbraw/zinc/40/17/30/1428401730.db2.gz BEBFAQSOUJAYKT-MSOLQXFVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001732403072 1428567622 /nfs/dbraw/zinc/56/76/22/1428567622.db2.gz CQGANFGXCPKCGQ-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732465508 1428595727 /nfs/dbraw/zinc/59/57/27/1428595727.db2.gz CCJPICOBVVJPTA-PKOBYXMFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001699979867 1413424640 /nfs/dbraw/zinc/42/46/40/1413424640.db2.gz RRLYJDOPIZGIRU-LWYYNNOASA-N 2 1 349.563 3.195 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001700016774 1413461905 /nfs/dbraw/zinc/46/19/05/1413461905.db2.gz KXZWPRHKHDCIPZ-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016774 1413461907 /nfs/dbraw/zinc/46/19/07/1413461907.db2.gz KXZWPRHKHDCIPZ-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001700016774 1413461909 /nfs/dbraw/zinc/46/19/09/1413461909.db2.gz KXZWPRHKHDCIPZ-RTBURBONSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001700178175 1413588758 /nfs/dbraw/zinc/58/87/58/1413588758.db2.gz HDPIVZGWKCCPPQ-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001700178175 1413588760 /nfs/dbraw/zinc/58/87/60/1413588760.db2.gz HDPIVZGWKCCPPQ-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001700178175 1413588762 /nfs/dbraw/zinc/58/87/62/1413588762.db2.gz HDPIVZGWKCCPPQ-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293884 1413751059 /nfs/dbraw/zinc/75/10/59/1413751059.db2.gz KLJMPZDLTADMSW-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001700314621 1413771314 /nfs/dbraw/zinc/77/13/14/1413771314.db2.gz VWOIVFWMMVRDFW-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001700692545 1414345826 /nfs/dbraw/zinc/34/58/26/1414345826.db2.gz INCFZNMJGRCAIF-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001700919400 1414571192 /nfs/dbraw/zinc/57/11/92/1414571192.db2.gz WQNUHYJMJJMGSW-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713135651 1417715897 /nfs/dbraw/zinc/71/58/97/1417715897.db2.gz NYIJLKZFBBQTLQ-LJQANCHMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713232670 1417819028 /nfs/dbraw/zinc/81/90/28/1417819028.db2.gz BURRFVRRECBFHW-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507249 1418231366 /nfs/dbraw/zinc/23/13/66/1418231366.db2.gz LJDHALTVVQWMFA-WBVHZDCISA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507249 1418231368 /nfs/dbraw/zinc/23/13/68/1418231368.db2.gz LJDHALTVVQWMFA-WBVHZDCISA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713851640 1418648386 /nfs/dbraw/zinc/64/83/86/1418648386.db2.gz WMRXZRNQMGWQJX-ROUUACIJSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146665 1418951340 /nfs/dbraw/zinc/95/13/40/1418951340.db2.gz ZPQZWSCWILZNIA-UXHICEINSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714813819 1419524713 /nfs/dbraw/zinc/52/47/13/1419524713.db2.gz IENRWAOZVRJWJP-PXNSSMCTSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001715203957 1419937547 /nfs/dbraw/zinc/93/75/47/1419937547.db2.gz CHCBRTIXOHPUMP-HBFSDRIKSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715403566 1420101995 /nfs/dbraw/zinc/10/19/95/1420101995.db2.gz ROGULYLZNWKZFT-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001715408242 1420105841 /nfs/dbraw/zinc/10/58/41/1420105841.db2.gz DQGKYRSLJCTBKP-PKOBYXMFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001716713699 1420867852 /nfs/dbraw/zinc/86/78/52/1420867852.db2.gz OGCYWMSTGUVKMY-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001716713699 1420867855 /nfs/dbraw/zinc/86/78/55/1420867855.db2.gz OGCYWMSTGUVKMY-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001716713699 1420867858 /nfs/dbraw/zinc/86/78/58/1420867858.db2.gz OGCYWMSTGUVKMY-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716877152 1421002659 /nfs/dbraw/zinc/00/26/59/1421002659.db2.gz XEJZXGBRAVAQKU-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900258 1421030983 /nfs/dbraw/zinc/03/09/83/1421030983.db2.gz NQOWOGIRXFJUNX-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001717125232 1421127431 /nfs/dbraw/zinc/12/74/31/1421127431.db2.gz GOHXEYXCYQMKEL-IWFBPKFRSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288779 1429465884 /nfs/dbraw/zinc/46/58/84/1429465884.db2.gz YRUNLSLGLWHVKP-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001717627393 1421536776 /nfs/dbraw/zinc/53/67/76/1421536776.db2.gz PXMVHFRLUZJNHA-XUVXKRRUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001733377966 1429561443 /nfs/dbraw/zinc/56/14/43/1429561443.db2.gz ABCFPHQXGBEOCI-WOJBJXKFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001733436532 1429643964 /nfs/dbraw/zinc/64/39/64/1429643964.db2.gz ATESCGRZYOHKGH-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001733458473 1429679261 /nfs/dbraw/zinc/67/92/61/1429679261.db2.gz GSRWBVWRXUUCMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733458473 1429679264 /nfs/dbraw/zinc/67/92/64/1429679264.db2.gz GSRWBVWRXUUCMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733458473 1429679266 /nfs/dbraw/zinc/67/92/66/1429679266.db2.gz GSRWBVWRXUUCMV-ICSRJNTNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CCCCCC1 ZINC001723640234 1424506571 /nfs/dbraw/zinc/50/65/71/1424506571.db2.gz KGFCNCAATBWHDJ-UHFFFAOYSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678965 1424525705 /nfs/dbraw/zinc/52/57/05/1424525705.db2.gz HIRVZBZUCBJFQM-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001723678965 1424525711 /nfs/dbraw/zinc/52/57/11/1424525711.db2.gz HIRVZBZUCBJFQM-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001723678965 1424525712 /nfs/dbraw/zinc/52/57/12/1424525712.db2.gz HIRVZBZUCBJFQM-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678964 1424525731 /nfs/dbraw/zinc/52/57/31/1424525731.db2.gz HIRVZBZUCBJFQM-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001723678964 1424525737 /nfs/dbraw/zinc/52/57/37/1424525737.db2.gz HIRVZBZUCBJFQM-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001723678964 1424525744 /nfs/dbraw/zinc/52/57/44/1424525744.db2.gz HIRVZBZUCBJFQM-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001723679769 1424527443 /nfs/dbraw/zinc/52/74/43/1424527443.db2.gz MNOFRKGDOMEJOP-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723727867 1424552040 /nfs/dbraw/zinc/55/20/40/1424552040.db2.gz XYHSYJKDAIXMDS-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001724334194 1424827951 /nfs/dbraw/zinc/82/79/51/1424827951.db2.gz SZQBHTFYBCVJBN-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334194 1424827957 /nfs/dbraw/zinc/82/79/57/1424827957.db2.gz SZQBHTFYBCVJBN-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334194 1424827965 /nfs/dbraw/zinc/82/79/65/1424827965.db2.gz SZQBHTFYBCVJBN-HXUWFJFHSA-N 2 1 337.552 3.149 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001724334727 1424829462 /nfs/dbraw/zinc/82/94/62/1424829462.db2.gz VNOKNDVYICOAQU-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334727 1424829469 /nfs/dbraw/zinc/82/94/69/1424829469.db2.gz VNOKNDVYICOAQU-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334727 1424829473 /nfs/dbraw/zinc/82/94/73/1424829473.db2.gz VNOKNDVYICOAQU-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342630 1424838659 /nfs/dbraw/zinc/83/86/59/1424838659.db2.gz BJOJVOPZYBQHPL-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724730428 1425082231 /nfs/dbraw/zinc/08/22/31/1425082231.db2.gz VLDSCZVEPZAUSK-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724991868 1425393842 /nfs/dbraw/zinc/39/38/42/1425393842.db2.gz IRLUOLUBHYYWAY-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001724991868 1425393850 /nfs/dbraw/zinc/39/38/50/1425393850.db2.gz IRLUOLUBHYYWAY-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001724991868 1425393856 /nfs/dbraw/zinc/39/38/56/1425393856.db2.gz IRLUOLUBHYYWAY-IRXDYDNUSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725238874 1425835592 /nfs/dbraw/zinc/83/55/92/1425835592.db2.gz HGQVJFDMBPFDLM-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725461412 1426127390 /nfs/dbraw/zinc/12/73/90/1426127390.db2.gz MCOGAKRAFXPSIB-SFHVURJKSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001725642666 1426321928 /nfs/dbraw/zinc/32/19/28/1426321928.db2.gz WKTNMUXVZLBTHO-ZWKOTPCHSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725830035 1426508318 /nfs/dbraw/zinc/50/83/18/1426508318.db2.gz OHJPOMMTTNECQR-HXUWFJFHSA-N 2 1 341.499 3.004 10 30 EGEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001725830035 1426508320 /nfs/dbraw/zinc/50/83/20/1426508320.db2.gz OHJPOMMTTNECQR-HXUWFJFHSA-N 2 1 341.499 3.004 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731502831 1427484530 /nfs/dbraw/zinc/48/45/30/1427484530.db2.gz KIRTZEACVHRRNN-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731504097 1427488188 /nfs/dbraw/zinc/48/81/88/1427488188.db2.gz UPXOKCXYBCDCRG-QGZVFWFLSA-N 2 1 340.471 3.051 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731526081 1427514312 /nfs/dbraw/zinc/51/43/12/1427514312.db2.gz LUILXJPQVPYRNN-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001731995451 1428204307 /nfs/dbraw/zinc/20/43/07/1428204307.db2.gz GKFHIYIKURRFPF-KRWDZBQOSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001734273321 1438006401 /nfs/dbraw/zinc/00/64/01/1438006401.db2.gz KHWJDIXXWUNBRC-UHFFFAOYSA-N 2 1 335.536 3.142 10 30 EGEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001734289969 1438019986 /nfs/dbraw/zinc/01/99/86/1438019986.db2.gz YGCRRUVAZKMUHJ-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440912 1438103078 /nfs/dbraw/zinc/10/30/78/1438103078.db2.gz NNJDZKJVJTVYNF-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440912 1438103079 /nfs/dbraw/zinc/10/30/79/1438103079.db2.gz NNJDZKJVJTVYNF-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440912 1438103080 /nfs/dbraw/zinc/10/30/80/1438103080.db2.gz NNJDZKJVJTVYNF-YLJYHZDGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440910 1438103169 /nfs/dbraw/zinc/10/31/69/1438103169.db2.gz NNJDZKJVJTVYNF-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440910 1438103170 /nfs/dbraw/zinc/10/31/70/1438103170.db2.gz NNJDZKJVJTVYNF-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440910 1438103171 /nfs/dbraw/zinc/10/31/71/1438103171.db2.gz NNJDZKJVJTVYNF-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001734579213 1438171544 /nfs/dbraw/zinc/17/15/44/1438171544.db2.gz QDNGDLCGEJHOPE-RMJJICAUSA-N 2 1 349.563 3.288 10 30 EGEEMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734635739 1438195987 /nfs/dbraw/zinc/19/59/87/1438195987.db2.gz RFOVVBRUWGUZRA-HXUWFJFHSA-N 2 1 341.499 3.004 10 30 EGEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734635739 1438195989 /nfs/dbraw/zinc/19/59/89/1438195989.db2.gz RFOVVBRUWGUZRA-HXUWFJFHSA-N 2 1 341.499 3.004 10 30 EGEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734635739 1438195991 /nfs/dbraw/zinc/19/59/91/1438195991.db2.gz RFOVVBRUWGUZRA-HXUWFJFHSA-N 2 1 341.499 3.004 10 30 EGEEMP N#Cc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000594520127 459076968 /nfs/dbraw/zinc/07/69/68/459076968.db2.gz ZQLWFYWVNUNKEK-FQEVSTJZSA-N 2 1 339.483 3.170 10 30 EGEEMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592067191 459520009 /nfs/dbraw/zinc/52/00/09/459520009.db2.gz RJQXGGJZGPZYHG-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592067191 459520014 /nfs/dbraw/zinc/52/00/14/459520014.db2.gz RJQXGGJZGPZYHG-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992565 460273117 /nfs/dbraw/zinc/27/31/17/460273117.db2.gz RDBOJEXRGBBRBA-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(OC)c1O ZINC000656786290 461898553 /nfs/dbraw/zinc/89/85/53/461898553.db2.gz RXUCEBDEPYCTAH-IBGZPJMESA-N 2 1 344.499 3.341 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722614 461913604 /nfs/dbraw/zinc/91/36/04/461913604.db2.gz XWZKIDQILNTTOM-RLLQIKCJSA-N 2 1 330.472 3.112 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138511 1331350046 /nfs/dbraw/zinc/35/00/46/1331350046.db2.gz LFCGIIJBCDAJJL-LJQANCHMSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001325662881 1388024481 /nfs/dbraw/zinc/02/44/81/1388024481.db2.gz SVFZLWBSMCTWTH-UFYCRDLUSA-N 2 1 349.563 3.195 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566216 1388241652 /nfs/dbraw/zinc/24/16/52/1388241652.db2.gz GZWHXNQFQDSQJO-GUDVDZBRSA-N 2 1 335.536 3.092 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328006485 1388643719 /nfs/dbraw/zinc/64/37/19/1388643719.db2.gz FHLBBBZDNISARS-UHFFFAOYSA-N 2 1 334.508 3.133 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001328811336 1388876469 /nfs/dbraw/zinc/87/64/69/1388876469.db2.gz AURTWPYTQVRLSK-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951561 1384725724 /nfs/dbraw/zinc/72/57/24/1384725724.db2.gz AWLXXIUTUCJJIW-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317159591 1384923766 /nfs/dbraw/zinc/92/37/66/1384923766.db2.gz IXTYIWKKGJRHSG-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317213593 1384993691 /nfs/dbraw/zinc/99/36/91/1384993691.db2.gz GIDVRSZIHLWRLK-PXTPFGJHSA-N 2 1 349.563 3.124 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001319032103 1385938125 /nfs/dbraw/zinc/93/81/25/1385938125.db2.gz VARCOZSQSKMYEE-FQEVSTJZSA-N 2 1 349.563 3.293 10 30 EGEEMP C=CCc1cc(OC)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001337806591 1389448445 /nfs/dbraw/zinc/44/84/45/1389448445.db2.gz UMFUNYZVFOQZES-SCTDSRPQSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332013081 1389946027 /nfs/dbraw/zinc/94/60/27/1389946027.db2.gz HTSTWXVGPLEVNL-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332217170 1390048420 /nfs/dbraw/zinc/04/84/20/1390048420.db2.gz GTJMKFIHXJSZNN-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001332960127 1390224471 /nfs/dbraw/zinc/22/44/71/1390224471.db2.gz MPCMRBPSOJVDGC-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087581 1392577107 /nfs/dbraw/zinc/57/71/07/1392577107.db2.gz OJFJPISAGGISEV-WOJBJXKFSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001480320442 1392680538 /nfs/dbraw/zinc/68/05/38/1392680538.db2.gz VEQYXYXLSXDNKQ-RBUKOAKNSA-N 2 1 337.552 3.412 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001480320442 1392680540 /nfs/dbraw/zinc/68/05/40/1392680540.db2.gz VEQYXYXLSXDNKQ-RBUKOAKNSA-N 2 1 337.552 3.412 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480320442 1392680542 /nfs/dbraw/zinc/68/05/42/1392680542.db2.gz VEQYXYXLSXDNKQ-RBUKOAKNSA-N 2 1 337.552 3.412 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480320442 1392680547 /nfs/dbraw/zinc/68/05/47/1392680547.db2.gz VEQYXYXLSXDNKQ-RBUKOAKNSA-N 2 1 337.552 3.412 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001482000127 1394659137 /nfs/dbraw/zinc/65/91/37/1394659137.db2.gz GUFOBAIQYVWVKD-WOJBJXKFSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001482071544 1394734250 /nfs/dbraw/zinc/73/42/50/1394734250.db2.gz UWCZPCLLCWEEAC-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484100979 1395250623 /nfs/dbraw/zinc/25/06/23/1395250623.db2.gz PMBZWROAJRWJGH-AZUAARDMSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484122259 1395264660 /nfs/dbraw/zinc/26/46/60/1395264660.db2.gz QOKZLFQXALCFKQ-FPOVZHCZSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484170352 1395309310 /nfs/dbraw/zinc/30/93/10/1395309310.db2.gz ONKDTFWKRGUPJM-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170352 1395309317 /nfs/dbraw/zinc/30/93/17/1395309317.db2.gz ONKDTFWKRGUPJM-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170352 1395309320 /nfs/dbraw/zinc/30/93/20/1395309320.db2.gz ONKDTFWKRGUPJM-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484716249 1395477216 /nfs/dbraw/zinc/47/72/16/1395477216.db2.gz GOJOUNHLTFWYBI-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001484716249 1395477219 /nfs/dbraw/zinc/47/72/19/1395477219.db2.gz GOJOUNHLTFWYBI-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001484716249 1395477221 /nfs/dbraw/zinc/47/72/21/1395477221.db2.gz GOJOUNHLTFWYBI-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001505397389 1396285082 /nfs/dbraw/zinc/28/50/82/1396285082.db2.gz DQSQSDXQPOQZEC-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001505397389 1396285086 /nfs/dbraw/zinc/28/50/86/1396285086.db2.gz DQSQSDXQPOQZEC-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001505397389 1396285089 /nfs/dbraw/zinc/28/50/89/1396285089.db2.gz DQSQSDXQPOQZEC-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001689192360 1396966860 /nfs/dbraw/zinc/96/68/60/1396966860.db2.gz BRLWADGEFVGMMP-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001689192360 1396966863 /nfs/dbraw/zinc/96/68/63/1396966863.db2.gz BRLWADGEFVGMMP-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001689192360 1396966868 /nfs/dbraw/zinc/96/68/68/1396966868.db2.gz BRLWADGEFVGMMP-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001689192360 1396966873 /nfs/dbraw/zinc/96/68/73/1396966873.db2.gz BRLWADGEFVGMMP-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001689270054 1397001036 /nfs/dbraw/zinc/00/10/36/1397001036.db2.gz GSWKXXXJWVQBSA-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001689271991 1397009210 /nfs/dbraw/zinc/00/92/10/1397009210.db2.gz VEVBWQWSJJNUNC-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690501618 1404615163 /nfs/dbraw/zinc/61/51/63/1404615163.db2.gz NJLXDIFZXLXAPH-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501618 1404615167 /nfs/dbraw/zinc/61/51/67/1404615167.db2.gz NJLXDIFZXLXAPH-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001690501618 1404615170 /nfs/dbraw/zinc/61/51/70/1404615170.db2.gz NJLXDIFZXLXAPH-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001690814078 1404748720 /nfs/dbraw/zinc/74/87/20/1404748720.db2.gz ABPFHJIHKULTHD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690814078 1404748723 /nfs/dbraw/zinc/74/87/23/1404748723.db2.gz ABPFHJIHKULTHD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001690814078 1404748724 /nfs/dbraw/zinc/74/87/24/1404748724.db2.gz ABPFHJIHKULTHD-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001691491303 1405299481 /nfs/dbraw/zinc/29/94/81/1405299481.db2.gz SLRWYIXHEPUYMJ-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001691647001 1405378805 /nfs/dbraw/zinc/37/88/05/1405378805.db2.gz VCWIMUJHJFLBEV-GOSISDBHSA-N 2 1 335.536 3.118 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001691677896 1405411867 /nfs/dbraw/zinc/41/18/67/1405411867.db2.gz JGHRKACTLHSBBM-XLIONFOSSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691681579 1405416635 /nfs/dbraw/zinc/41/66/35/1405416635.db2.gz BAKVPWQSPPDXTR-UYAOXDASSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001691987975 1405700045 /nfs/dbraw/zinc/70/00/45/1405700045.db2.gz DUTNFNOJXNBAPH-OTWHNJEPSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001691987975 1405700048 /nfs/dbraw/zinc/70/00/48/1405700048.db2.gz DUTNFNOJXNBAPH-OTWHNJEPSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001691987975 1405700049 /nfs/dbraw/zinc/70/00/49/1405700049.db2.gz DUTNFNOJXNBAPH-OTWHNJEPSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001692280379 1405916428 /nfs/dbraw/zinc/91/64/28/1405916428.db2.gz UWPOEGYTCWKNRE-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001698577182 1406186896 /nfs/dbraw/zinc/18/68/96/1406186896.db2.gz OEPSKQNQNXBPEL-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001698577182 1406186898 /nfs/dbraw/zinc/18/68/98/1406186898.db2.gz OEPSKQNQNXBPEL-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577182 1406186899 /nfs/dbraw/zinc/18/68/99/1406186899.db2.gz OEPSKQNQNXBPEL-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577182 1406186900 /nfs/dbraw/zinc/18/69/00/1406186900.db2.gz OEPSKQNQNXBPEL-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001732020423 1428238085 /nfs/dbraw/zinc/23/80/85/1428238085.db2.gz TUXXMNCOOOKKEW-QZTJIDSGSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732020423 1428238086 /nfs/dbraw/zinc/23/80/86/1428238086.db2.gz TUXXMNCOOOKKEW-QZTJIDSGSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001732289998 1428516207 /nfs/dbraw/zinc/51/62/07/1428516207.db2.gz ZGQCFZSQQTUBMM-UWJYYQICSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001732531757 1428652891 /nfs/dbraw/zinc/65/28/91/1428652891.db2.gz ZUSAEMKWKLTZSK-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001699879753 1413346042 /nfs/dbraw/zinc/34/60/42/1413346042.db2.gz XISYWVYWHHKFMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699879753 1413346046 /nfs/dbraw/zinc/34/60/46/1413346046.db2.gz XISYWVYWHHKFMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699879753 1413346049 /nfs/dbraw/zinc/34/60/49/1413346049.db2.gz XISYWVYWHHKFMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466287 1414074060 /nfs/dbraw/zinc/07/40/60/1414074060.db2.gz LITPVGQIUIXMRB-LSDHHAIUSA-N 2 1 328.460 3.048 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001700638608 1414304870 /nfs/dbraw/zinc/30/48/70/1414304870.db2.gz HMOLORAIPQFHKA-QWFCFKBJSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700641327 1414307343 /nfs/dbraw/zinc/30/73/43/1414307343.db2.gz UPBQQAKUGZASLZ-NCXUSEDFSA-N 2 1 335.536 3.088 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700883225 1414540538 /nfs/dbraw/zinc/54/05/38/1414540538.db2.gz RESZZJCUJHBQRK-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001713265375 1417873641 /nfs/dbraw/zinc/87/36/41/1417873641.db2.gz CVDYCAHIUOMBNR-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713268669 1417877692 /nfs/dbraw/zinc/87/76/92/1417877692.db2.gz BLXJYYQZBRZJBP-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713275898 1417894952 /nfs/dbraw/zinc/89/49/52/1417894952.db2.gz OJJBNZSYZAVGLM-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275898 1417894954 /nfs/dbraw/zinc/89/49/54/1417894954.db2.gz OJJBNZSYZAVGLM-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275898 1417894956 /nfs/dbraw/zinc/89/49/56/1417894956.db2.gz OJJBNZSYZAVGLM-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720223 1418491431 /nfs/dbraw/zinc/49/14/31/1418491431.db2.gz QTIHQJPYAFTNFF-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[N@H+](C)CCC)C1 ZINC001713762634 1418573624 /nfs/dbraw/zinc/57/36/24/1418573624.db2.gz RTLDGRICOGTRQE-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+](C)CCC)C1 ZINC001713762634 1418573626 /nfs/dbraw/zinc/57/36/26/1418573626.db2.gz RTLDGRICOGTRQE-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[NH+](C)CCC)C1 ZINC001713762634 1418573630 /nfs/dbraw/zinc/57/36/30/1418573630.db2.gz RTLDGRICOGTRQE-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714034219 1418823331 /nfs/dbraw/zinc/82/33/31/1418823331.db2.gz NWLHUFOGGMIGES-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001714130173 1418933812 /nfs/dbraw/zinc/93/38/12/1418933812.db2.gz YYWQETHWBDKWLM-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001714492925 1419216727 /nfs/dbraw/zinc/21/67/27/1419216727.db2.gz AHIMSQJNHOKIQC-SFHVURJKSA-N 2 1 347.547 3.236 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714525331 1419251546 /nfs/dbraw/zinc/25/15/46/1419251546.db2.gz VKVOPJGSPUQAQN-FHWLQOOXSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714525331 1419251549 /nfs/dbraw/zinc/25/15/49/1419251549.db2.gz VKVOPJGSPUQAQN-FHWLQOOXSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714525331 1419251551 /nfs/dbraw/zinc/25/15/51/1419251551.db2.gz VKVOPJGSPUQAQN-FHWLQOOXSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001714867615 1419594640 /nfs/dbraw/zinc/59/46/40/1419594640.db2.gz NEQQPEZEGCNOIR-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714867615 1419594642 /nfs/dbraw/zinc/59/46/42/1419594642.db2.gz NEQQPEZEGCNOIR-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714867615 1419594645 /nfs/dbraw/zinc/59/46/45/1419594645.db2.gz NEQQPEZEGCNOIR-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715202849 1419935922 /nfs/dbraw/zinc/93/59/22/1419935922.db2.gz CFBOIGQHRZSAHW-FQEVSTJZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715449357 1420132721 /nfs/dbraw/zinc/13/27/21/1420132721.db2.gz ROBXVVZKIGSCQL-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001716712067 1420864617 /nfs/dbraw/zinc/86/46/17/1420864617.db2.gz VCGISIODMRWJHL-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001716712067 1420864619 /nfs/dbraw/zinc/86/46/19/1420864619.db2.gz VCGISIODMRWJHL-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716734329 1420892450 /nfs/dbraw/zinc/89/24/50/1420892450.db2.gz RUESWUAAEPAGGF-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001717122814 1421125725 /nfs/dbraw/zinc/12/57/25/1421125725.db2.gz KUVJQNRIBHGHLT-IYARVYRRSA-N 2 1 346.519 3.237 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717309768 1421252800 /nfs/dbraw/zinc/25/28/00/1421252800.db2.gz SPKCWUNEUFDFPQ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717309768 1421252801 /nfs/dbraw/zinc/25/28/01/1421252801.db2.gz SPKCWUNEUFDFPQ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717309768 1421252802 /nfs/dbraw/zinc/25/28/02/1421252802.db2.gz SPKCWUNEUFDFPQ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717338946 1421276718 /nfs/dbraw/zinc/27/67/18/1421276718.db2.gz GKSGGTLFMXEJHW-PXNSSMCTSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001717344109 1421282804 /nfs/dbraw/zinc/28/28/04/1421282804.db2.gz JBOJLJNCMPITKS-HXUWFJFHSA-N 2 1 343.515 3.010 10 30 EGEEMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001717344109 1421282806 /nfs/dbraw/zinc/28/28/06/1421282806.db2.gz JBOJLJNCMPITKS-HXUWFJFHSA-N 2 1 343.515 3.010 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CCC ZINC001717344109 1421282808 /nfs/dbraw/zinc/28/28/08/1421282808.db2.gz JBOJLJNCMPITKS-HXUWFJFHSA-N 2 1 343.515 3.010 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717457876 1421387410 /nfs/dbraw/zinc/38/74/10/1421387410.db2.gz WJERIRGSJMDHLY-SQNIBIBYSA-N 2 1 337.552 3.146 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001717906385 1421702084 /nfs/dbraw/zinc/70/20/84/1421702084.db2.gz XXKHHDDZJVKWJE-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733392828 1429583315 /nfs/dbraw/zinc/58/33/15/1429583315.db2.gz HYAUWPAWUROVAN-NRFANRHFSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733465744 1429697905 /nfs/dbraw/zinc/69/79/05/1429697905.db2.gz OOYHREJRENBRRT-NRFANRHFSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001724126353 1424678282 /nfs/dbraw/zinc/67/82/82/1424678282.db2.gz RQANDHWBCQREPN-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001724126353 1424678287 /nfs/dbraw/zinc/67/82/87/1424678287.db2.gz RQANDHWBCQREPN-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001724126353 1424678292 /nfs/dbraw/zinc/67/82/92/1424678292.db2.gz RQANDHWBCQREPN-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001724306920 1424789295 /nfs/dbraw/zinc/78/92/95/1424789295.db2.gz OXRIXIJNRISKJV-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001733566657 1429768289 /nfs/dbraw/zinc/76/82/89/1429768289.db2.gz YMLJRRQEXQPYBG-IYWMVGAKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001733566657 1429768290 /nfs/dbraw/zinc/76/82/90/1429768290.db2.gz YMLJRRQEXQPYBG-IYWMVGAKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001733566657 1429768292 /nfs/dbraw/zinc/76/82/92/1429768292.db2.gz YMLJRRQEXQPYBG-IYWMVGAKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724659248 1425036025 /nfs/dbraw/zinc/03/60/25/1425036025.db2.gz UZOZCSMDLVSWAC-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659248 1425036085 /nfs/dbraw/zinc/03/60/85/1425036085.db2.gz UZOZCSMDLVSWAC-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659248 1425036112 /nfs/dbraw/zinc/03/61/12/1425036112.db2.gz UZOZCSMDLVSWAC-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001724736284 1425092502 /nfs/dbraw/zinc/09/25/02/1425092502.db2.gz FZRYITBDXUHVAP-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001724736284 1425092510 /nfs/dbraw/zinc/09/25/10/1425092510.db2.gz FZRYITBDXUHVAP-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001724736284 1425092518 /nfs/dbraw/zinc/09/25/18/1425092518.db2.gz FZRYITBDXUHVAP-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001725422297 1426072502 /nfs/dbraw/zinc/07/25/02/1426072502.db2.gz UDQKCRHIWXSKDL-QGZVFWFLSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001725422297 1426072513 /nfs/dbraw/zinc/07/25/13/1426072513.db2.gz UDQKCRHIWXSKDL-QGZVFWFLSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001725558660 1426223540 /nfs/dbraw/zinc/22/35/40/1426223540.db2.gz KGDSTRFRRCHILZ-IEBWSBKVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001725671466 1426355208 /nfs/dbraw/zinc/35/52/08/1426355208.db2.gz SVUILPPWRKYGPU-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561038 1427596543 /nfs/dbraw/zinc/59/65/43/1427596543.db2.gz DESLTYJWHFGSPV-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731828365 1428034456 /nfs/dbraw/zinc/03/44/56/1428034456.db2.gz NYFSFWAZHNGXEV-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001731828365 1428034459 /nfs/dbraw/zinc/03/44/59/1428034459.db2.gz NYFSFWAZHNGXEV-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001731828365 1428034462 /nfs/dbraw/zinc/03/44/62/1428034462.db2.gz NYFSFWAZHNGXEV-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001733695590 1429913784 /nfs/dbraw/zinc/91/37/84/1429913784.db2.gz ISRNQPHVBOPRLD-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001733762618 1429979473 /nfs/dbraw/zinc/97/94/73/1429979473.db2.gz BURQGNOFVGNBAN-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733762618 1429979476 /nfs/dbraw/zinc/97/94/76/1429979476.db2.gz BURQGNOFVGNBAN-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733762618 1429979480 /nfs/dbraw/zinc/97/94/80/1429979480.db2.gz BURQGNOFVGNBAN-MOPGFXCFSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001733783060 1430050328 /nfs/dbraw/zinc/05/03/28/1430050328.db2.gz VSRWUKKXXWRJPL-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783060 1430050334 /nfs/dbraw/zinc/05/03/34/1430050334.db2.gz VSRWUKKXXWRJPL-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783060 1430050340 /nfs/dbraw/zinc/05/03/40/1430050340.db2.gz VSRWUKKXXWRJPL-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733907716 1437726645 /nfs/dbraw/zinc/72/66/45/1437726645.db2.gz VNOOPAACPFIWJA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907716 1437726646 /nfs/dbraw/zinc/72/66/46/1437726646.db2.gz VNOOPAACPFIWJA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907716 1437726647 /nfs/dbraw/zinc/72/66/47/1437726647.db2.gz VNOOPAACPFIWJA-FQEVSTJZSA-N 2 1 343.515 3.008 10 30 EGEEMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600717934 460577940 /nfs/dbraw/zinc/57/79/40/460577940.db2.gz UJDVCISZPRQXMK-PXNSSMCTSA-N 2 1 341.499 3.063 10 30 EGEEMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358578748 458088189 /nfs/dbraw/zinc/08/81/89/458088189.db2.gz WMLDQUXYMXYJPP-HNNXBMFYSA-N 2 1 341.430 3.489 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567612453 459134255 /nfs/dbraw/zinc/13/42/55/459134255.db2.gz PRVPEOKXDSCRME-ZCNNSNEGSA-N 2 1 326.484 3.364 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567612453 459134260 /nfs/dbraw/zinc/13/42/60/459134260.db2.gz PRVPEOKXDSCRME-ZCNNSNEGSA-N 2 1 326.484 3.364 10 30 EGEEMP C=CCc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc(OC)c1O ZINC000527807956 459743967 /nfs/dbraw/zinc/74/39/67/459743967.db2.gz OGJGTNBOJVBOCZ-GOSISDBHSA-N 2 1 330.472 3.236 10 30 EGEEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnc(C#N)c1 ZINC000615798557 460393833 /nfs/dbraw/zinc/39/38/33/460393833.db2.gz DQGOQDWGDZEPFL-IAGOWNOFSA-N 2 1 334.467 3.199 10 30 EGEEMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600215036 460446074 /nfs/dbraw/zinc/44/60/74/460446074.db2.gz XTJNFHCRRRDAIT-UHFFFAOYSA-N 2 1 349.478 3.251 10 30 EGEEMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1Cc2ccccc2O1 ZINC000883189975 1302295933 /nfs/dbraw/zinc/29/59/33/1302295933.db2.gz SGASWDVMLKFPBK-QUCCMNQESA-N 2 1 344.499 3.025 10 30 EGEEMP C#CC[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000862445072 1329488079 /nfs/dbraw/zinc/48/80/79/1329488079.db2.gz LGWITDDQGFTXRW-GOSISDBHSA-N 2 1 325.500 3.062 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000941068284 1331318927 /nfs/dbraw/zinc/31/89/27/1331318927.db2.gz ONFCUSNAUZQYHQ-KRWDZBQOSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068284 1331318934 /nfs/dbraw/zinc/31/89/34/1331318934.db2.gz ONFCUSNAUZQYHQ-KRWDZBQOSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068284 1331318941 /nfs/dbraw/zinc/31/89/41/1331318941.db2.gz ONFCUSNAUZQYHQ-KRWDZBQOSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001323150184 1387303205 /nfs/dbraw/zinc/30/32/05/1387303205.db2.gz QAVMECPTANROHD-MJGOQNOKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001323693765 1387422915 /nfs/dbraw/zinc/42/29/15/1387422915.db2.gz RHAAWUDLSFXNAT-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001323693765 1387422916 /nfs/dbraw/zinc/42/29/16/1387422916.db2.gz RHAAWUDLSFXNAT-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001323693765 1387422917 /nfs/dbraw/zinc/42/29/17/1387422917.db2.gz RHAAWUDLSFXNAT-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557343 1387674112 /nfs/dbraw/zinc/67/41/12/1387674112.db2.gz PMNHCFVRBNVPFD-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266884375 1377399850 /nfs/dbraw/zinc/39/98/50/1377399850.db2.gz OIWQNORZPVFFPG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001282715093 1378573491 /nfs/dbraw/zinc/57/34/91/1378573491.db2.gz OHNFDLNXKXVPPJ-QZTJIDSGSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327695538 1388584848 /nfs/dbraw/zinc/58/48/48/1388584848.db2.gz INJWNPLJRRCEEQ-OXQOHEQNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001327695538 1388584854 /nfs/dbraw/zinc/58/48/54/1388584854.db2.gz INJWNPLJRRCEEQ-OXQOHEQNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001327695538 1388584859 /nfs/dbraw/zinc/58/48/59/1388584859.db2.gz INJWNPLJRRCEEQ-OXQOHEQNSA-N 2 1 341.499 3.067 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284065961 1379422464 /nfs/dbraw/zinc/42/24/64/1379422464.db2.gz DNVHDMSKBINQGY-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001284065961 1379422467 /nfs/dbraw/zinc/42/24/67/1379422467.db2.gz DNVHDMSKBINQGY-AZUAARDMSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001284719517 1380138443 /nfs/dbraw/zinc/13/84/43/1380138443.db2.gz PHSZCPGLBWSUGB-IRXDYDNUSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001328467368 1388754798 /nfs/dbraw/zinc/75/47/98/1388754798.db2.gz DSPCBAXJDZZXBC-XLIONFOSSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001316790461 1384584112 /nfs/dbraw/zinc/58/41/12/1384584112.db2.gz VBKDKKVINLADKF-HOJAQTOUSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001316790461 1384584113 /nfs/dbraw/zinc/58/41/13/1384584113.db2.gz VBKDKKVINLADKF-HOJAQTOUSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001316790461 1384584115 /nfs/dbraw/zinc/58/41/15/1384584115.db2.gz VBKDKKVINLADKF-HOJAQTOUSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316877561 1384662117 /nfs/dbraw/zinc/66/21/17/1384662117.db2.gz DMOHNMNDHCIZJH-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316877561 1384662120 /nfs/dbraw/zinc/66/21/20/1384662120.db2.gz DMOHNMNDHCIZJH-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001316919457 1384690015 /nfs/dbraw/zinc/69/00/15/1384690015.db2.gz FVZQNMBZEVVXGP-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316919457 1384690017 /nfs/dbraw/zinc/69/00/17/1384690017.db2.gz FVZQNMBZEVVXGP-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001316919457 1384690018 /nfs/dbraw/zinc/69/00/18/1384690018.db2.gz FVZQNMBZEVVXGP-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317527180 1385249834 /nfs/dbraw/zinc/24/98/34/1385249834.db2.gz ONZKTNLOFOVBFC-GOSISDBHSA-N 2 1 335.536 3.023 10 30 EGEEMP C=CCC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382623 1385270610 /nfs/dbraw/zinc/27/06/10/1385270610.db2.gz SGQGLQYEEPLWAC-PWRODBHTSA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317687202 1385398133 /nfs/dbraw/zinc/39/81/33/1385398133.db2.gz QSCSOMULMAUDGK-IEBWSBKVSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001318403293 1385674633 /nfs/dbraw/zinc/67/46/33/1385674633.db2.gz QTSURDGKTGEJRW-OALUTQOASA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001318403293 1385674637 /nfs/dbraw/zinc/67/46/37/1385674637.db2.gz QTSURDGKTGEJRW-OALUTQOASA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001318403293 1385674640 /nfs/dbraw/zinc/67/46/40/1385674640.db2.gz QTSURDGKTGEJRW-OALUTQOASA-N 2 1 337.552 3.362 10 30 EGEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001318998353 1385916952 /nfs/dbraw/zinc/91/69/52/1385916952.db2.gz GGHPXWQNQXZADS-PXNSSMCTSA-N 2 1 343.515 3.089 10 30 EGEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001319037363 1385938495 /nfs/dbraw/zinc/93/84/95/1385938495.db2.gz DHRKBTHCOHTIIL-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001319889465 1386366638 /nfs/dbraw/zinc/36/66/38/1386366638.db2.gz WNAUXJRZSUECDF-UHFFFAOYSA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001320114955 1386522450 /nfs/dbraw/zinc/52/24/50/1386522450.db2.gz NCEHQJXUEMPEPC-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264454 1389372139 /nfs/dbraw/zinc/37/21/39/1389372139.db2.gz YIOANCHMLPXIFN-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480825953 1392963232 /nfs/dbraw/zinc/96/32/32/1392963232.db2.gz LBUVKRQGPLQTTC-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480825953 1392963236 /nfs/dbraw/zinc/96/32/36/1392963236.db2.gz LBUVKRQGPLQTTC-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480825953 1392963239 /nfs/dbraw/zinc/96/32/39/1392963239.db2.gz LBUVKRQGPLQTTC-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001484388810 1395356895 /nfs/dbraw/zinc/35/68/95/1395356895.db2.gz LNVSAARQDVLQJB-OUUBHVDSSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001484388810 1395356898 /nfs/dbraw/zinc/35/68/98/1395356898.db2.gz LNVSAARQDVLQJB-OUUBHVDSSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001484388810 1395356905 /nfs/dbraw/zinc/35/69/05/1395356905.db2.gz LNVSAARQDVLQJB-OUUBHVDSSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505398856 1396286256 /nfs/dbraw/zinc/28/62/56/1396286256.db2.gz XWAAPBLMWAYSNG-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001505398856 1396286258 /nfs/dbraw/zinc/28/62/58/1396286258.db2.gz XWAAPBLMWAYSNG-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001505398856 1396286261 /nfs/dbraw/zinc/28/62/61/1396286261.db2.gz XWAAPBLMWAYSNG-QUCCMNQESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493130879 1396337036 /nfs/dbraw/zinc/33/70/36/1396337036.db2.gz QZMTVXPGNZBHLE-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493130879 1396337037 /nfs/dbraw/zinc/33/70/37/1396337037.db2.gz QZMTVXPGNZBHLE-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001493130879 1396337038 /nfs/dbraw/zinc/33/70/38/1396337038.db2.gz QZMTVXPGNZBHLE-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001496321729 1396648756 /nfs/dbraw/zinc/64/87/56/1396648756.db2.gz WVXMTPCZKFGDMO-SFHVURJKSA-N 2 1 337.552 3.195 10 30 EGEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCCCC)C1 ZINC001689262506 1396995900 /nfs/dbraw/zinc/99/59/00/1396995900.db2.gz SBTZARQKIHHBIF-UXHICEINSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCCCC)C1 ZINC001689262506 1396995901 /nfs/dbraw/zinc/99/59/01/1396995901.db2.gz SBTZARQKIHHBIF-UXHICEINSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690126879 1404320835 /nfs/dbraw/zinc/32/08/35/1404320835.db2.gz XOMSQAKYGFOADH-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690732840 1404701551 /nfs/dbraw/zinc/70/15/51/1404701551.db2.gz QVAWCGCYQUUJEH-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001691667587 1405401294 /nfs/dbraw/zinc/40/12/94/1405401294.db2.gz VLLZWKKCGUJFOU-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280743 1405917694 /nfs/dbraw/zinc/91/76/94/1405917694.db2.gz CKULQKJVORGDQN-QRVBRYPASA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280743 1405917701 /nfs/dbraw/zinc/91/77/01/1405917701.db2.gz CKULQKJVORGDQN-QRVBRYPASA-N 2 1 349.563 3.099 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692280743 1405917704 /nfs/dbraw/zinc/91/77/04/1405917704.db2.gz CKULQKJVORGDQN-QRVBRYPASA-N 2 1 349.563 3.099 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001698577183 1406186360 /nfs/dbraw/zinc/18/63/60/1406186360.db2.gz OEPSKQNQNXBPEL-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001698577183 1406186361 /nfs/dbraw/zinc/18/63/61/1406186361.db2.gz OEPSKQNQNXBPEL-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577183 1406186363 /nfs/dbraw/zinc/18/63/63/1406186363.db2.gz OEPSKQNQNXBPEL-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001698577183 1406186367 /nfs/dbraw/zinc/18/63/67/1406186367.db2.gz OEPSKQNQNXBPEL-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699507474 1412895312 /nfs/dbraw/zinc/89/53/12/1412895312.db2.gz SMMYZXMNAYMGNX-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001699681965 1413076025 /nfs/dbraw/zinc/07/60/25/1413076025.db2.gz DKSVQODJZYVUEX-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001699681965 1413076031 /nfs/dbraw/zinc/07/60/31/1413076031.db2.gz DKSVQODJZYVUEX-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700200057 1413643320 /nfs/dbraw/zinc/64/33/20/1413643320.db2.gz DNKSIKZMQDBJEM-GOSISDBHSA-N 2 1 335.536 3.023 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293609 1413751326 /nfs/dbraw/zinc/75/13/26/1413751326.db2.gz UFPARILCWQAONV-QZTJIDSGSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001700436648 1414003864 /nfs/dbraw/zinc/00/38/64/1414003864.db2.gz KSKSUFREXKQPOY-YXWAVELNSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713057190 1417611646 /nfs/dbraw/zinc/61/16/46/1417611646.db2.gz FBJLWZHXDKRZDL-HXUWFJFHSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001713101342 1417654752 /nfs/dbraw/zinc/65/47/52/1417654752.db2.gz RQTDMPXBOYOKON-QUCCMNQESA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713134289 1417712404 /nfs/dbraw/zinc/71/24/04/1417712404.db2.gz KXVLCWIHLMJANE-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184995 1417760602 /nfs/dbraw/zinc/76/06/02/1417760602.db2.gz VLFQMBDSUDVMFP-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713217129 1417794690 /nfs/dbraw/zinc/79/46/90/1417794690.db2.gz VINALXWQQDJPDF-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713217129 1417794692 /nfs/dbraw/zinc/79/46/92/1417794692.db2.gz VINALXWQQDJPDF-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713217129 1417794695 /nfs/dbraw/zinc/79/46/95/1417794695.db2.gz VINALXWQQDJPDF-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713252464 1417844796 /nfs/dbraw/zinc/84/47/96/1417844796.db2.gz ZOWOSKUCAXESQS-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713252464 1417844799 /nfs/dbraw/zinc/84/47/99/1417844799.db2.gz ZOWOSKUCAXESQS-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713252464 1417844801 /nfs/dbraw/zinc/84/48/01/1417844801.db2.gz ZOWOSKUCAXESQS-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714036283 1418825512 /nfs/dbraw/zinc/82/55/12/1418825512.db2.gz RPSGNFPVABCIOW-MSOLQXFVSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001714036283 1418825514 /nfs/dbraw/zinc/82/55/14/1418825514.db2.gz RPSGNFPVABCIOW-MSOLQXFVSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622133 1419389741 /nfs/dbraw/zinc/38/97/41/1419389741.db2.gz KVPUPXOYCVFBPX-YLJYHZDGSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001714915904 1419667186 /nfs/dbraw/zinc/66/71/86/1419667186.db2.gz XSVSVXDGGULRKC-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001714915904 1419667189 /nfs/dbraw/zinc/66/71/89/1419667189.db2.gz XSVSVXDGGULRKC-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001714915904 1419667191 /nfs/dbraw/zinc/66/71/91/1419667191.db2.gz XSVSVXDGGULRKC-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001715400820 1420099564 /nfs/dbraw/zinc/09/95/64/1420099564.db2.gz DWKMZAMHCIGIGK-UXHICEINSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478389 1420693778 /nfs/dbraw/zinc/69/37/78/1420693778.db2.gz PZQFDCLGLMUSOU-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716478389 1420693780 /nfs/dbraw/zinc/69/37/80/1420693780.db2.gz PZQFDCLGLMUSOU-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716478389 1420693783 /nfs/dbraw/zinc/69/37/83/1420693783.db2.gz PZQFDCLGLMUSOU-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763724 1420910282 /nfs/dbraw/zinc/91/02/82/1420910282.db2.gz GLEZVUQDSWRLAC-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763726 1420910643 /nfs/dbraw/zinc/91/06/43/1420910643.db2.gz GLEZVUQDSWRLAC-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001716766173 1420911923 /nfs/dbraw/zinc/91/19/23/1420911923.db2.gz VAOYQTLSRYDNLB-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001716888043 1421011495 /nfs/dbraw/zinc/01/14/95/1421011495.db2.gz JHMUORQEJSAQNK-UHFFFAOYSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001717115469 1421119162 /nfs/dbraw/zinc/11/91/62/1421119162.db2.gz MJZHSIAVQRZVOK-XLIONFOSSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717446552 1421376251 /nfs/dbraw/zinc/37/62/51/1421376251.db2.gz FKJBZJHVRRLAMY-VIQWUECVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001717901491 1421697881 /nfs/dbraw/zinc/69/78/81/1421697881.db2.gz DDQSEXLUBQJADQ-WMZOPIPTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001723647375 1424511252 /nfs/dbraw/zinc/51/12/52/1424511252.db2.gz JTBBKAHEKRIZJV-UHFFFAOYSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001724863965 1425247185 /nfs/dbraw/zinc/24/71/85/1425247185.db2.gz RGFCIWYXPPDHIG-KDURUIRLSA-N 2 1 347.547 3.137 10 30 EGEEMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001724863965 1425247189 /nfs/dbraw/zinc/24/71/89/1425247189.db2.gz RGFCIWYXPPDHIG-KDURUIRLSA-N 2 1 347.547 3.137 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725237911 1425830941 /nfs/dbraw/zinc/83/09/41/1425830941.db2.gz ALBQYWCPSFZTJX-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725237911 1425830949 /nfs/dbraw/zinc/83/09/49/1425830949.db2.gz ALBQYWCPSFZTJX-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725237911 1425830955 /nfs/dbraw/zinc/83/09/55/1425830955.db2.gz ALBQYWCPSFZTJX-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725790670 1426476394 /nfs/dbraw/zinc/47/63/94/1426476394.db2.gz INVIKIDJPBOLGQ-ROUUACIJSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731419003 1427394130 /nfs/dbraw/zinc/39/41/30/1427394130.db2.gz NKZFSLSTRPFCBJ-IBGZPJMESA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731541503 1427550104 /nfs/dbraw/zinc/55/01/04/1427550104.db2.gz CBVRRMSFRYREBX-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001731551581 1427573044 /nfs/dbraw/zinc/57/30/44/1427573044.db2.gz LODRHKYNHFAHHQ-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551581 1427573047 /nfs/dbraw/zinc/57/30/47/1427573047.db2.gz LODRHKYNHFAHHQ-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551581 1427573052 /nfs/dbraw/zinc/57/30/52/1427573052.db2.gz LODRHKYNHFAHHQ-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715593 1427779306 /nfs/dbraw/zinc/77/93/06/1427779306.db2.gz QMXIZBOXXVOPJR-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731761645 1427866035 /nfs/dbraw/zinc/86/60/35/1427866035.db2.gz WDPSCCOIFJMIDV-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607886 1429824617 /nfs/dbraw/zinc/82/46/17/1429824617.db2.gz XKMWEGAXZZFXQO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001733717054 1429936010 /nfs/dbraw/zinc/93/60/10/1429936010.db2.gz VNOHPUQSPINOSG-GOSISDBHSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001733772033 1430006869 /nfs/dbraw/zinc/00/68/69/1430006869.db2.gz ZJMDNGASKAXBMO-HXUWFJFHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733920371 1437734382 /nfs/dbraw/zinc/73/43/82/1437734382.db2.gz GPXSKBQJVGTSMY-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001734104503 1437890340 /nfs/dbraw/zinc/89/03/40/1437890340.db2.gz VXMLESLLKXEFFE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001734104503 1437890342 /nfs/dbraw/zinc/89/03/42/1437890342.db2.gz VXMLESLLKXEFFE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001734104503 1437890344 /nfs/dbraw/zinc/89/03/44/1437890344.db2.gz VXMLESLLKXEFFE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734603614 1438184494 /nfs/dbraw/zinc/18/44/94/1438184494.db2.gz IDUPCIVNUXMYLT-SFHVURJKSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734605238 1438185417 /nfs/dbraw/zinc/18/54/17/1438185417.db2.gz YBSNUJJMDBQOLB-ZWKOTPCHSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638958 454724973 /nfs/dbraw/zinc/72/49/73/454724973.db2.gz OTQAYSUJKBYDCJ-QAPCUYQASA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638958 454724978 /nfs/dbraw/zinc/72/49/78/454724978.db2.gz OTQAYSUJKBYDCJ-QAPCUYQASA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638958 454724983 /nfs/dbraw/zinc/72/49/83/454724983.db2.gz OTQAYSUJKBYDCJ-QAPCUYQASA-N 2 1 332.488 3.291 10 30 EGEEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291857 455940705 /nfs/dbraw/zinc/94/07/05/455940705.db2.gz FKAPKDINTJDQNM-SFHVURJKSA-N 2 1 338.430 3.046 10 30 EGEEMP C[NH+](C)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCOCC1 ZINC000271055823 456114284 /nfs/dbraw/zinc/11/42/84/456114284.db2.gz CZNCQFUTBNLMCJ-UHFFFAOYSA-N 2 1 341.499 3.091 10 30 EGEEMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000353410304 456683768 /nfs/dbraw/zinc/68/37/68/456683768.db2.gz GYMSLSAVZBGKKB-QFIPXVFZSA-N 2 1 347.462 3.168 10 30 EGEEMP C[N@H+]1CCCC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994307 460120612 /nfs/dbraw/zinc/12/06/12/460120612.db2.gz JJTQRUVKYZNDJU-CQSZACIVSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994307 460120619 /nfs/dbraw/zinc/12/06/19/460120619.db2.gz JJTQRUVKYZNDJU-CQSZACIVSA-N 2 1 325.378 3.399 10 30 EGEEMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994307 460120625 /nfs/dbraw/zinc/12/06/25/460120625.db2.gz JJTQRUVKYZNDJU-CQSZACIVSA-N 2 1 325.378 3.399 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480644 461728235 /nfs/dbraw/zinc/72/82/35/461728235.db2.gz WGBBHQJPAFUGCL-MSOLQXFVSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480644 461728241 /nfs/dbraw/zinc/72/82/41/461728241.db2.gz WGBBHQJPAFUGCL-MSOLQXFVSA-N 2 1 330.472 3.093 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334865 1328739821 /nfs/dbraw/zinc/73/98/21/1328739821.db2.gz SITAVKPILNVGOC-VQTJNVASSA-N 2 1 326.484 3.202 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334865 1328739824 /nfs/dbraw/zinc/73/98/24/1328739824.db2.gz SITAVKPILNVGOC-VQTJNVASSA-N 2 1 326.484 3.202 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334862 1328739937 /nfs/dbraw/zinc/73/99/37/1328739937.db2.gz SITAVKPILNVGOC-UXHICEINSA-N 2 1 326.484 3.202 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858334862 1328739941 /nfs/dbraw/zinc/73/99/41/1328739941.db2.gz SITAVKPILNVGOC-UXHICEINSA-N 2 1 326.484 3.202 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857781 1331223698 /nfs/dbraw/zinc/22/36/98/1331223698.db2.gz CZROQHYSFAHNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857781 1331223699 /nfs/dbraw/zinc/22/36/99/1331223699.db2.gz CZROQHYSFAHNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857781 1331223701 /nfs/dbraw/zinc/22/37/01/1331223701.db2.gz CZROQHYSFAHNKO-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971825 1331281047 /nfs/dbraw/zinc/28/10/47/1331281047.db2.gz DDMSNUFJLKXMOA-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971825 1331281049 /nfs/dbraw/zinc/28/10/49/1331281049.db2.gz DDMSNUFJLKXMOA-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971825 1331281052 /nfs/dbraw/zinc/28/10/52/1331281052.db2.gz DDMSNUFJLKXMOA-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001327298300 1388489632 /nfs/dbraw/zinc/48/96/32/1388489632.db2.gz FZDNLEGKPJGFDO-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298300 1388489634 /nfs/dbraw/zinc/48/96/34/1388489634.db2.gz FZDNLEGKPJGFDO-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298300 1388489636 /nfs/dbraw/zinc/48/96/36/1388489636.db2.gz FZDNLEGKPJGFDO-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563733 1377457714 /nfs/dbraw/zinc/45/77/14/1377457714.db2.gz DSBVPPUIHDCSER-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267563733 1377457717 /nfs/dbraw/zinc/45/77/17/1377457717.db2.gz DSBVPPUIHDCSER-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267563733 1377457721 /nfs/dbraw/zinc/45/77/21/1377457721.db2.gz DSBVPPUIHDCSER-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001269871170 1377586812 /nfs/dbraw/zinc/58/68/12/1377586812.db2.gz QDKWPWCWSMNTFF-HXUWFJFHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001327478699 1388531071 /nfs/dbraw/zinc/53/10/71/1388531071.db2.gz LWRXFTUCYNPAHR-OALUTQOASA-N 2 1 347.547 3.330 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC001284070918 1379432679 /nfs/dbraw/zinc/43/26/79/1379432679.db2.gz KUSPNLGWCBFOEW-AZUAARDMSA-N 2 1 346.519 3.344 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284619203 1380018721 /nfs/dbraw/zinc/01/87/21/1380018721.db2.gz QKXKQVOWIQHIDO-RBUKOAKNSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781031 1388859172 /nfs/dbraw/zinc/85/91/72/1388859172.db2.gz QFRAXPIGLPMOCH-AZUAARDMSA-N 2 1 349.563 3.384 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001316771119 1384570057 /nfs/dbraw/zinc/57/00/57/1384570057.db2.gz FIVFFKWGIJHHJT-IBGZPJMESA-N 2 1 346.519 3.299 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001318929872 1385885509 /nfs/dbraw/zinc/88/55/09/1385885509.db2.gz UEULAXGAHFSGPX-NQIIRXRSSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001319352372 1386075628 /nfs/dbraw/zinc/07/56/28/1386075628.db2.gz SWQOXWVURFWUEK-SFHVURJKSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001698627801 1406270304 /nfs/dbraw/zinc/27/03/04/1406270304.db2.gz VYNQXTNCCCRWJA-ROUUACIJSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001698683334 1406330564 /nfs/dbraw/zinc/33/05/64/1406330564.db2.gz OCNXTRJSOUKNBL-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCc1cc(OC)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001337806589 1389448652 /nfs/dbraw/zinc/44/86/52/1389448652.db2.gz UMFUNYZVFOQZES-JENIJYKNSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189858 1392619235 /nfs/dbraw/zinc/61/92/35/1392619235.db2.gz TUVCNVYVKMBJJY-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480736988 1392903259 /nfs/dbraw/zinc/90/32/59/1392903259.db2.gz KHYCWTLOTAOLCW-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736988 1392903263 /nfs/dbraw/zinc/90/32/63/1392903263.db2.gz KHYCWTLOTAOLCW-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736988 1392903266 /nfs/dbraw/zinc/90/32/66/1392903266.db2.gz KHYCWTLOTAOLCW-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001481845018 1394555024 /nfs/dbraw/zinc/55/50/24/1394555024.db2.gz YNTHHXQZCLXHHG-MJGOQNOKSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001481903584 1394588118 /nfs/dbraw/zinc/58/81/18/1394588118.db2.gz AYBOUAREZIBANU-GOSISDBHSA-N 2 1 335.536 3.093 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001482000124 1394659293 /nfs/dbraw/zinc/65/92/93/1394659293.db2.gz GUFOBAIQYVWVKD-PMACEKPBSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484170353 1395309230 /nfs/dbraw/zinc/30/92/30/1395309230.db2.gz ONKDTFWKRGUPJM-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170353 1395309235 /nfs/dbraw/zinc/30/92/35/1395309235.db2.gz ONKDTFWKRGUPJM-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170353 1395309241 /nfs/dbraw/zinc/30/92/41/1395309241.db2.gz ONKDTFWKRGUPJM-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001484829369 1395567496 /nfs/dbraw/zinc/56/74/96/1395567496.db2.gz IJZIAKRPPYIQAE-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001485459038 1395931890 /nfs/dbraw/zinc/93/18/90/1395931890.db2.gz KNSZRKZSKAGPBN-HDICACEKSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001495963831 1396580477 /nfs/dbraw/zinc/58/04/77/1396580477.db2.gz SGQCYSIQNUPILV-MSOLQXFVSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496398154 1396687764 /nfs/dbraw/zinc/68/77/64/1396687764.db2.gz DUPRSKNLDXFJKV-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001689271992 1397008434 /nfs/dbraw/zinc/00/84/34/1397008434.db2.gz VEVBWQWSJJNUNC-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001690448668 1404573096 /nfs/dbraw/zinc/57/30/96/1404573096.db2.gz OLSAQLRTBXVHGU-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001690448668 1404573098 /nfs/dbraw/zinc/57/30/98/1404573098.db2.gz OLSAQLRTBXVHGU-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001690448668 1404573102 /nfs/dbraw/zinc/57/31/02/1404573102.db2.gz OLSAQLRTBXVHGU-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001690448668 1404573103 /nfs/dbraw/zinc/57/31/03/1404573103.db2.gz OLSAQLRTBXVHGU-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001691677897 1405411986 /nfs/dbraw/zinc/41/19/86/1405411986.db2.gz JGHRKACTLHSBBM-YLJYHZDGSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001691682882 1405418462 /nfs/dbraw/zinc/41/84/62/1405418462.db2.gz MHVHSBHSJBGEJP-KRWDZBQOSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691745917 1405466352 /nfs/dbraw/zinc/46/63/52/1405466352.db2.gz WISNTFQYAPVNIO-OKYOBFRVSA-N 2 1 335.536 3.088 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813974 1405527865 /nfs/dbraw/zinc/52/78/65/1405527865.db2.gz OTXKIXYEMKVQLT-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813974 1405527867 /nfs/dbraw/zinc/52/78/67/1405527867.db2.gz OTXKIXYEMKVQLT-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691813974 1405527870 /nfs/dbraw/zinc/52/78/70/1405527870.db2.gz OTXKIXYEMKVQLT-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692009169 1405727768 /nfs/dbraw/zinc/72/77/68/1405727768.db2.gz KYJXWXCMGLFOCF-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001692021348 1405739263 /nfs/dbraw/zinc/73/92/63/1405739263.db2.gz YSTBSGNMGLTDBR-HBFSDRIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001692021348 1405739266 /nfs/dbraw/zinc/73/92/66/1405739266.db2.gz YSTBSGNMGLTDBR-HBFSDRIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001692021348 1405739269 /nfs/dbraw/zinc/73/92/69/1405739269.db2.gz YSTBSGNMGLTDBR-HBFSDRIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001692330001 1405948512 /nfs/dbraw/zinc/94/85/12/1405948512.db2.gz RWRIDSHRYBOFGD-GOSISDBHSA-N 2 1 346.519 3.334 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001692384347 1405990245 /nfs/dbraw/zinc/99/02/45/1405990245.db2.gz JSDFHNNQISTKJF-OALUTQOASA-N 2 1 335.536 3.118 10 30 EGEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732109360 1428365233 /nfs/dbraw/zinc/36/52/33/1428365233.db2.gz VPRWUDBTZCEPPL-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732109360 1428365237 /nfs/dbraw/zinc/36/52/37/1428365237.db2.gz VPRWUDBTZCEPPL-FQEVSTJZSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001699977560 1413420790 /nfs/dbraw/zinc/42/07/90/1413420790.db2.gz QAQTUFLJSGDMOV-ACDBMABISA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199159 1413641144 /nfs/dbraw/zinc/64/11/44/1413641144.db2.gz UHBFZMPZSNEKBA-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001707195173 1417240126 /nfs/dbraw/zinc/24/01/26/1417240126.db2.gz JAYBGDQBPAWOEU-IPMKNSEASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001707195173 1417240127 /nfs/dbraw/zinc/24/01/27/1417240127.db2.gz JAYBGDQBPAWOEU-IPMKNSEASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001707195173 1417240128 /nfs/dbraw/zinc/24/01/28/1417240128.db2.gz JAYBGDQBPAWOEU-IPMKNSEASA-N 2 1 337.552 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001707195173 1417240130 /nfs/dbraw/zinc/24/01/30/1417240130.db2.gz JAYBGDQBPAWOEU-IPMKNSEASA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001713144839 1417727726 /nfs/dbraw/zinc/72/77/26/1417727726.db2.gz DLUZFZANXPXMNQ-BGYRXZFFSA-N 2 1 347.547 3.284 10 30 EGEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001713698163 1418453326 /nfs/dbraw/zinc/45/33/26/1418453326.db2.gz MGYUQIOWQOZYRW-UXHICEINSA-N 2 1 343.515 3.227 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729566 1418513094 /nfs/dbraw/zinc/51/30/94/1418513094.db2.gz YNPXEHOYJKQSSU-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713729566 1418513098 /nfs/dbraw/zinc/51/30/98/1418513098.db2.gz YNPXEHOYJKQSSU-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001713729566 1418513103 /nfs/dbraw/zinc/51/31/03/1418513103.db2.gz YNPXEHOYJKQSSU-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001713933119 1418722485 /nfs/dbraw/zinc/72/24/85/1418722485.db2.gz JDEJXKDSEGVCMU-PVAVHDDUSA-N 2 1 347.528 3.063 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001713933119 1418722489 /nfs/dbraw/zinc/72/24/89/1418722489.db2.gz JDEJXKDSEGVCMU-PVAVHDDUSA-N 2 1 347.528 3.063 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001714130254 1418933651 /nfs/dbraw/zinc/93/36/51/1418933651.db2.gz RDTZBKSFZNVMIL-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001714130171 1418933694 /nfs/dbraw/zinc/93/36/94/1418933694.db2.gz YYWQETHWBDKWLM-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001733204313 1429310720 /nfs/dbraw/zinc/31/07/20/1429310720.db2.gz WVOCRIQAJVNAPL-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001714803141 1419516596 /nfs/dbraw/zinc/51/65/96/1419516596.db2.gz KQXPBTDSTTVTMP-MJGOQNOKSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001714867613 1419594994 /nfs/dbraw/zinc/59/49/94/1419594994.db2.gz NEQQPEZEGCNOIR-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714867613 1419594996 /nfs/dbraw/zinc/59/49/96/1419594996.db2.gz NEQQPEZEGCNOIR-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714867613 1419594998 /nfs/dbraw/zinc/59/49/98/1419594998.db2.gz NEQQPEZEGCNOIR-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CCCCCC1 ZINC001733277926 1429444716 /nfs/dbraw/zinc/44/47/16/1429444716.db2.gz IYLGXUKTRQWTCQ-UHFFFAOYSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CCCCCC1 ZINC001733277926 1429444718 /nfs/dbraw/zinc/44/47/18/1429444718.db2.gz IYLGXUKTRQWTCQ-UHFFFAOYSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716884144 1421007895 /nfs/dbraw/zinc/00/78/95/1421007895.db2.gz QTBQVDYTUJHOFO-OALUTQOASA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717034898 1421088676 /nfs/dbraw/zinc/08/86/76/1421088676.db2.gz CUCHBQWUEBRFKN-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717034898 1421088679 /nfs/dbraw/zinc/08/86/79/1421088679.db2.gz CUCHBQWUEBRFKN-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717034898 1421088681 /nfs/dbraw/zinc/08/86/81/1421088681.db2.gz CUCHBQWUEBRFKN-XUVXKRRUSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039291 1421093822 /nfs/dbraw/zinc/09/38/22/1421093822.db2.gz XJDCTALBJMILIP-UXHICEINSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001717313182 1421259190 /nfs/dbraw/zinc/25/91/90/1421259190.db2.gz MWSBWLVPYBASCC-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001733377957 1429561523 /nfs/dbraw/zinc/56/15/23/1429561523.db2.gz ABCFPHQXGBEOCI-PMACEKPBSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001733385641 1429572525 /nfs/dbraw/zinc/57/25/25/1429572525.db2.gz SNKSTJCNCHDASN-PMACEKPBSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1CC ZINC001733518430 1429727888 /nfs/dbraw/zinc/72/78/88/1429727888.db2.gz NNNPPGZHVGUMED-UXHICEINSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001724126352 1424678214 /nfs/dbraw/zinc/67/82/14/1424678214.db2.gz RQANDHWBCQREPN-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001724126352 1424678218 /nfs/dbraw/zinc/67/82/18/1424678218.db2.gz RQANDHWBCQREPN-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001724126352 1424678225 /nfs/dbraw/zinc/67/82/25/1424678225.db2.gz RQANDHWBCQREPN-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724325075 1424812203 /nfs/dbraw/zinc/81/22/03/1424812203.db2.gz UZOFVPGWMJPIHL-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325075 1424812206 /nfs/dbraw/zinc/81/22/06/1424812206.db2.gz UZOFVPGWMJPIHL-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325075 1424812207 /nfs/dbraw/zinc/81/22/07/1424812207.db2.gz UZOFVPGWMJPIHL-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724324485 1424813578 /nfs/dbraw/zinc/81/35/78/1424813578.db2.gz QMWQWXNJMDMJSW-FQEVSTJZSA-N 2 1 347.547 3.047 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652450 1425013212 /nfs/dbraw/zinc/01/32/12/1425013212.db2.gz FPYDAUDSYSAKJR-RBUKOAKNSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001724999278 1425407539 /nfs/dbraw/zinc/40/75/39/1425407539.db2.gz CIZPMWAYCFDJOT-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001725790668 1426476662 /nfs/dbraw/zinc/47/66/62/1426476662.db2.gz INVIKIDJPBOLGQ-MSOLQXFVSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731761644 1427865873 /nfs/dbraw/zinc/86/58/73/1427865873.db2.gz WDPSCCOIFJMIDV-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734099549 1437883756 /nfs/dbraw/zinc/88/37/56/1437883756.db2.gz LZHPOGZJQYPTJP-QZTJIDSGSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734099549 1437883757 /nfs/dbraw/zinc/88/37/57/1437883757.db2.gz LZHPOGZJQYPTJP-QZTJIDSGSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734194999 1437936007 /nfs/dbraw/zinc/93/60/07/1437936007.db2.gz VAISCRJYCIMQRB-XUVXKRRUSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001734289970 1438020317 /nfs/dbraw/zinc/02/03/17/1438020317.db2.gz YGCRRUVAZKMUHJ-RTBURBONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246153908 455437731 /nfs/dbraw/zinc/43/77/31/455437731.db2.gz CLARDIOPLNPVGE-GHTZIAJQSA-N 2 1 327.516 3.137 10 30 EGEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246153908 455437733 /nfs/dbraw/zinc/43/77/33/455437733.db2.gz CLARDIOPLNPVGE-GHTZIAJQSA-N 2 1 327.516 3.137 10 30 EGEEMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000178746821 454971700 /nfs/dbraw/zinc/97/17/00/454971700.db2.gz NZVBJXAPBVQESF-GOSISDBHSA-N 2 1 340.471 3.143 10 30 EGEEMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178746821 454971703 /nfs/dbraw/zinc/97/17/03/454971703.db2.gz NZVBJXAPBVQESF-GOSISDBHSA-N 2 1 340.471 3.143 10 30 EGEEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124722 457467903 /nfs/dbraw/zinc/46/79/03/457467903.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 1 325.378 3.492 10 30 EGEEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000356124722 457467909 /nfs/dbraw/zinc/46/79/09/457467909.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 1 325.378 3.492 10 30 EGEEMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599350959 460235581 /nfs/dbraw/zinc/23/55/81/460235581.db2.gz CKWOLJOCSWYGLM-UHFFFAOYSA-N 2 1 343.515 3.437 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599372859 460241437 /nfs/dbraw/zinc/24/14/37/460241437.db2.gz NZOBLUKVVHTQKU-FXAWDEMLSA-N 2 1 329.488 3.093 10 30 EGEEMP C#CCCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878606428 1300105106 /nfs/dbraw/zinc/10/51/06/1300105106.db2.gz MRHMTOKBVLMKGW-JOCHJYFZSA-N 2 1 339.527 3.072 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858420709 1328757976 /nfs/dbraw/zinc/75/79/76/1328757976.db2.gz IFPFYHNLIXQPAP-LBPRGKRZSA-N 2 1 347.812 3.230 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858420709 1328757980 /nfs/dbraw/zinc/75/79/80/1328757980.db2.gz IFPFYHNLIXQPAP-LBPRGKRZSA-N 2 1 347.812 3.230 10 30 EGEEMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000859211819 1328947090 /nfs/dbraw/zinc/94/70/90/1328947090.db2.gz AOZPJCQHLOBVGF-UHFFFAOYSA-N 2 1 338.411 3.160 10 30 EGEEMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000859211819 1328947092 /nfs/dbraw/zinc/94/70/92/1328947092.db2.gz AOZPJCQHLOBVGF-UHFFFAOYSA-N 2 1 338.411 3.160 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236798 1331401338 /nfs/dbraw/zinc/40/13/38/1331401338.db2.gz ASSYROQRFBJTBI-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236798 1331401344 /nfs/dbraw/zinc/40/13/44/1331401344.db2.gz ASSYROQRFBJTBI-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236799 1331401720 /nfs/dbraw/zinc/40/17/20/1331401720.db2.gz ASSYROQRFBJTBI-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236799 1331401722 /nfs/dbraw/zinc/40/17/22/1331401722.db2.gz ASSYROQRFBJTBI-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001323720984 1387429922 /nfs/dbraw/zinc/42/99/22/1387429922.db2.gz ACPRNDGLNRIGPS-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001324740094 1387758790 /nfs/dbraw/zinc/75/87/90/1387758790.db2.gz FWZTWRSPKBTKJD-PZJWPPBQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944428 1387841037 /nfs/dbraw/zinc/84/10/37/1387841037.db2.gz QYTSZESZRYNSIC-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001324944428 1387841044 /nfs/dbraw/zinc/84/10/44/1387841044.db2.gz QYTSZESZRYNSIC-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324944428 1387841051 /nfs/dbraw/zinc/84/10/51/1387841051.db2.gz QYTSZESZRYNSIC-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877201 1368509329 /nfs/dbraw/zinc/50/93/29/1368509329.db2.gz TURPAPXKLZTKSE-OAQYLSRUSA-N 2 1 346.434 3.218 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915074 1388079414 /nfs/dbraw/zinc/07/94/14/1388079414.db2.gz CJGYKAHYHHCXHV-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915074 1388079417 /nfs/dbraw/zinc/07/94/17/1388079417.db2.gz CJGYKAHYHHCXHV-RBUKOAKNSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001327299953 1388491830 /nfs/dbraw/zinc/49/18/30/1388491830.db2.gz RMBMRNPFYKZDLZ-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299953 1388491831 /nfs/dbraw/zinc/49/18/31/1388491831.db2.gz RMBMRNPFYKZDLZ-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299953 1388491833 /nfs/dbraw/zinc/49/18/33/1388491833.db2.gz RMBMRNPFYKZDLZ-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360398 1379705139 /nfs/dbraw/zinc/70/51/39/1379705139.db2.gz YCMUIFYOYACMHU-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001328467366 1388754605 /nfs/dbraw/zinc/75/46/05/1388754605.db2.gz DSPCBAXJDZZXBC-FXAWDEMLSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001328503748 1388766659 /nfs/dbraw/zinc/76/66/59/1388766659.db2.gz USKBNFULQVSCDE-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001316702432 1384530207 /nfs/dbraw/zinc/53/02/07/1384530207.db2.gz CSWVAEMTGXGCIL-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316768846 1384568536 /nfs/dbraw/zinc/56/85/36/1384568536.db2.gz BGYBZJAJVXDFJY-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001317085050 1384847613 /nfs/dbraw/zinc/84/76/13/1384847613.db2.gz DMOKYPVQOSDBTQ-VJANTYMQSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001317876603 1385555627 /nfs/dbraw/zinc/55/56/27/1385555627.db2.gz KMALHUASSOPUMO-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001317876603 1385555631 /nfs/dbraw/zinc/55/56/31/1385555631.db2.gz KMALHUASSOPUMO-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001317876603 1385555636 /nfs/dbraw/zinc/55/56/36/1385555636.db2.gz KMALHUASSOPUMO-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001318742188 1385848710 /nfs/dbraw/zinc/84/87/10/1385848710.db2.gz AMRJDYWGMLKJTD-FXAWDEMLSA-N 2 1 337.552 3.195 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001319651185 1386233477 /nfs/dbraw/zinc/23/34/77/1386233477.db2.gz LCGVVFOCAXSIIS-RBUKOAKNSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001319876177 1386353145 /nfs/dbraw/zinc/35/31/45/1386353145.db2.gz IMEUMMBAVQCAQK-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001319876177 1386353146 /nfs/dbraw/zinc/35/31/46/1386353146.db2.gz IMEUMMBAVQCAQK-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001319876177 1386353147 /nfs/dbraw/zinc/35/31/47/1386353147.db2.gz IMEUMMBAVQCAQK-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001319915109 1386387392 /nfs/dbraw/zinc/38/73/92/1386387392.db2.gz HYNJFMGAVVZYJY-ICSRJNTNSA-N 2 1 349.563 3.338 10 30 EGEEMP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[C@H](SC)C2)C1 ZINC001321742955 1386972327 /nfs/dbraw/zinc/97/23/27/1386972327.db2.gz JOWZFHOHZPYGBO-XLAORIBOSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@H]([N@@H+](C)CC#CC[NH+](C)[C@H]2CC[C@H](SC)C2)C1 ZINC001321742955 1386972331 /nfs/dbraw/zinc/97/23/31/1386972331.db2.gz JOWZFHOHZPYGBO-XLAORIBOSA-N 2 1 340.602 3.422 10 30 EGEEMP CS[C@@H]1CC[C@H]([N@H+](C)CC#CC[NH+](C)[C@H]2CC[C@H](SC)C2)C1 ZINC001321742955 1386972340 /nfs/dbraw/zinc/97/23/40/1386972340.db2.gz JOWZFHOHZPYGBO-XLAORIBOSA-N 2 1 340.602 3.422 10 30 EGEEMP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001333181444 1390262813 /nfs/dbraw/zinc/26/28/13/1390262813.db2.gz ZWDGVVWONJXIBH-UHFFFAOYSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1O ZINC001333840554 1390419621 /nfs/dbraw/zinc/41/96/21/1390419621.db2.gz HJQAPPSFZVVDCN-GBESFXJTSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745188 1392359930 /nfs/dbraw/zinc/35/99/30/1392359930.db2.gz JGHZHGZZOVAVKC-CEXWTWQISA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745188 1392359935 /nfs/dbraw/zinc/35/99/35/1392359935.db2.gz JGHZHGZZOVAVKC-CEXWTWQISA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745188 1392359937 /nfs/dbraw/zinc/35/99/37/1392359937.db2.gz JGHZHGZZOVAVKC-CEXWTWQISA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479746276 1392362737 /nfs/dbraw/zinc/36/27/37/1392362737.db2.gz SDZWZWOQMQMJTE-IBGZPJMESA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001479747626 1392364516 /nfs/dbraw/zinc/36/45/16/1392364516.db2.gz CMAAPUXVIWDBBO-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747626 1392364519 /nfs/dbraw/zinc/36/45/19/1392364519.db2.gz CMAAPUXVIWDBBO-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747626 1392364523 /nfs/dbraw/zinc/36/45/23/1392364523.db2.gz CMAAPUXVIWDBBO-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001479887391 1392459066 /nfs/dbraw/zinc/45/90/66/1392459066.db2.gz JZZGRKSCSNAZEO-QGZVFWFLSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254538 1392639630 /nfs/dbraw/zinc/63/96/30/1392639630.db2.gz DHQNWHMFHMBNNE-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480254538 1392639631 /nfs/dbraw/zinc/63/96/31/1392639631.db2.gz DHQNWHMFHMBNNE-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480254538 1392639632 /nfs/dbraw/zinc/63/96/32/1392639632.db2.gz DHQNWHMFHMBNNE-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480266204 1392650672 /nfs/dbraw/zinc/65/06/72/1392650672.db2.gz QXCOSGJRZVVBEV-IBGZPJMESA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272710 1392655990 /nfs/dbraw/zinc/65/59/90/1392655990.db2.gz YJUGDICZZDRDRS-VQTJNVASSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001480404988 1392742517 /nfs/dbraw/zinc/74/25/17/1392742517.db2.gz KSEFKWRWTVZDKU-ACBHZAAOSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480826233 1392964573 /nfs/dbraw/zinc/96/45/73/1392964573.db2.gz HUFKAHGUYILVAO-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001481999834 1394659272 /nfs/dbraw/zinc/65/92/72/1394659272.db2.gz XDRDAKNLFAXQMY-HXUWFJFHSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001484021976 1395194136 /nfs/dbraw/zinc/19/41/36/1395194136.db2.gz GVLZNFWMXZKSAT-PZJWPPBQSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021976 1395194138 /nfs/dbraw/zinc/19/41/38/1395194138.db2.gz GVLZNFWMXZKSAT-PZJWPPBQSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021976 1395194145 /nfs/dbraw/zinc/19/41/45/1395194145.db2.gz GVLZNFWMXZKSAT-PZJWPPBQSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001484391666 1395362240 /nfs/dbraw/zinc/36/22/40/1395362240.db2.gz RIKPIEWGSDZCCM-YSTOQKLRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001484391666 1395362245 /nfs/dbraw/zinc/36/22/45/1395362245.db2.gz RIKPIEWGSDZCCM-YSTOQKLRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001484391666 1395362247 /nfs/dbraw/zinc/36/22/47/1395362247.db2.gz RIKPIEWGSDZCCM-YSTOQKLRSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001485436686 1395903847 /nfs/dbraw/zinc/90/38/47/1395903847.db2.gz HRQCZLWMSTXBGI-WOJBJXKFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001485574751 1396043782 /nfs/dbraw/zinc/04/37/82/1396043782.db2.gz XKWAYUMEXNRAHB-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001485574751 1396043788 /nfs/dbraw/zinc/04/37/88/1396043788.db2.gz XKWAYUMEXNRAHB-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001485574751 1396043795 /nfs/dbraw/zinc/04/37/95/1396043795.db2.gz XKWAYUMEXNRAHB-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001485574751 1396043797 /nfs/dbraw/zinc/04/37/97/1396043797.db2.gz XKWAYUMEXNRAHB-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001690732838 1404701360 /nfs/dbraw/zinc/70/13/60/1404701360.db2.gz QVAWCGCYQUUJEH-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814201 1404748886 /nfs/dbraw/zinc/74/88/86/1404748886.db2.gz CAYCLIJRRIBSOA-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690814201 1404748888 /nfs/dbraw/zinc/74/88/88/1404748888.db2.gz CAYCLIJRRIBSOA-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001690814201 1404748889 /nfs/dbraw/zinc/74/88/89/1404748889.db2.gz CAYCLIJRRIBSOA-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690896858 1404806187 /nfs/dbraw/zinc/80/61/87/1404806187.db2.gz JFBLFQKFBWAWBN-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690902349 1404810154 /nfs/dbraw/zinc/81/01/54/1404810154.db2.gz SUZLOVUXOFELFQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690902349 1404810158 /nfs/dbraw/zinc/81/01/58/1404810158.db2.gz SUZLOVUXOFELFQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690902349 1404810161 /nfs/dbraw/zinc/81/01/61/1404810161.db2.gz SUZLOVUXOFELFQ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086607 1405020827 /nfs/dbraw/zinc/02/08/27/1405020827.db2.gz UPYKIKRDTHMYGT-NVXWUHKLSA-N 2 1 340.471 3.192 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001691271247 1405185336 /nfs/dbraw/zinc/18/53/36/1405185336.db2.gz BKUNNJRLQSLUEL-DFQSSKMNSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691745918 1405466221 /nfs/dbraw/zinc/46/62/21/1405466221.db2.gz WISNTFQYAPVNIO-YRXWBPOGSA-N 2 1 335.536 3.088 10 30 EGEEMP CCCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001692007289 1405725647 /nfs/dbraw/zinc/72/56/47/1405725647.db2.gz ZRGYCRHNVCHGMW-IBGZPJMESA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001692007289 1405725650 /nfs/dbraw/zinc/72/56/50/1405725650.db2.gz ZRGYCRHNVCHGMW-IBGZPJMESA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001692007289 1405725656 /nfs/dbraw/zinc/72/56/56/1405725656.db2.gz ZRGYCRHNVCHGMW-IBGZPJMESA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001692195506 1405833907 /nfs/dbraw/zinc/83/39/07/1405833907.db2.gz LUQWNVJSPGDKLZ-GOSISDBHSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001692195506 1405833916 /nfs/dbraw/zinc/83/39/16/1405833916.db2.gz LUQWNVJSPGDKLZ-GOSISDBHSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[N@H+](C)C(C)C)C1 ZINC001732081964 1428337357 /nfs/dbraw/zinc/33/73/57/1428337357.db2.gz KPBPTQHREQOPCA-HXUWFJFHSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[NH+](C)C(C)C)C1 ZINC001732081964 1428337359 /nfs/dbraw/zinc/33/73/59/1428337359.db2.gz KPBPTQHREQOPCA-HXUWFJFHSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[NH+](C)C(C)C)C1 ZINC001732081964 1428337362 /nfs/dbraw/zinc/33/73/62/1428337362.db2.gz KPBPTQHREQOPCA-HXUWFJFHSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001732303270 1428520567 /nfs/dbraw/zinc/52/05/67/1428520567.db2.gz MKOYZUWXZLEWCN-HDICACEKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001732322835 1428531980 /nfs/dbraw/zinc/53/19/80/1428531980.db2.gz FFEIGZMNIFXOAS-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001700340790 1413821984 /nfs/dbraw/zinc/82/19/84/1413821984.db2.gz BUKCWFPRAWNNDJ-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700340790 1413821992 /nfs/dbraw/zinc/82/19/92/1413821992.db2.gz BUKCWFPRAWNNDJ-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001700340790 1413821995 /nfs/dbraw/zinc/82/19/95/1413821995.db2.gz BUKCWFPRAWNNDJ-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001700443250 1414016357 /nfs/dbraw/zinc/01/63/57/1414016357.db2.gz YQRHCVHZAFXVNS-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001701012858 1414673764 /nfs/dbraw/zinc/67/37/64/1414673764.db2.gz BOOLMAAXTZOIIR-ICSRJNTNSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707046990 1417158864 /nfs/dbraw/zinc/15/88/64/1417158864.db2.gz AOXNGBHAJQDBIX-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001707046990 1417158865 /nfs/dbraw/zinc/15/88/65/1417158865.db2.gz AOXNGBHAJQDBIX-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001707046990 1417158869 /nfs/dbraw/zinc/15/88/69/1417158869.db2.gz AOXNGBHAJQDBIX-GBESFXJTSA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001707258615 1417268461 /nfs/dbraw/zinc/26/84/61/1417268461.db2.gz LEQOWTRBPXSIID-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001712999935 1417552811 /nfs/dbraw/zinc/55/28/11/1417552811.db2.gz PDXDUKOISRJDOM-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001713095881 1417645231 /nfs/dbraw/zinc/64/52/31/1417645231.db2.gz URLNGDMJRSOPKB-LJQANCHMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713133910 1417711484 /nfs/dbraw/zinc/71/14/84/1417711484.db2.gz CMLLIEITYIQOJO-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133910 1417711488 /nfs/dbraw/zinc/71/14/88/1417711488.db2.gz CMLLIEITYIQOJO-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133910 1417711490 /nfs/dbraw/zinc/71/14/90/1417711490.db2.gz CMLLIEITYIQOJO-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713199359 1417770717 /nfs/dbraw/zinc/77/07/17/1417770717.db2.gz ANNRNHDNZMNRKZ-FTEYMNFISA-N 2 1 347.547 3.375 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713251479 1417842169 /nfs/dbraw/zinc/84/21/69/1417842169.db2.gz IUVBOCBJNVIWDN-GUDVDZBRSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713251479 1417842174 /nfs/dbraw/zinc/84/21/74/1417842174.db2.gz IUVBOCBJNVIWDN-GUDVDZBRSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713251479 1417842180 /nfs/dbraw/zinc/84/21/80/1417842180.db2.gz IUVBOCBJNVIWDN-GUDVDZBRSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001713256203 1417855500 /nfs/dbraw/zinc/85/55/00/1417855500.db2.gz BRUUKEGXXIAUFO-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001713256203 1417855504 /nfs/dbraw/zinc/85/55/04/1417855504.db2.gz BRUUKEGXXIAUFO-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001713256203 1417855511 /nfs/dbraw/zinc/85/55/11/1417855511.db2.gz BRUUKEGXXIAUFO-CTNGQTDRSA-N 2 1 349.563 3.413 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713680436 1418432310 /nfs/dbraw/zinc/43/23/10/1418432310.db2.gz LLIDBGBZZGKKDM-AZUAARDMSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729565 1418513345 /nfs/dbraw/zinc/51/33/45/1418513345.db2.gz YNPXEHOYJKQSSU-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713729565 1418513352 /nfs/dbraw/zinc/51/33/52/1418513352.db2.gz YNPXEHOYJKQSSU-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001713729565 1418513357 /nfs/dbraw/zinc/51/33/57/1418513357.db2.gz YNPXEHOYJKQSSU-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714006658 1418786192 /nfs/dbraw/zinc/78/61/92/1418786192.db2.gz OCATYMGKAZYWSU-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714006658 1418786193 /nfs/dbraw/zinc/78/61/93/1418786193.db2.gz OCATYMGKAZYWSU-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714006658 1418786194 /nfs/dbraw/zinc/78/61/94/1418786194.db2.gz OCATYMGKAZYWSU-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001714067786 1418864032 /nfs/dbraw/zinc/86/40/32/1418864032.db2.gz SFUZILRBZBVXEO-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714153642 1418961157 /nfs/dbraw/zinc/96/11/57/1418961157.db2.gz KGPCIBALACXPDQ-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153642 1418961160 /nfs/dbraw/zinc/96/11/60/1418961160.db2.gz KGPCIBALACXPDQ-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714153642 1418961163 /nfs/dbraw/zinc/96/11/63/1418961163.db2.gz KGPCIBALACXPDQ-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001714188840 1418995593 /nfs/dbraw/zinc/99/55/93/1418995593.db2.gz OMJXZVXYIFQKPI-PXNSSMCTSA-N 2 1 346.519 3.237 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001714301603 1419081839 /nfs/dbraw/zinc/08/18/39/1419081839.db2.gz AYWWAZPAPFQERI-FHWLQOOXSA-N 2 1 337.552 3.458 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001733202888 1429308524 /nfs/dbraw/zinc/30/85/24/1429308524.db2.gz WBDJZQCBLDLKLB-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714915389 1419665723 /nfs/dbraw/zinc/66/57/23/1419665723.db2.gz UAVQRNMIUVTMMP-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001715393426 1420090991 /nfs/dbraw/zinc/09/09/91/1420090991.db2.gz ZUHVOAXPLMAYCU-MJGOQNOKSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001715485040 1420164985 /nfs/dbraw/zinc/16/49/85/1420164985.db2.gz OFCSPFAIRJTGQO-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001716053724 1420518137 /nfs/dbraw/zinc/51/81/37/1420518137.db2.gz LLAKYNSBSDUFHX-MOPGFXCFSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001716053724 1420518139 /nfs/dbraw/zinc/51/81/39/1420518139.db2.gz LLAKYNSBSDUFHX-MOPGFXCFSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001716053724 1420518142 /nfs/dbraw/zinc/51/81/42/1420518142.db2.gz LLAKYNSBSDUFHX-MOPGFXCFSA-N 2 1 337.552 3.220 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CCCCCC1 ZINC001733278506 1429446442 /nfs/dbraw/zinc/44/64/42/1429446442.db2.gz RHPDCAICKSMDSX-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCCCCC1 ZINC001733278506 1429446446 /nfs/dbraw/zinc/44/64/46/1429446446.db2.gz RHPDCAICKSMDSX-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCCCCC1 ZINC001733278506 1429446448 /nfs/dbraw/zinc/44/64/48/1429446448.db2.gz RHPDCAICKSMDSX-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716846183 1420973802 /nfs/dbraw/zinc/97/38/02/1420973802.db2.gz KTNIXSRIJXNORH-FQEVSTJZSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846183 1420973805 /nfs/dbraw/zinc/97/38/05/1420973805.db2.gz KTNIXSRIJXNORH-FQEVSTJZSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846183 1420973810 /nfs/dbraw/zinc/97/38/10/1420973810.db2.gz KTNIXSRIJXNORH-FQEVSTJZSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716966206 1421055022 /nfs/dbraw/zinc/05/50/22/1421055022.db2.gz NXMBTELJOGBRIK-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584797 1421511424 /nfs/dbraw/zinc/51/14/24/1421511424.db2.gz CUFBPURMZMCRGW-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584797 1421511426 /nfs/dbraw/zinc/51/14/26/1421511426.db2.gz CUFBPURMZMCRGW-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584797 1421511427 /nfs/dbraw/zinc/51/14/27/1421511427.db2.gz CUFBPURMZMCRGW-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001717702544 1421575766 /nfs/dbraw/zinc/57/57/66/1421575766.db2.gz ZPFHXMOSWYPWAL-QZTJIDSGSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717702544 1421575768 /nfs/dbraw/zinc/57/57/68/1421575768.db2.gz ZPFHXMOSWYPWAL-QZTJIDSGSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001717702544 1421575770 /nfs/dbraw/zinc/57/57/70/1421575770.db2.gz ZPFHXMOSWYPWAL-QZTJIDSGSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001717964812 1421736475 /nfs/dbraw/zinc/73/64/75/1421736475.db2.gz DZLAKXWAUWUGGH-MSOLQXFVSA-N 2 1 337.552 3.195 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001724629743 1424985308 /nfs/dbraw/zinc/98/53/08/1424985308.db2.gz YXYHPECBOLLFEY-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001724629743 1424985310 /nfs/dbraw/zinc/98/53/10/1424985310.db2.gz YXYHPECBOLLFEY-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001724758026 1425128493 /nfs/dbraw/zinc/12/84/93/1425128493.db2.gz DNGMYLXQOPKBRP-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724991873 1425394746 /nfs/dbraw/zinc/39/47/46/1425394746.db2.gz IRLUOLUBHYYWAY-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001724991873 1425394754 /nfs/dbraw/zinc/39/47/54/1425394754.db2.gz IRLUOLUBHYYWAY-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001724991873 1425394757 /nfs/dbraw/zinc/39/47/57/1425394757.db2.gz IRLUOLUBHYYWAY-SJORKVTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001725230532 1425803457 /nfs/dbraw/zinc/80/34/57/1425803457.db2.gz VPOLDILFLZLNOU-ZWKOTPCHSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737671 1426412594 /nfs/dbraw/zinc/41/25/94/1426412594.db2.gz DTMRIQHRENGTPZ-PKOBYXMFSA-N 2 1 349.563 3.338 10 30 EGEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001731351968 1427291481 /nfs/dbraw/zinc/29/14/81/1427291481.db2.gz IPLGHDFGZDUKPD-SFHVURJKSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598367 1429797789 /nfs/dbraw/zinc/79/77/89/1429797789.db2.gz LBKPSIUKEPPZFD-RTBURBONSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001733835769 1430107987 /nfs/dbraw/zinc/10/79/87/1430107987.db2.gz IBQXUPAOQCQGOR-UHFFFAOYSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001733920135 1437733561 /nfs/dbraw/zinc/73/35/61/1437733561.db2.gz WNUBWGRSCYPKDI-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192458 1437933771 /nfs/dbraw/zinc/93/37/71/1437933771.db2.gz FIEOGXREJDHHQT-GBESFXJTSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192458 1437933773 /nfs/dbraw/zinc/93/37/73/1437933773.db2.gz FIEOGXREJDHHQT-GBESFXJTSA-N 2 1 349.563 3.147 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192458 1437933774 /nfs/dbraw/zinc/93/37/74/1437933774.db2.gz FIEOGXREJDHHQT-GBESFXJTSA-N 2 1 349.563 3.147 10 30 EGEEMP C[C@@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[N@H+](C)Cc1ccccc1 ZINC000177562103 323341460 /nfs/dbraw/zinc/34/14/60/323341460.db2.gz ZDVJFAHNGNXOFX-KRWDZBQOSA-N 2 1 347.466 3.206 10 30 EGEEMP C[C@@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[N@@H+](C)Cc1ccccc1 ZINC000177562103 323341465 /nfs/dbraw/zinc/34/14/65/323341465.db2.gz ZDVJFAHNGNXOFX-KRWDZBQOSA-N 2 1 347.466 3.206 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718370 460577377 /nfs/dbraw/zinc/57/73/77/460577377.db2.gz WXXNPROLOCZVCQ-YLJYHZDGSA-N 2 1 341.499 3.205 10 30 EGEEMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000340423990 456452163 /nfs/dbraw/zinc/45/21/63/456452163.db2.gz AOBVIJQGQKDYBG-UHFFFAOYSA-N 2 1 330.472 3.367 10 30 EGEEMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C#N)cs1 ZINC000356429106 457621527 /nfs/dbraw/zinc/62/15/27/457621527.db2.gz AIIHTGMTVKSPSO-UHFFFAOYSA-N 2 1 341.484 3.148 10 30 EGEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C#N)cs1 ZINC000356429106 457621531 /nfs/dbraw/zinc/62/15/31/457621531.db2.gz AIIHTGMTVKSPSO-UHFFFAOYSA-N 2 1 341.484 3.148 10 30 EGEEMP CSC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000429308384 458314877 /nfs/dbraw/zinc/31/48/77/458314877.db2.gz QBZTZEBTRAYMAK-ROUUACIJSA-N 2 1 340.602 3.140 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598603099 459960622 /nfs/dbraw/zinc/96/06/22/459960622.db2.gz SAKYLAOEGYQETG-RDTXWAMCSA-N 2 1 326.444 3.132 10 30 EGEEMP C=CCCC(C)(C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638430265 461425784 /nfs/dbraw/zinc/42/57/84/461425784.db2.gz FKBATAYGERZLJY-UHFFFAOYSA-N 2 1 343.515 3.231 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000876719248 1298936150 /nfs/dbraw/zinc/93/61/50/1298936150.db2.gz GQLYSZCHHHGCAF-RDTXWAMCSA-N 2 1 349.906 3.005 10 30 EGEEMP C#C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332895 1309285779 /nfs/dbraw/zinc/28/57/79/1309285779.db2.gz QVXGYHDNGNWCKU-QESAQDPVSA-N 2 1 338.495 3.058 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924986389 1323236617 /nfs/dbraw/zinc/23/66/17/1323236617.db2.gz MAGLAHFMLNJBET-FXAWDEMLSA-N 2 1 330.520 3.070 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801296 1331199289 /nfs/dbraw/zinc/19/92/89/1331199289.db2.gz RUMNZCNNYNGZIJ-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801296 1331199293 /nfs/dbraw/zinc/19/92/93/1331199293.db2.gz RUMNZCNNYNGZIJ-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801296 1331199294 /nfs/dbraw/zinc/19/92/94/1331199294.db2.gz RUMNZCNNYNGZIJ-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945261 1331265266 /nfs/dbraw/zinc/26/52/66/1331265266.db2.gz ZNOYTXDNTSLVNN-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075417 1331320925 /nfs/dbraw/zinc/32/09/25/1331320925.db2.gz KUWVUGBCTCTSDT-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075417 1331320928 /nfs/dbraw/zinc/32/09/28/1331320928.db2.gz KUWVUGBCTCTSDT-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941075417 1331320930 /nfs/dbraw/zinc/32/09/30/1331320930.db2.gz KUWVUGBCTCTSDT-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001324945308 1387842057 /nfs/dbraw/zinc/84/20/57/1387842057.db2.gz YFLIAMCSLBMJNB-NRFANRHFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001324945308 1387842064 /nfs/dbraw/zinc/84/20/64/1387842064.db2.gz YFLIAMCSLBMJNB-NRFANRHFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001324945308 1387842072 /nfs/dbraw/zinc/84/20/72/1387842072.db2.gz YFLIAMCSLBMJNB-NRFANRHFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111214 1377189893 /nfs/dbraw/zinc/18/98/93/1377189893.db2.gz YDFBBVDJGFCOJO-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266111214 1377189894 /nfs/dbraw/zinc/18/98/94/1377189894.db2.gz YDFBBVDJGFCOJO-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266111214 1377189895 /nfs/dbraw/zinc/18/98/95/1377189895.db2.gz YDFBBVDJGFCOJO-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001277423803 1378222200 /nfs/dbraw/zinc/22/22/00/1378222200.db2.gz VZKCTGLAUGDVKF-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001277423803 1378222207 /nfs/dbraw/zinc/22/22/07/1378222207.db2.gz VZKCTGLAUGDVKF-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001277423803 1378222219 /nfs/dbraw/zinc/22/22/19/1378222219.db2.gz VZKCTGLAUGDVKF-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001281683198 1378448685 /nfs/dbraw/zinc/44/86/85/1378448685.db2.gz NDFDGPBRMWUDPJ-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001282274980 1378494114 /nfs/dbraw/zinc/49/41/14/1378494114.db2.gz PWJRTGUFSRQZMZ-MHJFOBGBSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001327695945 1388585327 /nfs/dbraw/zinc/58/53/27/1388585327.db2.gz MAODISVRFXAVCN-UZLBHIALSA-N 2 1 343.515 3.313 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001167659899 1383702665 /nfs/dbraw/zinc/70/26/65/1383702665.db2.gz WQOIPKSBELIQIN-QGZVFWFLSA-N 2 1 326.488 3.430 10 30 EGEEMP C=CCC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382621 1385270915 /nfs/dbraw/zinc/27/09/15/1385270915.db2.gz SGQGLQYEEPLWAC-NJYVYQBISA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382621 1385270917 /nfs/dbraw/zinc/27/09/17/1385270917.db2.gz SGQGLQYEEPLWAC-NJYVYQBISA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382621 1385270919 /nfs/dbraw/zinc/27/09/19/1385270919.db2.gz SGQGLQYEEPLWAC-NJYVYQBISA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382621 1385270921 /nfs/dbraw/zinc/27/09/21/1385270921.db2.gz SGQGLQYEEPLWAC-NJYVYQBISA-N 2 1 328.500 3.158 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317762771 1385452072 /nfs/dbraw/zinc/45/20/72/1385452072.db2.gz ZKCYGCHCDVGKKS-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319820558 1386316890 /nfs/dbraw/zinc/31/68/90/1386316890.db2.gz OUQSILNEGPAXCK-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001329230104 1389028912 /nfs/dbraw/zinc/02/89/12/1389028912.db2.gz GOJHOGDBARSTSA-WZOJCFFYSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCN(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001345601610 1390868025 /nfs/dbraw/zinc/86/80/25/1390868025.db2.gz HIWUWICWSQJGCT-UHFFFAOYSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001479887385 1392459228 /nfs/dbraw/zinc/45/92/28/1392459228.db2.gz JZZGRKSCSNAZEO-KRWDZBQOSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001479995278 1392527270 /nfs/dbraw/zinc/52/72/70/1392527270.db2.gz JRXHXKONSGWQDJ-UYAOXDASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480828335 1392967856 /nfs/dbraw/zinc/96/78/56/1392967856.db2.gz OUXOSZRRDPHGAG-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480828335 1392967862 /nfs/dbraw/zinc/96/78/62/1392967862.db2.gz OUXOSZRRDPHGAG-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480828335 1392967867 /nfs/dbraw/zinc/96/78/67/1392967867.db2.gz OUXOSZRRDPHGAG-ICSRJNTNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001698894508 1406626491 /nfs/dbraw/zinc/62/64/91/1406626491.db2.gz WVHFEIKFXVFQEW-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434820 1394290734 /nfs/dbraw/zinc/29/07/34/1394290734.db2.gz FGXVVPBQCPYYBG-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481434820 1394290739 /nfs/dbraw/zinc/29/07/39/1394290739.db2.gz FGXVVPBQCPYYBG-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481434820 1394290741 /nfs/dbraw/zinc/29/07/41/1394290741.db2.gz FGXVVPBQCPYYBG-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481519379 1394369147 /nfs/dbraw/zinc/36/91/47/1394369147.db2.gz CUKUHBRXTARRKV-UHFFFAOYSA-N 2 1 346.519 3.108 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481519379 1394369152 /nfs/dbraw/zinc/36/91/52/1394369152.db2.gz CUKUHBRXTARRKV-UHFFFAOYSA-N 2 1 346.519 3.108 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491192092 1394464789 /nfs/dbraw/zinc/46/47/89/1394464789.db2.gz ZDNDJGGPAIQVRH-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482023076 1394679770 /nfs/dbraw/zinc/67/97/70/1394679770.db2.gz VIIAIGXCHBGGJO-FHWLQOOXSA-N 2 1 335.536 3.234 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484158766 1395294533 /nfs/dbraw/zinc/29/45/33/1395294533.db2.gz IFYJJIVXWYWYAK-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001484158766 1395294537 /nfs/dbraw/zinc/29/45/37/1395294537.db2.gz IFYJJIVXWYWYAK-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001484158766 1395294543 /nfs/dbraw/zinc/29/45/43/1395294543.db2.gz IFYJJIVXWYWYAK-UYAOXDASSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001698988435 1406774735 /nfs/dbraw/zinc/77/47/35/1406774735.db2.gz BFOBUELRCSUXPE-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988435 1406774729 /nfs/dbraw/zinc/77/47/29/1406774729.db2.gz BFOBUELRCSUXPE-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988435 1406774732 /nfs/dbraw/zinc/77/47/32/1406774732.db2.gz BFOBUELRCSUXPE-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001485241809 1395734588 /nfs/dbraw/zinc/73/45/88/1395734588.db2.gz OXJIVTWKNWOFPN-UHFFFAOYSA-N 2 1 346.519 3.332 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486235666 1396186111 /nfs/dbraw/zinc/18/61/11/1396186111.db2.gz DOGNAGVOMRKDJX-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493130881 1396336831 /nfs/dbraw/zinc/33/68/31/1396336831.db2.gz QZMTVXPGNZBHLE-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493130881 1396336832 /nfs/dbraw/zinc/33/68/32/1396336832.db2.gz QZMTVXPGNZBHLE-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001493130881 1396336833 /nfs/dbraw/zinc/33/68/33/1396336833.db2.gz QZMTVXPGNZBHLE-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494583575 1396476365 /nfs/dbraw/zinc/47/63/65/1396476365.db2.gz KHAMMZCEOFKPHT-YLJYHZDGSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699027539 1406863956 /nfs/dbraw/zinc/86/39/56/1406863956.db2.gz IONWWUNHHDRXPY-MJGOQNOKSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001690151978 1404351391 /nfs/dbraw/zinc/35/13/91/1404351391.db2.gz WWKQODHMMOWSCS-UYAOXDASSA-N 2 1 347.547 3.092 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001690357727 1404492571 /nfs/dbraw/zinc/49/25/71/1404492571.db2.gz DMOKYPVQOSDBTQ-ZSYWTGECSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001690459939 1404590640 /nfs/dbraw/zinc/59/06/40/1404590640.db2.gz WAYBRDXENUKOOJ-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001690718400 1404697137 /nfs/dbraw/zinc/69/71/37/1404697137.db2.gz GRRCGLVVVIVYIR-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690826593 1404764349 /nfs/dbraw/zinc/76/43/49/1404764349.db2.gz KIMCYUNELVBCBZ-HXUWFJFHSA-N 2 1 343.515 3.251 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691401637 1405238066 /nfs/dbraw/zinc/23/80/66/1405238066.db2.gz RKBDOAKRYZHGRJ-HSALFYBXSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001691650091 1405382558 /nfs/dbraw/zinc/38/25/58/1405382558.db2.gz WMEMQFDEGFQQAA-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691650091 1405382565 /nfs/dbraw/zinc/38/25/65/1405382565.db2.gz WMEMQFDEGFQQAA-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001691650091 1405382566 /nfs/dbraw/zinc/38/25/66/1405382566.db2.gz WMEMQFDEGFQQAA-IBGZPJMESA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001691663312 1405396736 /nfs/dbraw/zinc/39/67/36/1405396736.db2.gz QGFOOPIPZOBPOI-NLWGTHIKSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001691667586 1405401189 /nfs/dbraw/zinc/40/11/89/1405401189.db2.gz VLLZWKKCGUJFOU-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001691987974 1405699990 /nfs/dbraw/zinc/69/99/90/1405699990.db2.gz DUTNFNOJXNBAPH-IPMKNSEASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001691987974 1405699992 /nfs/dbraw/zinc/69/99/92/1405699992.db2.gz DUTNFNOJXNBAPH-IPMKNSEASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001691987974 1405699994 /nfs/dbraw/zinc/69/99/94/1405699994.db2.gz DUTNFNOJXNBAPH-IPMKNSEASA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001692007290 1405725547 /nfs/dbraw/zinc/72/55/47/1405725547.db2.gz ZRGYCRHNVCHGMW-LJQANCHMSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001692007290 1405725550 /nfs/dbraw/zinc/72/55/50/1405725550.db2.gz ZRGYCRHNVCHGMW-LJQANCHMSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001692007290 1405725553 /nfs/dbraw/zinc/72/55/53/1405725553.db2.gz ZRGYCRHNVCHGMW-LJQANCHMSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692009167 1405727597 /nfs/dbraw/zinc/72/75/97/1405727597.db2.gz KYJXWXCMGLFOCF-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001692253223 1405878981 /nfs/dbraw/zinc/87/89/81/1405878981.db2.gz XUUJOLJHYGYBJC-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001692253223 1405878985 /nfs/dbraw/zinc/87/89/85/1405878985.db2.gz XUUJOLJHYGYBJC-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001692253223 1405878995 /nfs/dbraw/zinc/87/89/95/1405878995.db2.gz XUUJOLJHYGYBJC-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001732313750 1428525785 /nfs/dbraw/zinc/52/57/85/1428525785.db2.gz XASOBLNHLVROKC-MKXGPGLRSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699870071 1413316419 /nfs/dbraw/zinc/31/64/19/1413316419.db2.gz WVEWVHXDUCQZLY-PZJWPPBQSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699870071 1413316422 /nfs/dbraw/zinc/31/64/22/1413316422.db2.gz WVEWVHXDUCQZLY-PZJWPPBQSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699870071 1413316428 /nfs/dbraw/zinc/31/64/28/1413316428.db2.gz WVEWVHXDUCQZLY-PZJWPPBQSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001732547188 1428723845 /nfs/dbraw/zinc/72/38/45/1428723845.db2.gz XJJWCBVAJOOGOO-PKOBYXMFSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001700292468 1413747823 /nfs/dbraw/zinc/74/78/23/1413747823.db2.gz KSDVXFVJWAFSTK-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292468 1413747828 /nfs/dbraw/zinc/74/78/28/1413747828.db2.gz KSDVXFVJWAFSTK-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001700292468 1413747830 /nfs/dbraw/zinc/74/78/30/1413747830.db2.gz KSDVXFVJWAFSTK-RBUKOAKNSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001700341019 1413821806 /nfs/dbraw/zinc/82/18/06/1413821806.db2.gz HIBGXMGZHSQBEJ-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700341019 1413821807 /nfs/dbraw/zinc/82/18/07/1413821807.db2.gz HIBGXMGZHSQBEJ-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001700341019 1413821810 /nfs/dbraw/zinc/82/18/10/1413821810.db2.gz HIBGXMGZHSQBEJ-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001701011491 1414671563 /nfs/dbraw/zinc/67/15/63/1414671563.db2.gz QLLWRVISNVNTQT-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001707274493 1417281134 /nfs/dbraw/zinc/28/11/34/1417281134.db2.gz DEZYIKPHENLVAW-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001707274493 1417281136 /nfs/dbraw/zinc/28/11/36/1417281136.db2.gz DEZYIKPHENLVAW-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001707274493 1417281139 /nfs/dbraw/zinc/28/11/39/1417281139.db2.gz DEZYIKPHENLVAW-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001713117253 1417682321 /nfs/dbraw/zinc/68/23/21/1417682321.db2.gz ROWXBPVJSSXAID-VQTJNVASSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001713141286 1417723112 /nfs/dbraw/zinc/72/31/12/1417723112.db2.gz BWSRFFMHZOAGDL-BGYRXZFFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001713141286 1417723115 /nfs/dbraw/zinc/72/31/15/1417723115.db2.gz BWSRFFMHZOAGDL-BGYRXZFFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001713141286 1417723117 /nfs/dbraw/zinc/72/31/17/1417723117.db2.gz BWSRFFMHZOAGDL-BGYRXZFFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713891363 1418688010 /nfs/dbraw/zinc/68/80/10/1418688010.db2.gz HUFBNWHWIWELKH-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713891363 1418688012 /nfs/dbraw/zinc/68/80/12/1418688012.db2.gz HUFBNWHWIWELKH-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713891363 1418688014 /nfs/dbraw/zinc/68/80/14/1418688014.db2.gz HUFBNWHWIWELKH-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001714327054 1419105807 /nfs/dbraw/zinc/10/58/07/1419105807.db2.gz IMAXTJNSDSGZCW-PMACEKPBSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001715160376 1419901709 /nfs/dbraw/zinc/90/17/09/1419901709.db2.gz JBBKXLCKIBIVDT-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001716052939 1420517754 /nfs/dbraw/zinc/51/77/54/1420517754.db2.gz HFZHJTBQXPVCTP-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030879 1421084923 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ZDRLMMKZUZXQNM-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717218105 1421196065 /nfs/dbraw/zinc/19/60/65/1421196065.db2.gz ZDRLMMKZUZXQNM-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001717308390 1421250572 /nfs/dbraw/zinc/25/05/72/1421250572.db2.gz RDKUDIUONJKCJJ-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001717627394 1421536392 /nfs/dbraw/zinc/53/63/92/1421536392.db2.gz PXMVHFRLUZJNHA-ZCNNSNEGSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001717627391 1421536758 /nfs/dbraw/zinc/53/67/58/1421536758.db2.gz PXMVHFRLUZJNHA-SLFFLAALSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717669038 1421558774 /nfs/dbraw/zinc/55/87/74/1421558774.db2.gz NQAMLTRBDHYSHU-ZWKOTPCHSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC001733380282 1429565133 /nfs/dbraw/zinc/56/51/33/1429565133.db2.gz OEZSYGLEPABLBO-QUCCMNQESA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001733385643 1429572780 /nfs/dbraw/zinc/57/27/80/1429572780.db2.gz SNKSTJCNCHDASN-VQTJNVASSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342631 1424838705 /nfs/dbraw/zinc/83/87/05/1424838705.db2.gz BJOJVOPZYBQHPL-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001724602259 1424933915 /nfs/dbraw/zinc/93/39/15/1424933915.db2.gz VFPSUTBZQQEOOG-ACDBMABISA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998348 1425405956 /nfs/dbraw/zinc/40/59/56/1425405956.db2.gz ASSOFKVNZLFAOV-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998348 1425405959 /nfs/dbraw/zinc/40/59/59/1425405959.db2.gz ASSOFKVNZLFAOV-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001725765163 1426447853 /nfs/dbraw/zinc/44/78/53/1426447853.db2.gz ONNQAFZECSGJFN-UHFFFAOYSA-N 2 1 342.487 3.391 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001731350965 1427289908 /nfs/dbraw/zinc/28/99/08/1427289908.db2.gz PZRBHUWJEWJTHG-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001731516293 1427503714 /nfs/dbraw/zinc/50/37/14/1427503714.db2.gz OWACOHNUJDJTMZ-QZTJIDSGSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604209 1429812160 /nfs/dbraw/zinc/81/21/60/1429812160.db2.gz VJGGLJSRLPHBBG-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604209 1429812165 /nfs/dbraw/zinc/81/21/65/1429812165.db2.gz VJGGLJSRLPHBBG-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001733694141 1429911619 /nfs/dbraw/zinc/91/16/19/1429911619.db2.gz YBYFVVWYAAGODW-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001733783015 1430050874 /nfs/dbraw/zinc/05/08/74/1430050874.db2.gz UWNPFHIQSVNDES-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783015 1430050877 /nfs/dbraw/zinc/05/08/77/1430050877.db2.gz UWNPFHIQSVNDES-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783015 1430050882 /nfs/dbraw/zinc/05/08/82/1430050882.db2.gz UWNPFHIQSVNDES-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733875141 1437701463 /nfs/dbraw/zinc/70/14/63/1437701463.db2.gz HVOOVKHKMQCAQK-LJQANCHMSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733932605 1437745837 /nfs/dbraw/zinc/74/58/37/1437745837.db2.gz PIOVYMWDAYSRQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733932605 1437745839 /nfs/dbraw/zinc/74/58/39/1437745839.db2.gz PIOVYMWDAYSRQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001733932605 1437745842 /nfs/dbraw/zinc/74/58/42/1437745842.db2.gz PIOVYMWDAYSRQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001734012376 1437803879 /nfs/dbraw/zinc/80/38/79/1437803879.db2.gz WXGVLVYEPMNASR-XEVCZEQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946221 1440118891 /nfs/dbraw/zinc/11/88/91/1440118891.db2.gz YKIIYQNRGXVSKL-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCC#N)CC2CC2)CC1 ZINC000093091397 454681356 /nfs/dbraw/zinc/68/13/56/454681356.db2.gz OZWIMOYMYFDGOG-UHFFFAOYSA-N 2 1 340.515 3.344 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000093091397 454681362 /nfs/dbraw/zinc/68/13/62/454681362.db2.gz OZWIMOYMYFDGOG-UHFFFAOYSA-N 2 1 340.515 3.344 10 30 EGEEMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000190456927 455321859 /nfs/dbraw/zinc/32/18/59/455321859.db2.gz SMWRNHNDGPJLSH-CQSZACIVSA-N 2 1 346.525 3.339 10 30 EGEEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190456927 455321864 /nfs/dbraw/zinc/32/18/64/455321864.db2.gz SMWRNHNDGPJLSH-CQSZACIVSA-N 2 1 346.525 3.339 10 30 EGEEMP CC[C@H](C#N)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000192992418 455731251 /nfs/dbraw/zinc/73/12/51/455731251.db2.gz AEWNLWASOLTLDE-HQSKLWIPSA-N 2 1 343.471 3.091 10 30 EGEEMP CC[C@H](C#N)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000192992418 455731258 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3.368 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719626 1298937228 /nfs/dbraw/zinc/93/72/28/1298937228.db2.gz QAARKDXSFDYKDL-WMLDXEAASA-N 2 1 335.879 3.469 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924986413 1323236664 /nfs/dbraw/zinc/23/66/64/1323236664.db2.gz MAGLAHFMLNJBET-YLJYHZDGSA-N 2 1 330.520 3.070 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001324103088 1387543031 /nfs/dbraw/zinc/54/30/31/1387543031.db2.gz NUYNPWFIANQHIE-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001324103088 1387543039 /nfs/dbraw/zinc/54/30/39/1387543039.db2.gz NUYNPWFIANQHIE-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001274643240 1378131318 /nfs/dbraw/zinc/13/13/18/1378131318.db2.gz IYANYNOZVWMLLI-MJGOQNOKSA-N 2 1 337.552 3.268 10 30 EGEEMP 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ZINC001308422129 1384125099 /nfs/dbraw/zinc/12/50/99/1384125099.db2.gz GOYRJTILOQMLMS-UHFFFAOYSA-N 2 1 332.451 3.070 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001308422129 1384125100 /nfs/dbraw/zinc/12/51/00/1384125100.db2.gz GOYRJTILOQMLMS-UHFFFAOYSA-N 2 1 332.451 3.070 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811694 1384609145 /nfs/dbraw/zinc/60/91/45/1384609145.db2.gz OBBBDHTZUVINPZ-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811694 1384609154 /nfs/dbraw/zinc/60/91/54/1384609154.db2.gz OBBBDHTZUVINPZ-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001316811706 1384609498 /nfs/dbraw/zinc/60/94/98/1384609498.db2.gz OIXZYFRYJAVCHS-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317687203 1385398199 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CZAKCJWVNWVYLQ-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001318897235 1385874006 /nfs/dbraw/zinc/87/40/06/1385874006.db2.gz UOISANSPGSYEMT-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001319775210 1386290757 /nfs/dbraw/zinc/29/07/57/1386290757.db2.gz RRSXKOZGQLINEX-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001178826738 1386319475 /nfs/dbraw/zinc/31/94/75/1386319475.db2.gz HOPJGTGDIOWFFY-UHFFFAOYSA-N 2 1 340.442 3.449 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001178826738 1386319479 /nfs/dbraw/zinc/31/94/79/1386319479.db2.gz HOPJGTGDIOWFFY-UHFFFAOYSA-N 2 1 340.442 3.449 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001329826164 1389232349 /nfs/dbraw/zinc/23/23/49/1389232349.db2.gz WEVFQYMTZOJAMT-RCCFBDPRSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001329846111 1389235912 /nfs/dbraw/zinc/23/59/12/1389235912.db2.gz PDNFSYONIDLSMT-UHFFFAOYSA-N 2 1 343.943 3.126 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001331054566 1389612550 /nfs/dbraw/zinc/61/25/50/1389612550.db2.gz UKCMVPZXUZDPQJ-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001332099194 1389982706 /nfs/dbraw/zinc/98/27/06/1389982706.db2.gz HTVLVHFPLJYVHR-AZUAARDMSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001332099194 1389982708 /nfs/dbraw/zinc/98/27/08/1389982708.db2.gz HTVLVHFPLJYVHR-AZUAARDMSA-N 2 1 346.519 3.275 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)CC(C)(C)C1 ZINC001479748306 1392366781 /nfs/dbraw/zinc/36/67/81/1392366781.db2.gz RWWWYKGVMCJGEV-GOSISDBHSA-N 2 1 346.519 3.236 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001480410518 1392746575 /nfs/dbraw/zinc/74/65/75/1392746575.db2.gz MGGDTVBMMLCOMT-MHJFOBGBSA-N 2 1 343.515 3.273 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480826234 1392964732 /nfs/dbraw/zinc/96/47/32/1392964732.db2.gz HUFKAHGUYILVAO-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001490419370 1394220860 /nfs/dbraw/zinc/22/08/60/1394220860.db2.gz AIRMPDYKLCVLKU-QGZVFWFLSA-N 2 1 346.519 3.249 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491219810 1394478658 /nfs/dbraw/zinc/47/86/58/1394478658.db2.gz YYVKIJLZBVJWEL-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001482043796 1394705362 /nfs/dbraw/zinc/70/53/62/1394705362.db2.gz WYBXUANQPNKQMW-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001484022732 1395194707 /nfs/dbraw/zinc/19/47/07/1395194707.db2.gz ODROEJRQHUKHNG-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484022732 1395194708 /nfs/dbraw/zinc/19/47/08/1395194708.db2.gz ODROEJRQHUKHNG-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001484022732 1395194710 /nfs/dbraw/zinc/19/47/10/1395194710.db2.gz ODROEJRQHUKHNG-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001484322151 1395340786 /nfs/dbraw/zinc/34/07/86/1395340786.db2.gz BMNLYXMHTIBUQL-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001484325832 1395342634 /nfs/dbraw/zinc/34/26/34/1395342634.db2.gz YVGUWWCWJNVDMH-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001485239751 1395732841 /nfs/dbraw/zinc/73/28/41/1395732841.db2.gz ACDPYCWHNYCNRE-UHFFFAOYSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494583568 1396476237 /nfs/dbraw/zinc/47/62/37/1396476237.db2.gz KHAMMZCEOFKPHT-FXAWDEMLSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001699008409 1406834495 /nfs/dbraw/zinc/83/44/95/1406834495.db2.gz IVNXSDPAHPLLNL-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001496576519 1396716988 /nfs/dbraw/zinc/71/69/88/1396716988.db2.gz YUVMTOZEFVVMBE-INIZCTEOSA-N 2 1 343.943 3.122 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001689199536 1396970782 /nfs/dbraw/zinc/97/07/82/1396970782.db2.gz GXBAYKXFYFNHQR-VQTJNVASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001689199536 1396970786 /nfs/dbraw/zinc/97/07/86/1396970786.db2.gz GXBAYKXFYFNHQR-VQTJNVASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1CC ZINC001689199536 1396970790 /nfs/dbraw/zinc/97/07/90/1396970790.db2.gz GXBAYKXFYFNHQR-VQTJNVASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1CC ZINC001689199536 1396970795 /nfs/dbraw/zinc/97/07/95/1396970795.db2.gz GXBAYKXFYFNHQR-VQTJNVASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690126878 1404320310 /nfs/dbraw/zinc/32/03/10/1404320310.db2.gz XOMSQAKYGFOADH-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215472 1404423458 /nfs/dbraw/zinc/42/34/58/1404423458.db2.gz REZMXFHRPBJEEJ-SLFFLAALSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690418295 1404548344 /nfs/dbraw/zinc/54/83/44/1404548344.db2.gz ODCGFNPOHVIWDF-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690824859 1404762626 /nfs/dbraw/zinc/76/26/26/1404762626.db2.gz MJESSROPYIVBBX-IBGZPJMESA-N 2 1 335.536 3.142 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001691673428 1405407364 /nfs/dbraw/zinc/40/73/64/1405407364.db2.gz XGRRGMLHBZIQAZ-UYAOXDASSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691794298 1405505426 /nfs/dbraw/zinc/50/54/26/1405505426.db2.gz YBNORFPPFMDMKZ-FQEVSTJZSA-N 2 1 343.515 3.251 10 30 EGEEMP C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001692016991 1405735890 /nfs/dbraw/zinc/73/58/90/1405735890.db2.gz QNQLIBWVSSUVKJ-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001692016991 1405735893 /nfs/dbraw/zinc/73/58/93/1405735893.db2.gz QNQLIBWVSSUVKJ-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001692016991 1405735898 /nfs/dbraw/zinc/73/58/98/1405735898.db2.gz QNQLIBWVSSUVKJ-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001731751859 1427847928 /nfs/dbraw/zinc/84/79/28/1427847928.db2.gz ZURRBAMOSPBSBE-QGZVFWFLSA-N 2 1 349.544 3.360 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001732020421 1428238033 /nfs/dbraw/zinc/23/80/33/1428238033.db2.gz TUXXMNCOOOKKEW-MSOLQXFVSA-N 2 1 349.906 3.059 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732020421 1428238036 /nfs/dbraw/zinc/23/80/36/1428238036.db2.gz TUXXMNCOOOKKEW-MSOLQXFVSA-N 2 1 349.906 3.059 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074721 1428325418 /nfs/dbraw/zinc/32/54/18/1428325418.db2.gz JVXZKVSRUFYUJA-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001732189278 1428440980 /nfs/dbraw/zinc/44/09/80/1428440980.db2.gz HFGVBAUMMALUGU-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 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LLAKYNSBSDUFHX-RTBURBONSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001716053727 1420518105 /nfs/dbraw/zinc/51/81/05/1420518105.db2.gz LLAKYNSBSDUFHX-RTBURBONSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001716053727 1420518107 /nfs/dbraw/zinc/51/81/07/1420518107.db2.gz LLAKYNSBSDUFHX-RTBURBONSA-N 2 1 337.552 3.220 10 30 EGEEMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733268910 1429429929 /nfs/dbraw/zinc/42/99/29/1429429929.db2.gz SCBBZIZQRLBQDQ-CTXDPNEZSA-N 2 1 347.547 3.329 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704648 1420858967 /nfs/dbraw/zinc/85/89/67/1420858967.db2.gz YNTOSFYSISNXEP-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763725 1420910179 /nfs/dbraw/zinc/91/01/79/1420910179.db2.gz GLEZVUQDSWRLAC-ROUUACIJSA-N 2 1 335.536 3.186 10 30 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ZINC001717581030 1421506942 /nfs/dbraw/zinc/50/69/42/1421506942.db2.gz GVGYJKMCFGIAIZ-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581030 1421506944 /nfs/dbraw/zinc/50/69/44/1421506944.db2.gz GVGYJKMCFGIAIZ-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001717702043 1421575428 /nfs/dbraw/zinc/57/54/28/1421575428.db2.gz QMIYGLUPHCBMFZ-UHFFFAOYSA-N 2 1 340.471 3.145 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001717906382 1421701941 /nfs/dbraw/zinc/70/19/41/1421701941.db2.gz XXKHHDDZJVKWJE-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001717964372 1421735629 /nfs/dbraw/zinc/73/56/29/1421735629.db2.gz SYCSBDZJWIWBIC-GOSISDBHSA-N 2 1 337.552 3.338 10 30 EGEEMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001717978611 1421749850 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UJTFVDDBBOHIIH-MSOLQXFVSA-N 2 1 349.906 3.013 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001724126991 1424678318 /nfs/dbraw/zinc/67/83/18/1424678318.db2.gz ZXEMKAQTGGFUQV-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126991 1424678320 /nfs/dbraw/zinc/67/83/20/1424678320.db2.gz ZXEMKAQTGGFUQV-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126991 1424678324 /nfs/dbraw/zinc/67/83/24/1424678324.db2.gz ZXEMKAQTGGFUQV-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001724285967 1424775755 /nfs/dbraw/zinc/77/57/55/1424775755.db2.gz XHSLJUSVKJZGDK-GOSISDBHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC001724750675 1425120489 /nfs/dbraw/zinc/12/04/89/1425120489.db2.gz ULNUIWSCLPYNCQ-MRXNPFEDSA-N 2 1 340.471 3.160 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725058524 1425497105 /nfs/dbraw/zinc/49/71/05/1425497105.db2.gz LJOBZUITUAAZJU-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725058524 1425497118 /nfs/dbraw/zinc/49/71/18/1425497118.db2.gz LJOBZUITUAAZJU-WOJBJXKFSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001725230530 1425803623 /nfs/dbraw/zinc/80/36/23/1425803623.db2.gz VPOLDILFLZLNOU-QZTJIDSGSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725238873 1425836172 /nfs/dbraw/zinc/83/61/72/1425836172.db2.gz HGQVJFDMBPFDLM-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001725671467 1426355453 /nfs/dbraw/zinc/35/54/53/1426355453.db2.gz SVUILPPWRKYGPU-IAGOWNOFSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830524 1426508870 /nfs/dbraw/zinc/50/88/70/1426508870.db2.gz SAOLJXKGYICHII-UYAOXDASSA-N 2 1 347.547 3.210 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553898 1427577601 /nfs/dbraw/zinc/57/76/01/1427577601.db2.gz ZPLAZKQDBOUTKF-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733604715 1429814123 /nfs/dbraw/zinc/81/41/23/1429814123.db2.gz YNGQZNHHFQAGHJ-CEXWTWQISA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734456654 1438113902 /nfs/dbraw/zinc/11/39/02/1438113902.db2.gz HKDBOZSVLUAOAZ-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001734614560 1438187615 /nfs/dbraw/zinc/18/76/15/1438187615.db2.gz VPNXICOPXMHAJE-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358437170 287022819 /nfs/dbraw/zinc/02/28/19/287022819.db2.gz FCOZGADXCQSELV-OWCLPIDISA-N 2 1 333.451 3.237 10 30 EGEEMP C=CCOc1ccccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237669000 455205748 /nfs/dbraw/zinc/20/57/48/455205748.db2.gz VEBIXDIPTDWSIJ-HDICACEKSA-N 2 1 332.488 3.230 10 30 EGEEMP C#CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325216 /nfs/dbraw/zinc/32/52/16/455325216.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 1 349.478 3.048 10 30 EGEEMP C#CCOc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325220 /nfs/dbraw/zinc/32/52/20/455325220.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 1 349.478 3.048 10 30 EGEEMP COCC[NH+]1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271052925 456112902 /nfs/dbraw/zinc/11/29/02/456112902.db2.gz BOOPNQRYYDJIJY-UHFFFAOYSA-N 2 1 341.499 3.091 10 30 EGEEMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000594504962 459066409 /nfs/dbraw/zinc/06/64/09/459066409.db2.gz WECREOMGETZIEQ-KRWDZBQOSA-N 2 1 329.488 3.078 10 30 EGEEMP N#CC(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000618275875 459951055 /nfs/dbraw/zinc/95/10/55/459951055.db2.gz DXJPWGRMBVZOGO-RTBURBONSA-N 2 1 331.463 3.038 10 30 EGEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594441639 460221444 /nfs/dbraw/zinc/22/14/44/460221444.db2.gz UBAGXRKGSFJBAL-APWZRJJASA-N 2 1 342.487 3.268 10 30 EGEEMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1Cc2ccccc2O1 ZINC000883177799 1302287320 /nfs/dbraw/zinc/28/73/20/1302287320.db2.gz IWXOZVXNNYNMAW-PZJWPPBQSA-N 2 1 344.499 3.025 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075493 1331322252 /nfs/dbraw/zinc/32/22/52/1331322252.db2.gz NCBHYBTULKTYBI-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236797 1331401712 /nfs/dbraw/zinc/40/17/12/1331401712.db2.gz ASSYROQRFBJTBI-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236797 1331401713 /nfs/dbraw/zinc/40/17/13/1331401713.db2.gz ASSYROQRFBJTBI-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001324880568 1387803080 /nfs/dbraw/zinc/80/30/80/1387803080.db2.gz ORLUOEMXYPUHQH-IBGZPJMESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001326496243 1388219735 /nfs/dbraw/zinc/21/97/35/1388219735.db2.gz WZDZWCLTOIOTOJ-ROUUACIJSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566647 1388241857 /nfs/dbraw/zinc/24/18/57/1388241857.db2.gz MOZLCUISNPVJKT-LWYYNNOASA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001327173901 1388423321 /nfs/dbraw/zinc/42/33/21/1388423321.db2.gz VJTXVYBYKSMREP-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001327173901 1388423326 /nfs/dbraw/zinc/42/33/26/1388423326.db2.gz VJTXVYBYKSMREP-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001327173901 1388423329 /nfs/dbraw/zinc/42/33/29/1388423329.db2.gz VJTXVYBYKSMREP-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001327173901 1388423332 /nfs/dbraw/zinc/42/33/32/1388423332.db2.gz VJTXVYBYKSMREP-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563732 1377457658 /nfs/dbraw/zinc/45/76/58/1377457658.db2.gz DSBVPPUIHDCSER-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001267563732 1377457660 /nfs/dbraw/zinc/45/76/60/1377457660.db2.gz DSBVPPUIHDCSER-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267563732 1377457662 /nfs/dbraw/zinc/45/76/62/1377457662.db2.gz DSBVPPUIHDCSER-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001282682642 1378555864 /nfs/dbraw/zinc/55/58/64/1378555864.db2.gz SFUHJMWJZYQQOS-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058358 1379409940 /nfs/dbraw/zinc/40/99/40/1379409940.db2.gz QJGSWDYCGIHRFO-BNDYYXHWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058358 1379409941 /nfs/dbraw/zinc/40/99/41/1379409941.db2.gz QJGSWDYCGIHRFO-BNDYYXHWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058358 1379409943 /nfs/dbraw/zinc/40/99/43/1379409943.db2.gz QJGSWDYCGIHRFO-BNDYYXHWSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001328294954 1388718701 /nfs/dbraw/zinc/71/87/01/1388718701.db2.gz PQNYYMAXFYOPIJ-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001328579225 1388780587 /nfs/dbraw/zinc/78/05/87/1388780587.db2.gz VGINKYIJTKPTLB-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001316812329 1384610861 /nfs/dbraw/zinc/61/08/61/1384610861.db2.gz UGYVQMUHZKJVQQ-GOSISDBHSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001316812329 1384610865 /nfs/dbraw/zinc/61/08/65/1384610865.db2.gz UGYVQMUHZKJVQQ-GOSISDBHSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001317177150 1384950074 /nfs/dbraw/zinc/95/00/74/1384950074.db2.gz SBSSJPLLHSJKJB-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317177150 1384950076 /nfs/dbraw/zinc/95/00/76/1384950076.db2.gz SBSSJPLLHSJKJB-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317177150 1384950081 /nfs/dbraw/zinc/95/00/81/1384950081.db2.gz SBSSJPLLHSJKJB-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317177150 1384950084 /nfs/dbraw/zinc/95/00/84/1384950084.db2.gz SBSSJPLLHSJKJB-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317192486 1384966531 /nfs/dbraw/zinc/96/65/31/1384966531.db2.gz ODSOEHVJPGFUCQ-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317209610 1384988310 /nfs/dbraw/zinc/98/83/10/1384988310.db2.gz SYPHIZFTQYQYFS-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209610 1384988311 /nfs/dbraw/zinc/98/83/11/1384988311.db2.gz SYPHIZFTQYQYFS-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209610 1384988312 /nfs/dbraw/zinc/98/83/12/1384988312.db2.gz SYPHIZFTQYQYFS-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317883186 1385561493 /nfs/dbraw/zinc/56/14/93/1385561493.db2.gz XTMWOONSGFYTOT-HKUYNNGSSA-N 2 1 337.552 3.098 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001318959600 1385897811 /nfs/dbraw/zinc/89/78/11/1385897811.db2.gz UBYRTDQIYOTUFS-VJANTYMQSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001319037364 1385938727 /nfs/dbraw/zinc/93/87/27/1385938727.db2.gz DHRKBTHCOHTIIL-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCc1cc(OC)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001337806590 1389448608 /nfs/dbraw/zinc/44/86/08/1389448608.db2.gz UMFUNYZVFOQZES-LNLFQRSKSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001698740324 1406391259 /nfs/dbraw/zinc/39/12/59/1406391259.db2.gz YPPXZLPZLPSLNL-UHFFFAOYSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001332118796 1389995914 /nfs/dbraw/zinc/99/59/14/1389995914.db2.gz QMOUUUPFHHLLOF-FPOVZHCZSA-N 2 1 347.547 3.332 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001341119251 1390443215 /nfs/dbraw/zinc/44/32/15/1390443215.db2.gz HKMVJPZLRVGVQW-NQIIRXRSSA-N 2 1 343.515 3.402 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486442163 1391008491 /nfs/dbraw/zinc/00/84/91/1391008491.db2.gz GJZYEMCQYKZQOD-YLJYHZDGSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001479597573 1392284927 /nfs/dbraw/zinc/28/49/27/1392284927.db2.gz NEIXBOSDUUIJDQ-HSALFYBXSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001479995277 1392527381 /nfs/dbraw/zinc/52/73/81/1392527381.db2.gz JRXHXKONSGWQDJ-QUCCMNQESA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372390 1392714277 /nfs/dbraw/zinc/71/42/77/1392714277.db2.gz JZNTXBMPTSXKIP-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372390 1392714279 /nfs/dbraw/zinc/71/42/79/1392714279.db2.gz JZNTXBMPTSXKIP-RTBURBONSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829238 1392968295 /nfs/dbraw/zinc/96/82/95/1392968295.db2.gz GWNXCZHUXJSCNW-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481525687 1394376473 /nfs/dbraw/zinc/37/64/73/1394376473.db2.gz CQDRDSGXUVNKPX-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481525687 1394376476 /nfs/dbraw/zinc/37/64/76/1394376476.db2.gz CQDRDSGXUVNKPX-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481525687 1394376480 /nfs/dbraw/zinc/37/64/80/1394376480.db2.gz CQDRDSGXUVNKPX-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490980507 1394391087 /nfs/dbraw/zinc/39/10/87/1394391087.db2.gz DVRQCMZQEPSMOO-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490980507 1394391090 /nfs/dbraw/zinc/39/10/90/1394391090.db2.gz DVRQCMZQEPSMOO-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490980507 1394391093 /nfs/dbraw/zinc/39/10/93/1394391093.db2.gz DVRQCMZQEPSMOO-OALUTQOASA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110410 1394431512 /nfs/dbraw/zinc/43/15/12/1394431512.db2.gz HFURUDKFUXPJKO-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482055856 1394717912 /nfs/dbraw/zinc/71/79/12/1394717912.db2.gz JUDTWVOBLHWXRO-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001484023101 1395194693 /nfs/dbraw/zinc/19/46/93/1395194693.db2.gz VTOLQJOYHSBCKZ-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001484023101 1395194694 /nfs/dbraw/zinc/19/46/94/1395194694.db2.gz VTOLQJOYHSBCKZ-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCCCCC)C2 ZINC001484023101 1395194696 /nfs/dbraw/zinc/19/46/96/1395194696.db2.gz VTOLQJOYHSBCKZ-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579875 1396053010 /nfs/dbraw/zinc/05/30/10/1396053010.db2.gz WLXRGEAOXWYTND-MJGOQNOKSA-N 2 1 349.563 3.288 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001485784973 1396153385 /nfs/dbraw/zinc/15/33/85/1396153385.db2.gz JKNKOMDVSKILEU-RTBURBONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842879 1396499404 /nfs/dbraw/zinc/49/94/04/1396499404.db2.gz VCWLVAZOEKPXLI-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494842879 1396499405 /nfs/dbraw/zinc/49/94/05/1396499405.db2.gz VCWLVAZOEKPXLI-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494842879 1396499409 /nfs/dbraw/zinc/49/94/09/1396499409.db2.gz VCWLVAZOEKPXLI-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001495939372 1396572721 /nfs/dbraw/zinc/57/27/21/1396572721.db2.gz RDNXQJWUUPTDPL-IBGZPJMESA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001495963832 1396580311 /nfs/dbraw/zinc/58/03/11/1396580311.db2.gz SGQCYSIQNUPILV-QZTJIDSGSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001689270053 1397001299 /nfs/dbraw/zinc/00/12/99/1397001299.db2.gz GSWKXXXJWVQBSA-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365415 1403705159 /nfs/dbraw/zinc/70/51/59/1403705159.db2.gz FVJLBJYVFKWHIK-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001690049406 1404282513 /nfs/dbraw/zinc/28/25/13/1404282513.db2.gz RFLOWQFOMYMRBP-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001690049406 1404282518 /nfs/dbraw/zinc/28/25/18/1404282518.db2.gz RFLOWQFOMYMRBP-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690049406 1404282519 /nfs/dbraw/zinc/28/25/19/1404282519.db2.gz RFLOWQFOMYMRBP-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690049406 1404282524 /nfs/dbraw/zinc/28/25/24/1404282524.db2.gz RFLOWQFOMYMRBP-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690450509 1404575757 /nfs/dbraw/zinc/57/57/57/1404575757.db2.gz KWEHMSZIUGJZBO-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690450509 1404575759 /nfs/dbraw/zinc/57/57/59/1404575759.db2.gz KWEHMSZIUGJZBO-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690450509 1404575763 /nfs/dbraw/zinc/57/57/63/1404575763.db2.gz KWEHMSZIUGJZBO-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163369 1405099522 /nfs/dbraw/zinc/09/95/22/1405099522.db2.gz UVVNHCQSLNTQPQ-IEBWSBKVSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001725748445 1426426829 /nfs/dbraw/zinc/42/68/29/1426426829.db2.gz ALIGDZAWUHMTJN-OALUTQOASA-N 2 1 345.531 3.376 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001691496460 1405302878 /nfs/dbraw/zinc/30/28/78/1405302878.db2.gz ZPOJTNDFDYVBGS-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001691667588 1405401174 /nfs/dbraw/zinc/40/11/74/1405401174.db2.gz VLLZWKKCGUJFOU-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691793830 1405504042 /nfs/dbraw/zinc/50/40/42/1405504042.db2.gz DGFJBBAEOVSNLV-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904967 1405627848 /nfs/dbraw/zinc/62/78/48/1405627848.db2.gz LSYUNSOLUUPJBB-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691904967 1405627849 /nfs/dbraw/zinc/62/78/49/1405627849.db2.gz LSYUNSOLUUPJBB-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691904967 1405627853 /nfs/dbraw/zinc/62/78/53/1405627853.db2.gz LSYUNSOLUUPJBB-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692076113 1405761541 /nfs/dbraw/zinc/76/15/41/1405761541.db2.gz AIFRSIIHXYROHJ-ZCNNSNEGSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692076113 1405761545 /nfs/dbraw/zinc/76/15/45/1405761545.db2.gz AIFRSIIHXYROHJ-ZCNNSNEGSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692076113 1405761546 /nfs/dbraw/zinc/76/15/46/1405761546.db2.gz AIFRSIIHXYROHJ-ZCNNSNEGSA-N 2 1 349.563 3.079 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692260604 1405889879 /nfs/dbraw/zinc/88/98/79/1405889879.db2.gz JKQPCSSANZTPHC-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692260604 1405889882 /nfs/dbraw/zinc/88/98/82/1405889882.db2.gz JKQPCSSANZTPHC-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276095 1405909819 /nfs/dbraw/zinc/90/98/19/1405909819.db2.gz VIWFFOPVCGBTDD-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276095 1405909824 /nfs/dbraw/zinc/90/98/24/1405909824.db2.gz VIWFFOPVCGBTDD-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276095 1405909828 /nfs/dbraw/zinc/90/98/28/1405909828.db2.gz VIWFFOPVCGBTDD-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698582450 1406195021 /nfs/dbraw/zinc/19/50/21/1406195021.db2.gz RFUHFGKTRGLZGT-UXHICEINSA-N 2 1 349.563 3.221 10 30 EGEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699181881 1412556745 /nfs/dbraw/zinc/55/67/45/1412556745.db2.gz QGDOZGUTEFBSRZ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090897 1413502929 /nfs/dbraw/zinc/50/29/29/1413502929.db2.gz NLHNPQJLQHQERA-XLIONFOSSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700090897 1413502930 /nfs/dbraw/zinc/50/29/30/1413502930.db2.gz NLHNPQJLQHQERA-XLIONFOSSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001700090897 1413502935 /nfs/dbraw/zinc/50/29/35/1413502935.db2.gz NLHNPQJLQHQERA-XLIONFOSSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001700091822 1413505413 /nfs/dbraw/zinc/50/54/13/1413505413.db2.gz PJWVMAGWLBYTOC-PXNSSMCTSA-N 2 1 343.515 3.041 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001700129371 1413544506 /nfs/dbraw/zinc/54/45/06/1413544506.db2.gz VMLXULJVJSSHQG-QZTJIDSGSA-N 2 1 346.519 3.332 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001700320548 1413784569 /nfs/dbraw/zinc/78/45/69/1413784569.db2.gz OXKUJZIJJWYTHM-XLIONFOSSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001700328923 1413802639 /nfs/dbraw/zinc/80/26/39/1413802639.db2.gz FEEGRNREYVZLFE-FQEVSTJZSA-N 2 1 343.515 3.010 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001700352973 1413848979 /nfs/dbraw/zinc/84/89/79/1413848979.db2.gz JIXFDZIVGDUUHP-QZTJIDSGSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001700352973 1413848988 /nfs/dbraw/zinc/84/89/88/1413848988.db2.gz JIXFDZIVGDUUHP-QZTJIDSGSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001700356301 1413858546 /nfs/dbraw/zinc/85/85/46/1413858546.db2.gz GUVVWHHGDUEYND-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001700356301 1413858548 /nfs/dbraw/zinc/85/85/48/1413858548.db2.gz GUVVWHHGDUEYND-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001700356301 1413858550 /nfs/dbraw/zinc/85/85/50/1413858550.db2.gz GUVVWHHGDUEYND-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700692582 1414345151 /nfs/dbraw/zinc/34/51/51/1414345151.db2.gz JIXOBKLJZGGMSX-PKOBYXMFSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692582 1414345158 /nfs/dbraw/zinc/34/51/58/1414345158.db2.gz JIXOBKLJZGGMSX-PKOBYXMFSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692582 1414345159 /nfs/dbraw/zinc/34/51/59/1414345159.db2.gz JIXOBKLJZGGMSX-PKOBYXMFSA-N 2 1 335.536 3.137 10 30 EGEEMP C=C(C)CC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001701049032 1414705852 /nfs/dbraw/zinc/70/58/52/1414705852.db2.gz JASYXYFGNJUDOB-KRWDZBQOSA-N 2 1 344.503 3.111 10 30 EGEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001701049032 1414705854 /nfs/dbraw/zinc/70/58/54/1414705854.db2.gz JASYXYFGNJUDOB-KRWDZBQOSA-N 2 1 344.503 3.111 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001707273305 1417280120 /nfs/dbraw/zinc/28/01/20/1417280120.db2.gz SGYDAJUXNLLJTM-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001707273305 1417280122 /nfs/dbraw/zinc/28/01/22/1417280122.db2.gz SGYDAJUXNLLJTM-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001707273305 1417280124 /nfs/dbraw/zinc/28/01/24/1417280124.db2.gz SGYDAJUXNLLJTM-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001713117252 1417682148 /nfs/dbraw/zinc/68/21/48/1417682148.db2.gz ROWXBPVJSSXAID-UXHICEINSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713133913 1417711631 /nfs/dbraw/zinc/71/16/31/1417711631.db2.gz CMLLIEITYIQOJO-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133913 1417711632 /nfs/dbraw/zinc/71/16/32/1417711632.db2.gz CMLLIEITYIQOJO-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713133913 1417711634 /nfs/dbraw/zinc/71/16/34/1417711634.db2.gz CMLLIEITYIQOJO-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713199361 1417770570 /nfs/dbraw/zinc/77/05/70/1417770570.db2.gz ANNRNHDNZMNRKZ-PNYFIKQUSA-N 2 1 347.547 3.375 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713252463 1417845944 /nfs/dbraw/zinc/84/59/44/1417845944.db2.gz ZOWOSKUCAXESQS-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713252463 1417845948 /nfs/dbraw/zinc/84/59/48/1417845948.db2.gz ZOWOSKUCAXESQS-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713252463 1417845951 /nfs/dbraw/zinc/84/59/51/1417845951.db2.gz ZOWOSKUCAXESQS-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713258015 1417862594 /nfs/dbraw/zinc/86/25/94/1417862594.db2.gz OMSZMBSOICYILV-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713266978 1417876068 /nfs/dbraw/zinc/87/60/68/1417876068.db2.gz OYGRGUNOXKITLU-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713266979 1417876309 /nfs/dbraw/zinc/87/63/09/1417876309.db2.gz OYGRGUNOXKITLU-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713531908 1418280222 /nfs/dbraw/zinc/28/02/22/1418280222.db2.gz JRCJSLKZPUNUDQ-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713531908 1418280225 /nfs/dbraw/zinc/28/02/25/1418280225.db2.gz JRCJSLKZPUNUDQ-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713531908 1418280235 /nfs/dbraw/zinc/28/02/35/1418280235.db2.gz JRCJSLKZPUNUDQ-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561014 1418360375 /nfs/dbraw/zinc/36/03/75/1418360375.db2.gz BFLLLSNLSXNKDJ-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713561014 1418360378 /nfs/dbraw/zinc/36/03/78/1418360378.db2.gz BFLLLSNLSXNKDJ-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001713561014 1418360384 /nfs/dbraw/zinc/36/03/84/1418360384.db2.gz BFLLLSNLSXNKDJ-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001714130255 1418933675 /nfs/dbraw/zinc/93/36/75/1418933675.db2.gz RDTZBKSFZNVMIL-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001714188839 1418995715 /nfs/dbraw/zinc/99/57/15/1418995715.db2.gz OMJXZVXYIFQKPI-FXAWDEMLSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001733202887 1429308791 /nfs/dbraw/zinc/30/87/91/1429308791.db2.gz WBDJZQCBLDLKLB-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714609123 1419368883 /nfs/dbraw/zinc/36/88/83/1419368883.db2.gz AIIFTMAPUAKLMB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714609123 1419368886 /nfs/dbraw/zinc/36/88/86/1419368886.db2.gz AIIFTMAPUAKLMB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714609123 1419368889 /nfs/dbraw/zinc/36/88/89/1419368889.db2.gz AIIFTMAPUAKLMB-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001714912514 1419660418 /nfs/dbraw/zinc/66/04/18/1419660418.db2.gz FVSRNBCBPSBSBY-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001714912514 1419660420 /nfs/dbraw/zinc/66/04/20/1419660420.db2.gz FVSRNBCBPSBSBY-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001714912514 1419660423 /nfs/dbraw/zinc/66/04/23/1419660423.db2.gz FVSRNBCBPSBSBY-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001715207561 1419942164 /nfs/dbraw/zinc/94/21/64/1419942164.db2.gz YYFKXWASZKGNOT-NQIIRXRSSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCCCC1 ZINC001716713870 1420867762 /nfs/dbraw/zinc/86/77/62/1420867762.db2.gz PRCWXKIIGRRCPK-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CCCCCC1 ZINC001716713870 1420867766 /nfs/dbraw/zinc/86/77/66/1420867766.db2.gz PRCWXKIIGRRCPK-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CCCCCC1 ZINC001716713870 1420867769 /nfs/dbraw/zinc/86/77/69/1420867769.db2.gz PRCWXKIIGRRCPK-HXUWFJFHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717112749 1421116244 /nfs/dbraw/zinc/11/62/44/1421116244.db2.gz NHZFLJOEZYLNEM-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717112749 1421116246 /nfs/dbraw/zinc/11/62/46/1421116246.db2.gz NHZFLJOEZYLNEM-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717112749 1421116248 /nfs/dbraw/zinc/11/62/48/1421116248.db2.gz NHZFLJOEZYLNEM-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717365982 1421300912 /nfs/dbraw/zinc/30/09/12/1421300912.db2.gz SWTCRTJFLLGRJP-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717365982 1421300916 /nfs/dbraw/zinc/30/09/16/1421300916.db2.gz SWTCRTJFLLGRJP-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717365982 1421300919 /nfs/dbraw/zinc/30/09/19/1421300919.db2.gz SWTCRTJFLLGRJP-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001717523736 1421459406 /nfs/dbraw/zinc/45/94/06/1421459406.db2.gz CSGKBQQJVQVSGD-GOSISDBHSA-N 2 1 335.536 3.236 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630066 1421539119 /nfs/dbraw/zinc/53/91/19/1421539119.db2.gz CLHLRNVHXZAAEQ-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630066 1421539121 /nfs/dbraw/zinc/53/91/21/1421539121.db2.gz CLHLRNVHXZAAEQ-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001717702543 1421575788 /nfs/dbraw/zinc/57/57/88/1421575788.db2.gz ZPFHXMOSWYPWAL-MSOLQXFVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717702543 1421575789 /nfs/dbraw/zinc/57/57/89/1421575789.db2.gz ZPFHXMOSWYPWAL-MSOLQXFVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001717702543 1421575791 /nfs/dbraw/zinc/57/57/91/1421575791.db2.gz ZPFHXMOSWYPWAL-MSOLQXFVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723937808 1424608553 /nfs/dbraw/zinc/60/85/53/1424608553.db2.gz OOJDVXXLVNASCK-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001724601161 1424931845 /nfs/dbraw/zinc/93/18/45/1424931845.db2.gz FWXQZQBCRIVHLB-YSTOQKLRSA-N 2 1 347.547 3.186 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652448 1425013384 /nfs/dbraw/zinc/01/33/84/1425013384.db2.gz FPYDAUDSYSAKJR-OALUTQOASA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001724707274 1425063853 /nfs/dbraw/zinc/06/38/53/1425063853.db2.gz JMMMRLLVBWHOCO-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843824 1425193244 /nfs/dbraw/zinc/19/32/44/1425193244.db2.gz LUFBGNVEOGBPBB-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001724892913 1425282129 /nfs/dbraw/zinc/28/21/29/1425282129.db2.gz QFESXUFDOIAJER-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724974127 1425376501 /nfs/dbraw/zinc/37/65/01/1425376501.db2.gz MXSDUTKXWQEULZ-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001725290674 1425934349 /nfs/dbraw/zinc/93/43/49/1425934349.db2.gz CZMLEORHUSIXAQ-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830520 1426508816 /nfs/dbraw/zinc/50/88/16/1426508816.db2.gz SAOLJXKGYICHII-ICSRJNTNSA-N 2 1 347.547 3.210 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731716844 1427781262 /nfs/dbraw/zinc/78/12/62/1427781262.db2.gz ZVDJNPZQHRFRCT-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731761649 1427866126 /nfs/dbraw/zinc/86/61/26/1427866126.db2.gz WDPSCCOIFJMIDV-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001733682846 1429896846 /nfs/dbraw/zinc/89/68/46/1429896846.db2.gz AHWDZTCIMBSIQP-QZTJIDSGSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782349 1430048651 /nfs/dbraw/zinc/04/86/51/1430048651.db2.gz GOLIYAXGMMXEKA-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001734018894 1437808386 /nfs/dbraw/zinc/80/83/86/1437808386.db2.gz COQCUKGPPFRCJU-UHFFFAOYSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001734099552 1437884178 /nfs/dbraw/zinc/88/41/78/1437884178.db2.gz LZHPOGZJQYPTJP-ZWKOTPCHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001734099552 1437884180 /nfs/dbraw/zinc/88/41/80/1437884180.db2.gz LZHPOGZJQYPTJP-ZWKOTPCHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734299882 1438031390 /nfs/dbraw/zinc/03/13/90/1438031390.db2.gz FEYWWONCSACADC-UYAOXDASSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734456653 1438113886 /nfs/dbraw/zinc/11/38/86/1438113886.db2.gz HKDBOZSVLUAOAZ-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001734626695 1438191506 /nfs/dbraw/zinc/19/15/06/1438191506.db2.gz VJNOXRSKVFECPT-HXUWFJFHSA-N 2 1 347.547 3.047 10 30 EGEEMP CCC[N@H+](CCCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198070 454946570 /nfs/dbraw/zinc/94/65/70/454946570.db2.gz ZAUONUKGOCOOCB-UHFFFAOYSA-N 2 1 329.492 3.468 10 30 EGEEMP CCC[N@@H+](CCCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198070 454946574 /nfs/dbraw/zinc/94/65/74/454946574.db2.gz ZAUONUKGOCOOCB-UHFFFAOYSA-N 2 1 329.492 3.468 10 30 EGEEMP COCC[N@@H+](C)CCCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192140412 455563449 /nfs/dbraw/zinc/56/34/49/455563449.db2.gz UICDZQMUZLQZIG-UHFFFAOYSA-N 2 1 328.500 3.109 10 30 EGEEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291868 455940893 /nfs/dbraw/zinc/94/08/93/455940893.db2.gz FKAPKDINTJDQNM-GOSISDBHSA-N 2 1 338.430 3.046 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415033842 458327492 /nfs/dbraw/zinc/32/74/92/458327492.db2.gz CCKIIGYWWNAHJC-ROUUACIJSA-N 2 1 330.472 3.224 10 30 EGEEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509981 /nfs/dbraw/zinc/50/99/81/458509981.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 1 337.414 3.322 10 30 EGEEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583114146 459485512 /nfs/dbraw/zinc/48/55/12/459485512.db2.gz XDOQHQHGZOUHCC-AWEZNQCLSA-N 2 1 325.378 3.397 10 30 EGEEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000583114146 459485516 /nfs/dbraw/zinc/48/55/16/459485516.db2.gz XDOQHQHGZOUHCC-AWEZNQCLSA-N 2 1 325.378 3.397 10 30 EGEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000615798560 460393669 /nfs/dbraw/zinc/39/36/69/460393669.db2.gz DQGOQDWGDZEPFL-LFUKPOHLSA-N 2 1 334.467 3.199 10 30 EGEEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000615798560 460393675 /nfs/dbraw/zinc/39/36/75/460393675.db2.gz DQGOQDWGDZEPFL-LFUKPOHLSA-N 2 1 334.467 3.199 10 30 EGEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142000 462405166 /nfs/dbraw/zinc/40/51/66/462405166.db2.gz YDSOOHPQZGCEGM-HKBOAZHASA-N 2 1 328.500 3.478 10 30 EGEEMP C=CCc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1O ZINC000873223448 1297365054 /nfs/dbraw/zinc/36/50/54/1297365054.db2.gz NPAXSWFUFVQYKS-HXUWFJFHSA-N 2 1 332.488 3.326 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737710 1298950199 /nfs/dbraw/zinc/95/01/99/1298950199.db2.gz WEBHHCUDYIVTQU-JQHSSLGASA-N 2 1 349.906 3.140 10 30 EGEEMP 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ZINC001317041986 1384815256 /nfs/dbraw/zinc/81/52/56/1384815256.db2.gz XJYXEFNFYXOMED-LJQANCHMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445882 1385146235 /nfs/dbraw/zinc/14/62/35/1385146235.db2.gz MKZSNKIYUCIGBR-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317445882 1385146237 /nfs/dbraw/zinc/14/62/37/1385146237.db2.gz MKZSNKIYUCIGBR-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317445882 1385146239 /nfs/dbraw/zinc/14/62/39/1385146239.db2.gz MKZSNKIYUCIGBR-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317687200 1385398800 /nfs/dbraw/zinc/39/88/00/1385398800.db2.gz QSCSOMULMAUDGK-HKUYNNGSSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001318959596 1385897695 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337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001330244580 1389362737 /nfs/dbraw/zinc/36/27/37/1389362737.db2.gz NBHDLJMDSRHMKK-QZTJIDSGSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001330244580 1389362739 /nfs/dbraw/zinc/36/27/39/1389362739.db2.gz NBHDLJMDSRHMKK-QZTJIDSGSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001479747628 1392364299 /nfs/dbraw/zinc/36/42/99/1392364299.db2.gz CMAAPUXVIWDBBO-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747628 1392364302 /nfs/dbraw/zinc/36/43/02/1392364302.db2.gz CMAAPUXVIWDBBO-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747628 1392364304 /nfs/dbraw/zinc/36/43/04/1392364304.db2.gz CMAAPUXVIWDBBO-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480319822 1392680408 /nfs/dbraw/zinc/68/04/08/1392680408.db2.gz RDKBLMAKEUWTMU-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480319822 1392680410 /nfs/dbraw/zinc/68/04/10/1392680410.db2.gz RDKBLMAKEUWTMU-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480319822 1392680412 /nfs/dbraw/zinc/68/04/12/1392680412.db2.gz RDKBLMAKEUWTMU-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001480404989 1392742720 /nfs/dbraw/zinc/74/27/20/1392742720.db2.gz KSEFKWRWTVZDKU-CTWPCTMYSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001482409583 1394974632 /nfs/dbraw/zinc/97/46/32/1394974632.db2.gz OLMGPJIEWZYRON-IHPCNDPISA-N 2 1 349.563 3.338 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001482410865 1394975276 /nfs/dbraw/zinc/97/52/76/1394975276.db2.gz QOJUBRIFUVWDNL-MOPGFXCFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001482423059 1394984658 /nfs/dbraw/zinc/98/46/58/1394984658.db2.gz IHWFTMFFMYWGPC-MJGOQNOKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482452575 1395011249 /nfs/dbraw/zinc/01/12/49/1395011249.db2.gz FIYIYCXOBHZHMA-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484981267 1395622051 /nfs/dbraw/zinc/62/20/51/1395622051.db2.gz NDSUJOUHMRGNAO-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573609 1396040706 /nfs/dbraw/zinc/04/07/06/1396040706.db2.gz CYAFANBUHZUKQO-DLBZAZTESA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001699008406 1406834559 /nfs/dbraw/zinc/83/45/59/1406834559.db2.gz IVNXSDPAHPLLNL-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001689265179 1396997111 /nfs/dbraw/zinc/99/71/11/1396997111.db2.gz PKJQTYFVWPCUHU-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001690473486 1404596845 /nfs/dbraw/zinc/59/68/45/1404596845.db2.gz WROFRYNXGLVDPR-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001725641143 1426319918 /nfs/dbraw/zinc/31/99/18/1426319918.db2.gz XWFKWZNGSPCEMD-QZTJIDSGSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725748821 1426426999 /nfs/dbraw/zinc/42/69/99/1426426999.db2.gz DBUBCBOIDVSPRR-QZTJIDSGSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001691784500 1405493081 /nfs/dbraw/zinc/49/30/81/1405493081.db2.gz DKXLCMJHKUQJQK-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001691784500 1405493082 /nfs/dbraw/zinc/49/30/82/1405493082.db2.gz DKXLCMJHKUQJQK-ROUUACIJSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001691823692 1405540397 /nfs/dbraw/zinc/54/03/97/1405540397.db2.gz VKDDVFIPXUOOQE-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001692124764 1405786113 /nfs/dbraw/zinc/78/61/13/1405786113.db2.gz PPLFDGAZKZGUOM-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001692339818 1405958958 /nfs/dbraw/zinc/95/89/58/1405958958.db2.gz AJBKVIKMSKEUKN-OALUTQOASA-N 2 1 335.536 3.022 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001699605360 1412968633 /nfs/dbraw/zinc/96/86/33/1412968633.db2.gz NRICAYRVTPRSPG-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001699605363 1412969278 /nfs/dbraw/zinc/96/92/78/1412969278.db2.gz NRICAYRVTPRSPG-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001700253123 1413701778 /nfs/dbraw/zinc/70/17/78/1413701778.db2.gz ZDYQOFUBIPRKSI-KRWDZBQOSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001700340998 1413821450 /nfs/dbraw/zinc/82/14/50/1413821450.db2.gz GPTJMGOJBXBQQZ-LJQANCHMSA-N 2 1 337.552 3.099 10 30 EGEEMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573285 1414244502 /nfs/dbraw/zinc/24/45/02/1414244502.db2.gz UGVMBJHCWOCLPC-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573285 1414244507 /nfs/dbraw/zinc/24/45/07/1414244507.db2.gz UGVMBJHCWOCLPC-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573285 1414244513 /nfs/dbraw/zinc/24/45/13/1414244513.db2.gz UGVMBJHCWOCLPC-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700620849 1414289807 /nfs/dbraw/zinc/28/98/07/1414289807.db2.gz AJIDUGWNLGMSAM-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001700865261 1414516398 /nfs/dbraw/zinc/51/63/98/1414516398.db2.gz JRCUSIMCSKGBMH-WERVVEIQSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001700865261 1414516400 /nfs/dbraw/zinc/51/64/00/1414516400.db2.gz JRCUSIMCSKGBMH-WERVVEIQSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001700865261 1414516405 /nfs/dbraw/zinc/51/64/05/1414516405.db2.gz JRCUSIMCSKGBMH-WERVVEIQSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865263 1414516890 /nfs/dbraw/zinc/51/68/90/1414516890.db2.gz JRCUSIMCSKGBMH-XCJLJZCSSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865263 1414516891 /nfs/dbraw/zinc/51/68/91/1414516891.db2.gz JRCUSIMCSKGBMH-XCJLJZCSSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865263 1414516893 /nfs/dbraw/zinc/51/68/93/1414516893.db2.gz JRCUSIMCSKGBMH-XCJLJZCSSA-N 2 1 349.563 3.410 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713134287 1417712424 /nfs/dbraw/zinc/71/24/24/1417712424.db2.gz KXVLCWIHLMJANE-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001713399923 1418020968 /nfs/dbraw/zinc/02/09/68/1418020968.db2.gz WGUSLXWXIVUEMV-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001713399923 1418020972 /nfs/dbraw/zinc/02/09/72/1418020972.db2.gz WGUSLXWXIVUEMV-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001713399923 1418020975 /nfs/dbraw/zinc/02/09/75/1418020975.db2.gz WGUSLXWXIVUEMV-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713432170 1418060584 /nfs/dbraw/zinc/06/05/84/1418060584.db2.gz XDVCOLUEBLHREJ-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689322 1418443051 /nfs/dbraw/zinc/44/30/51/1418443051.db2.gz BSALXOUOGRFNAW-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001713689322 1418443053 /nfs/dbraw/zinc/44/30/53/1418443053.db2.gz BSALXOUOGRFNAW-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001713689322 1418443054 /nfs/dbraw/zinc/44/30/54/1418443054.db2.gz BSALXOUOGRFNAW-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001713718550 1418486928 /nfs/dbraw/zinc/48/69/28/1418486928.db2.gz JHJYDASNAJBIAC-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001713718550 1418486930 /nfs/dbraw/zinc/48/69/30/1418486930.db2.gz JHJYDASNAJBIAC-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713718550 1418486932 /nfs/dbraw/zinc/48/69/32/1418486932.db2.gz JHJYDASNAJBIAC-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713952659 1418736192 /nfs/dbraw/zinc/73/61/92/1418736192.db2.gz LWMWTBHFHSLDSU-ULQDDVLXSA-N 2 1 335.536 3.231 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714001007 1418780974 /nfs/dbraw/zinc/78/09/74/1418780974.db2.gz NYTTZZSJUBCITJ-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001714001007 1418780982 /nfs/dbraw/zinc/78/09/82/1418780982.db2.gz NYTTZZSJUBCITJ-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714001007 1418780983 /nfs/dbraw/zinc/78/09/83/1418780983.db2.gz NYTTZZSJUBCITJ-CEXWTWQISA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001714199951 1419004506 /nfs/dbraw/zinc/00/45/06/1419004506.db2.gz JJTQLGREQRLEMH-UHFFFAOYSA-N 2 1 343.515 3.102 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001714199951 1419004511 /nfs/dbraw/zinc/00/45/11/1419004511.db2.gz JJTQLGREQRLEMH-UHFFFAOYSA-N 2 1 343.515 3.102 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714813822 1419524934 /nfs/dbraw/zinc/52/49/34/1419524934.db2.gz IENRWAOZVRJWJP-XLIONFOSSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001714817261 1419527516 /nfs/dbraw/zinc/52/75/16/1419527516.db2.gz HNPUWOARKWRFAR-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714979355 1419713791 /nfs/dbraw/zinc/71/37/91/1419713791.db2.gz RNWGAFYCXUOLMY-OALUTQOASA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001715184839 1419917779 /nfs/dbraw/zinc/91/77/79/1419917779.db2.gz YAVDYQQFMKYWJR-QAQDUYKDSA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715485710 1420166343 /nfs/dbraw/zinc/16/63/43/1420166343.db2.gz YHIUYHIUKNUHCJ-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001715498761 1420180330 /nfs/dbraw/zinc/18/03/30/1420180330.db2.gz OOXYJHXSQVFSCR-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001715498761 1420180332 /nfs/dbraw/zinc/18/03/32/1420180332.db2.gz OOXYJHXSQVFSCR-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001715498761 1420180334 /nfs/dbraw/zinc/18/03/34/1420180334.db2.gz OOXYJHXSQVFSCR-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716063630 1420523049 /nfs/dbraw/zinc/52/30/49/1420523049.db2.gz PLKYRUWGTWEQHJ-SJLPKXTDSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704646 1420859148 /nfs/dbraw/zinc/85/91/48/1420859148.db2.gz YNTOSFYSISNXEP-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716877150 1421002563 /nfs/dbraw/zinc/00/25/63/1421002563.db2.gz XEJZXGBRAVAQKU-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001716895883 1421023267 /nfs/dbraw/zinc/02/32/67/1421023267.db2.gz NKCYIFYXGOVMJH-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001716895883 1421023270 /nfs/dbraw/zinc/02/32/70/1421023270.db2.gz NKCYIFYXGOVMJH-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001716895883 1421023272 /nfs/dbraw/zinc/02/32/72/1421023272.db2.gz NKCYIFYXGOVMJH-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716966208 1421055165 /nfs/dbraw/zinc/05/51/65/1421055165.db2.gz NXMBTELJOGBRIK-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246504 1421217203 /nfs/dbraw/zinc/21/72/03/1421217203.db2.gz NMJILLPFJWIIGU-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001717246504 1421217205 /nfs/dbraw/zinc/21/72/05/1421217205.db2.gz NMJILLPFJWIIGU-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001717246504 1421217207 /nfs/dbraw/zinc/21/72/07/1421217207.db2.gz NMJILLPFJWIIGU-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269298 1421224967 /nfs/dbraw/zinc/22/49/67/1421224967.db2.gz INJWNPLJRRCEEQ-UZLBHIALSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001717269298 1421224969 /nfs/dbraw/zinc/22/49/69/1421224969.db2.gz INJWNPLJRRCEEQ-UZLBHIALSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001717269298 1421224972 /nfs/dbraw/zinc/22/49/72/1421224972.db2.gz INJWNPLJRRCEEQ-UZLBHIALSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717583053 1421509402 /nfs/dbraw/zinc/50/94/02/1421509402.db2.gz VNRZOKCRPFPASZ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583053 1421509404 /nfs/dbraw/zinc/50/94/04/1421509404.db2.gz VNRZOKCRPFPASZ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583053 1421509406 /nfs/dbraw/zinc/50/94/06/1421509406.db2.gz VNRZOKCRPFPASZ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589102 1421518292 /nfs/dbraw/zinc/51/82/92/1421518292.db2.gz LXSBNEXXHSVVCT-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717669036 1421558766 /nfs/dbraw/zinc/55/87/66/1421558766.db2.gz NQAMLTRBDHYSHU-QZTJIDSGSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717669035 1421558893 /nfs/dbraw/zinc/55/88/93/1421558893.db2.gz NQAMLTRBDHYSHU-MSOLQXFVSA-N 2 1 335.536 3.092 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723718487 1424544649 /nfs/dbraw/zinc/54/46/49/1424544649.db2.gz KQSLYFIQLVTFNU-HXUWFJFHSA-N 2 1 349.563 3.366 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001723874502 1424594353 /nfs/dbraw/zinc/59/43/53/1424594353.db2.gz ILPZMQJFZWPSLD-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001723874502 1424594359 /nfs/dbraw/zinc/59/43/59/1424594359.db2.gz ILPZMQJFZWPSLD-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP CCCCCCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001724026630 1424634133 /nfs/dbraw/zinc/63/41/33/1424634133.db2.gz ZAPUBJVXRKJHLN-UHFFFAOYSA-N 2 1 334.508 3.133 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001724126992 1424678063 /nfs/dbraw/zinc/67/80/63/1424678063.db2.gz ZXEMKAQTGGFUQV-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126992 1424678065 /nfs/dbraw/zinc/67/80/65/1424678065.db2.gz ZXEMKAQTGGFUQV-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126992 1424678067 /nfs/dbraw/zinc/67/80/67/1424678067.db2.gz ZXEMKAQTGGFUQV-FPOVZHCZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001724294356 1424779284 /nfs/dbraw/zinc/77/92/84/1424779284.db2.gz MBYQUHUFNJXZOW-IBGZPJMESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001724900542 1425295481 /nfs/dbraw/zinc/29/54/81/1425295481.db2.gz TZKBOVDSAICMHS-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724900542 1425295485 /nfs/dbraw/zinc/29/54/85/1425295485.db2.gz TZKBOVDSAICMHS-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724900542 1425295486 /nfs/dbraw/zinc/29/54/86/1425295486.db2.gz TZKBOVDSAICMHS-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001725130707 1425600101 /nfs/dbraw/zinc/60/01/01/1425600101.db2.gz OAASAVZCQACAAI-AOCRQIFASA-N 2 1 346.519 3.332 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001731387894 1427336309 /nfs/dbraw/zinc/33/63/09/1427336309.db2.gz PMIBMWMGRNPVBS-UHFFFAOYSA-N 2 1 346.519 3.251 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001731517594 1427505716 /nfs/dbraw/zinc/50/57/16/1427505716.db2.gz DBEZMSKUSBHRJA-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731560488 1427595742 /nfs/dbraw/zinc/59/57/42/1427595742.db2.gz UZJZBKWKCNCUCF-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560488 1427595749 /nfs/dbraw/zinc/59/57/49/1427595749.db2.gz UZJZBKWKCNCUCF-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731560488 1427595752 /nfs/dbraw/zinc/59/57/52/1427595752.db2.gz UZJZBKWKCNCUCF-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835569 1428051316 /nfs/dbraw/zinc/05/13/16/1428051316.db2.gz SDYBBVVXKXNJDZ-FXAWDEMLSA-N 2 1 343.515 3.297 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599012 1429798734 /nfs/dbraw/zinc/79/87/34/1429798734.db2.gz BDLLWOBQOWZPGM-OALUTQOASA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599012 1429798735 /nfs/dbraw/zinc/79/87/35/1429798735.db2.gz BDLLWOBQOWZPGM-OALUTQOASA-N 2 1 346.519 3.227 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733659984 1429852515 /nfs/dbraw/zinc/85/25/15/1429852515.db2.gz SYIVXNDSPSHZLN-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001733877987 1437705622 /nfs/dbraw/zinc/70/56/22/1437705622.db2.gz GJHFBOYUDBJWJO-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877987 1437705623 /nfs/dbraw/zinc/70/56/23/1437705623.db2.gz GJHFBOYUDBJWJO-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001733877987 1437705629 /nfs/dbraw/zinc/70/56/29/1437705629.db2.gz GJHFBOYUDBJWJO-OALUTQOASA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001734304570 1438035564 /nfs/dbraw/zinc/03/55/64/1438035564.db2.gz KXDLCYKOQSUBHN-WOJBJXKFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001734494068 1438131620 /nfs/dbraw/zinc/13/16/20/1438131620.db2.gz NWXYJZNZYMINHJ-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)[nH+]1 ZINC000171648799 227197188 /nfs/dbraw/zinc/19/71/88/227197188.db2.gz SWYWLOUTIUGXNX-SFHVURJKSA-N 2 1 336.439 3.075 10 30 EGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)[nH+]1 ZINC000171648799 227197190 /nfs/dbraw/zinc/19/71/90/227197190.db2.gz SWYWLOUTIUGXNX-SFHVURJKSA-N 2 1 336.439 3.075 10 30 EGEEMP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492306704 459699790 /nfs/dbraw/zinc/69/97/90/459699790.db2.gz CKZQKOBUVXZGCB-NQIIRXRSSA-N 2 1 349.478 3.437 10 30 EGEEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528403096 459805620 /nfs/dbraw/zinc/80/56/20/459805620.db2.gz IGEKVPPPDWXWGD-PKOBYXMFSA-N 2 1 333.520 3.018 10 30 EGEEMP C[C@@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000859358504 1328974959 /nfs/dbraw/zinc/97/49/59/1328974959.db2.gz GVNILAQFBNTWMY-ROUUACIJSA-N 2 1 332.568 3.166 10 30 EGEEMP C[C@]12C[NH+](CCCSCC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931216478 1329072635 /nfs/dbraw/zinc/07/26/35/1329072635.db2.gz HKMWKDVZXKHAGM-BGYRXZFFSA-N 2 1 343.540 3.477 10 30 EGEEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCSCC#N)C2 ZINC000931216478 1329072625 /nfs/dbraw/zinc/07/26/25/1329072625.db2.gz HKMWKDVZXKHAGM-BGYRXZFFSA-N 2 1 343.540 3.477 10 30 EGEEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCSCC#N)C2 ZINC000931216478 1329072629 /nfs/dbraw/zinc/07/26/29/1329072629.db2.gz HKMWKDVZXKHAGM-BGYRXZFFSA-N 2 1 343.540 3.477 10 30 EGEEMP C[C@]12C[NH+](CCCSCC#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931216478 1329072631 /nfs/dbraw/zinc/07/26/31/1329072631.db2.gz HKMWKDVZXKHAGM-BGYRXZFFSA-N 2 1 343.540 3.477 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940786342 1331193450 /nfs/dbraw/zinc/19/34/50/1331193450.db2.gz VDCUQNJARBPENY-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786342 1331193456 /nfs/dbraw/zinc/19/34/56/1331193456.db2.gz VDCUQNJARBPENY-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786342 1331193458 /nfs/dbraw/zinc/19/34/58/1331193458.db2.gz VDCUQNJARBPENY-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001324517366 1387658297 /nfs/dbraw/zinc/65/82/97/1387658297.db2.gz GRHCBSLXKATXSM-UXHICEINSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001324775051 1387768331 /nfs/dbraw/zinc/76/83/31/1387768331.db2.gz GXKJOVXNZNRXPU-FPOVZHCZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001324945309 1387842649 /nfs/dbraw/zinc/84/26/49/1387842649.db2.gz YFLIAMCSLBMJNB-OAQYLSRUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001324945309 1387842653 /nfs/dbraw/zinc/84/26/53/1387842653.db2.gz YFLIAMCSLBMJNB-OAQYLSRUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001324945309 1387842659 /nfs/dbraw/zinc/84/26/59/1387842659.db2.gz YFLIAMCSLBMJNB-OAQYLSRUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C1CCC(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001203603878 1370184881 /nfs/dbraw/zinc/18/48/81/1370184881.db2.gz YAPVXGSBWJOJRD-UHFFFAOYSA-N 2 1 331.479 3.414 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H](NCc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742322 1371397528 /nfs/dbraw/zinc/39/75/28/1371397528.db2.gz ILOIVLRZTBRDLM-BEFAXECRSA-N 2 1 349.906 3.438 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742322 1371397536 /nfs/dbraw/zinc/39/75/36/1371397536.db2.gz ILOIVLRZTBRDLM-BEFAXECRSA-N 2 1 349.906 3.438 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001326468121 1388203707 /nfs/dbraw/zinc/20/37/07/1388203707.db2.gz KCPMVEVDMACXTE-FFZOFVMBSA-N 2 1 343.515 3.260 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001327299952 1388491722 /nfs/dbraw/zinc/49/17/22/1388491722.db2.gz RMBMRNPFYKZDLZ-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299952 1388491725 /nfs/dbraw/zinc/49/17/25/1388491725.db2.gz RMBMRNPFYKZDLZ-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299952 1388491728 /nfs/dbraw/zinc/49/17/28/1388491728.db2.gz RMBMRNPFYKZDLZ-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001327299954 1388492127 /nfs/dbraw/zinc/49/21/27/1388492127.db2.gz RMBMRNPFYKZDLZ-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299954 1388492130 /nfs/dbraw/zinc/49/21/30/1388492130.db2.gz RMBMRNPFYKZDLZ-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001327299954 1388492133 /nfs/dbraw/zinc/49/21/33/1388492133.db2.gz RMBMRNPFYKZDLZ-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266659315 1377362035 /nfs/dbraw/zinc/36/20/35/1377362035.db2.gz NPVZILRNEQVLLJ-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266659315 1377362036 /nfs/dbraw/zinc/36/20/36/1377362036.db2.gz NPVZILRNEQVLLJ-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266659315 1377362039 /nfs/dbraw/zinc/36/20/39/1377362039.db2.gz NPVZILRNEQVLLJ-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266877227 1377398700 /nfs/dbraw/zinc/39/87/00/1377398700.db2.gz JBTUPNMNTSKDDF-RBUKOAKNSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516160 1377450455 /nfs/dbraw/zinc/45/04/55/1377450455.db2.gz AFWACPSDISWDOB-XLIONFOSSA-N 2 1 343.515 3.085 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279574754 1378312085 /nfs/dbraw/zinc/31/20/85/1378312085.db2.gz BCLBTLVSFMKHER-AQNXPRMDSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574754 1378312090 /nfs/dbraw/zinc/31/20/90/1378312090.db2.gz BCLBTLVSFMKHER-AQNXPRMDSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574754 1378312096 /nfs/dbraw/zinc/31/20/96/1378312096.db2.gz BCLBTLVSFMKHER-AQNXPRMDSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001327529437 1388550672 /nfs/dbraw/zinc/55/06/72/1388550672.db2.gz HYBATIOHVHSHJH-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001327529437 1388550674 /nfs/dbraw/zinc/55/06/74/1388550674.db2.gz HYBATIOHVHSHJH-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001327529437 1388550678 /nfs/dbraw/zinc/55/06/78/1388550678.db2.gz HYBATIOHVHSHJH-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001282683375 1378556483 /nfs/dbraw/zinc/55/64/83/1378556483.db2.gz WLYNCDILZKDNKT-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001282683375 1378556488 /nfs/dbraw/zinc/55/64/88/1378556488.db2.gz WLYNCDILZKDNKT-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001282683375 1378556493 /nfs/dbraw/zinc/55/64/93/1378556493.db2.gz WLYNCDILZKDNKT-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001282683375 1378556498 /nfs/dbraw/zinc/55/64/98/1378556498.db2.gz WLYNCDILZKDNKT-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001282683370 1378556574 /nfs/dbraw/zinc/55/65/74/1378556574.db2.gz WLYNCDILZKDNKT-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001282683370 1378556579 /nfs/dbraw/zinc/55/65/79/1378556579.db2.gz WLYNCDILZKDNKT-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001282683370 1378556583 /nfs/dbraw/zinc/55/65/83/1378556583.db2.gz WLYNCDILZKDNKT-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001282683370 1378556588 /nfs/dbraw/zinc/55/65/88/1378556588.db2.gz WLYNCDILZKDNKT-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001284536325 1379943178 /nfs/dbraw/zinc/94/31/78/1379943178.db2.gz HYMOWQKKHHBSHN-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001284536325 1379943179 /nfs/dbraw/zinc/94/31/79/1379943179.db2.gz HYMOWQKKHHBSHN-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001284536325 1379943180 /nfs/dbraw/zinc/94/31/80/1379943180.db2.gz HYMOWQKKHHBSHN-RBUKOAKNSA-N 2 1 335.536 3.138 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001328283771 1388714202 /nfs/dbraw/zinc/71/42/02/1388714202.db2.gz MFQSMNRXHYLKOG-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001328283771 1388714206 /nfs/dbraw/zinc/71/42/06/1388714206.db2.gz MFQSMNRXHYLKOG-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328586451 1388781929 /nfs/dbraw/zinc/78/19/29/1388781929.db2.gz CECZSODXOSPCAY-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308420700 1384124911 /nfs/dbraw/zinc/12/49/11/1384124911.db2.gz KFUSZIFYCISSPP-UHFFFAOYSA-N 2 1 331.460 3.078 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308420700 1384124912 /nfs/dbraw/zinc/12/49/12/1384124912.db2.gz KFUSZIFYCISSPP-UHFFFAOYSA-N 2 1 331.460 3.078 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001316811707 1384609381 /nfs/dbraw/zinc/60/93/81/1384609381.db2.gz OIXZYFRYJAVCHS-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001316877560 1384661822 /nfs/dbraw/zinc/66/18/22/1384661822.db2.gz DMOHNMNDHCIZJH-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001316877560 1384661827 /nfs/dbraw/zinc/66/18/27/1384661827.db2.gz DMOHNMNDHCIZJH-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001317688327 1385400152 /nfs/dbraw/zinc/40/01/52/1385400152.db2.gz WOFNCYZMVOBJLF-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317876606 1385555772 /nfs/dbraw/zinc/55/57/72/1385555772.db2.gz KMALHUASSOPUMO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001317876606 1385555776 /nfs/dbraw/zinc/55/57/76/1385555776.db2.gz KMALHUASSOPUMO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001317876606 1385555780 /nfs/dbraw/zinc/55/57/80/1385555780.db2.gz KMALHUASSOPUMO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001318966623 1385901547 /nfs/dbraw/zinc/90/15/47/1385901547.db2.gz VQFDKFVNPNSHDW-UAFMIMERSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991124 1385914222 /nfs/dbraw/zinc/91/42/22/1385914222.db2.gz PRWGXRFXZICPOM-SQGPQFPESA-N 2 1 343.515 3.087 10 30 EGEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319818759 1386314779 /nfs/dbraw/zinc/31/47/79/1386314779.db2.gz QQTQWSQARVAWLE-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001479725642 1392339369 /nfs/dbraw/zinc/33/93/69/1392339369.db2.gz RCNXQJKDIGPZHS-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001479725642 1392339373 /nfs/dbraw/zinc/33/93/73/1392339373.db2.gz RCNXQJKDIGPZHS-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001479725642 1392339376 /nfs/dbraw/zinc/33/93/76/1392339376.db2.gz RCNXQJKDIGPZHS-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001479725642 1392339378 /nfs/dbraw/zinc/33/93/78/1392339378.db2.gz RCNXQJKDIGPZHS-HOJAQTOUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001479737839 1392349425 /nfs/dbraw/zinc/34/94/25/1392349425.db2.gz OFDORUONAFWJMH-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479737839 1392349430 /nfs/dbraw/zinc/34/94/30/1392349430.db2.gz OFDORUONAFWJMH-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479737839 1392349432 /nfs/dbraw/zinc/34/94/32/1392349432.db2.gz OFDORUONAFWJMH-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480077762 1392567544 /nfs/dbraw/zinc/56/75/44/1392567544.db2.gz PKSDINFNOQGNPS-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087579 1392577084 /nfs/dbraw/zinc/57/70/84/1392577084.db2.gz OJFJPISAGGISEV-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272711 1392655962 /nfs/dbraw/zinc/65/59/62/1392655962.db2.gz YJUGDICZZDRDRS-WOJBJXKFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001698871610 1406591153 /nfs/dbraw/zinc/59/11/53/1406591153.db2.gz OZPMRYDCOQNMET-AZUAARDMSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829239 1392968360 /nfs/dbraw/zinc/96/83/60/1392968360.db2.gz GWNXCZHUXJSCNW-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCCC1 ZINC001482406391 1394969575 /nfs/dbraw/zinc/96/95/75/1394969575.db2.gz PTENSBOSSYTVJJ-IBGZPJMESA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001484322154 1395340451 /nfs/dbraw/zinc/34/04/51/1395340451.db2.gz BMNLYXMHTIBUQL-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827642 1395564618 /nfs/dbraw/zinc/56/46/18/1395564618.db2.gz RIMPAJUVJJPEGF-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493832092 1396343590 /nfs/dbraw/zinc/34/35/90/1396343590.db2.gz WVCJZTFULLAFFQ-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842882 1396499158 /nfs/dbraw/zinc/49/91/58/1396499158.db2.gz VCWLVAZOEKPXLI-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494842882 1396499159 /nfs/dbraw/zinc/49/91/59/1396499159.db2.gz VCWLVAZOEKPXLI-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001494842882 1396499161 /nfs/dbraw/zinc/49/91/61/1396499161.db2.gz VCWLVAZOEKPXLI-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCCCC)C1 ZINC001689262505 1396995932 /nfs/dbraw/zinc/99/59/32/1396995932.db2.gz SBTZARQKIHHBIF-PMACEKPBSA-N 2 1 347.547 3.025 10 30 EGEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCCCC)C1 ZINC001689262505 1396995935 /nfs/dbraw/zinc/99/59/35/1396995935.db2.gz SBTZARQKIHHBIF-PMACEKPBSA-N 2 1 347.547 3.025 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690501717 1404614696 /nfs/dbraw/zinc/61/46/96/1404614696.db2.gz OOKIPCUSRAGVSZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501717 1404614698 /nfs/dbraw/zinc/61/46/98/1404614698.db2.gz OOKIPCUSRAGVSZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690501717 1404614704 /nfs/dbraw/zinc/61/47/04/1404614704.db2.gz OOKIPCUSRAGVSZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001725748444 1426426708 /nfs/dbraw/zinc/42/67/08/1426426708.db2.gz ALIGDZAWUHMTJN-MOPGFXCFSA-N 2 1 345.531 3.376 10 30 EGEEMP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001691671638 1405406531 /nfs/dbraw/zinc/40/65/31/1405406531.db2.gz KVJAMDHPSDQBAF-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001691736526 1405458724 /nfs/dbraw/zinc/45/87/24/1405458724.db2.gz VYUNIBIUMKGVCB-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691899269 1405622050 /nfs/dbraw/zinc/62/20/50/1405622050.db2.gz RBPBNJHAAOPTOP-VAMGGRTRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001732322104 1428531492 /nfs/dbraw/zinc/53/14/92/1428531492.db2.gz YWYPMLVYKZQFOB-KRWDZBQOSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001699684738 1413081067 /nfs/dbraw/zinc/08/10/67/1413081067.db2.gz PHPJYAFIKIMAQI-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001699684738 1413081071 /nfs/dbraw/zinc/08/10/71/1413081071.db2.gz PHPJYAFIKIMAQI-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001699684738 1413081073 /nfs/dbraw/zinc/08/10/73/1413081073.db2.gz PHPJYAFIKIMAQI-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001699879752 1413345785 /nfs/dbraw/zinc/34/57/85/1413345785.db2.gz XISYWVYWHHKFMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699879752 1413345789 /nfs/dbraw/zinc/34/57/89/1413345789.db2.gz XISYWVYWHHKFMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699879752 1413345794 /nfs/dbraw/zinc/34/57/94/1413345794.db2.gz XISYWVYWHHKFMV-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001700011071 1413453219 /nfs/dbraw/zinc/45/32/19/1413453219.db2.gz GJEXDFUBNSJHLE-OTWHNJEPSA-N 2 1 337.552 3.362 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197299 1413639044 /nfs/dbraw/zinc/63/90/44/1413639044.db2.gz JWFBMEQKZAKFKX-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199319 1413642284 /nfs/dbraw/zinc/64/22/84/1413642284.db2.gz VGOUFHLDQQGADR-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575948 1414250472 /nfs/dbraw/zinc/25/04/72/1414250472.db2.gz LYSJDDZXDRKTOC-AEFFLSMTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575948 1414250476 /nfs/dbraw/zinc/25/04/76/1414250476.db2.gz LYSJDDZXDRKTOC-AEFFLSMTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001700712070 1414368787 /nfs/dbraw/zinc/36/87/87/1414368787.db2.gz HFLLRFAODCXVGG-WOJBJXKFSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001707185804 1417234828 /nfs/dbraw/zinc/23/48/28/1417234828.db2.gz LIWLFVGVHBRBTC-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001707185804 1417234831 /nfs/dbraw/zinc/23/48/31/1417234831.db2.gz LIWLFVGVHBRBTC-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001707185804 1417234832 /nfs/dbraw/zinc/23/48/32/1417234832.db2.gz LIWLFVGVHBRBTC-YZGWKJHDSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001707274494 1417280948 /nfs/dbraw/zinc/28/09/48/1417280948.db2.gz DEZYIKPHENLVAW-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001707274494 1417280951 /nfs/dbraw/zinc/28/09/51/1417280951.db2.gz DEZYIKPHENLVAW-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001707274494 1417280953 /nfs/dbraw/zinc/28/09/53/1417280953.db2.gz DEZYIKPHENLVAW-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001713052938 1417604902 /nfs/dbraw/zinc/60/49/02/1417604902.db2.gz MOEVWKOICHETSV-ZWKOTPCHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713275899 1417894301 /nfs/dbraw/zinc/89/43/01/1417894301.db2.gz OJJBNZSYZAVGLM-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275899 1417894309 /nfs/dbraw/zinc/89/43/09/1417894309.db2.gz OJJBNZSYZAVGLM-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713275899 1417894313 /nfs/dbraw/zinc/89/43/13/1417894313.db2.gz OJJBNZSYZAVGLM-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001713755147 1418558796 /nfs/dbraw/zinc/55/87/96/1418558796.db2.gz VWFAVAZLEGSQOG-ZCNNSNEGSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713755147 1418558798 /nfs/dbraw/zinc/55/87/98/1418558798.db2.gz VWFAVAZLEGSQOG-ZCNNSNEGSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713755147 1418558800 /nfs/dbraw/zinc/55/88/00/1418558800.db2.gz VWFAVAZLEGSQOG-ZCNNSNEGSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001714091849 1418886129 /nfs/dbraw/zinc/88/61/29/1418886129.db2.gz MPIWJSITBFFPFT-CTNGQTDRSA-N 2 1 349.563 3.271 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714107619 1418908011 /nfs/dbraw/zinc/90/80/11/1418908011.db2.gz JSAMAEJOHZHNTH-KRWDZBQOSA-N 2 1 340.471 3.193 10 30 EGEEMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001714188842 1418995576 /nfs/dbraw/zinc/99/55/76/1418995576.db2.gz OMJXZVXYIFQKPI-YLJYHZDGSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449594 1419182085 /nfs/dbraw/zinc/18/20/85/1419182085.db2.gz XCYNBIZBKWKMCP-ROUUACIJSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449594 1419182088 /nfs/dbraw/zinc/18/20/88/1419182088.db2.gz XCYNBIZBKWKMCP-ROUUACIJSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001714803907 1419517178 /nfs/dbraw/zinc/51/71/78/1419517178.db2.gz DPQLYBQIHYMSOG-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001715316439 1420025481 /nfs/dbraw/zinc/02/54/81/1420025481.db2.gz RRZUYLVYQMYLCN-ROUUACIJSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715473016 1420152379 /nfs/dbraw/zinc/15/23/79/1420152379.db2.gz KRYZPXKWOPQAEZ-ZWKOTPCHSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001733268153 1429428851 /nfs/dbraw/zinc/42/88/51/1429428851.db2.gz HAIMEBKFYRQUTI-BPIHKTFHSA-N 2 1 344.503 3.048 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001716713085 1420866509 /nfs/dbraw/zinc/86/65/09/1420866509.db2.gz LUJUDGHNHNYNAP-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001716713085 1420866510 /nfs/dbraw/zinc/86/65/10/1420866510.db2.gz LUJUDGHNHNYNAP-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001716713085 1420866512 /nfs/dbraw/zinc/86/65/12/1420866512.db2.gz LUJUDGHNHNYNAP-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716884146 1421008094 /nfs/dbraw/zinc/00/80/94/1421008094.db2.gz QTBQVDYTUJHOFO-RTBURBONSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001717339277 1421277308 /nfs/dbraw/zinc/27/73/08/1421277308.db2.gz SYEGBOUGCGNVOQ-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001717339277 1421277311 /nfs/dbraw/zinc/27/73/11/1421277311.db2.gz SYEGBOUGCGNVOQ-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001717339277 1421277314 /nfs/dbraw/zinc/27/73/14/1421277314.db2.gz SYEGBOUGCGNVOQ-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001717339277 1421277317 /nfs/dbraw/zinc/27/73/17/1421277317.db2.gz SYEGBOUGCGNVOQ-UYAOXDASSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001717355809 1421290591 /nfs/dbraw/zinc/29/05/91/1421290591.db2.gz AUDPFOVRXFHQOP-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717355809 1421290592 /nfs/dbraw/zinc/29/05/92/1421290592.db2.gz AUDPFOVRXFHQOP-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001717355809 1421290593 /nfs/dbraw/zinc/29/05/93/1421290593.db2.gz AUDPFOVRXFHQOP-FQEVSTJZSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717457875 1421387396 /nfs/dbraw/zinc/38/73/96/1421387396.db2.gz WJERIRGSJMDHLY-BZSNNMDCSA-N 2 1 337.552 3.146 10 30 EGEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001717557433 1421493797 /nfs/dbraw/zinc/49/37/97/1421493797.db2.gz OBJUOKXQTMKMAR-PXNSSMCTSA-N 2 1 347.547 3.186 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584796 1421511414 /nfs/dbraw/zinc/51/14/14/1421511414.db2.gz CUFBPURMZMCRGW-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584796 1421511416 /nfs/dbraw/zinc/51/14/16/1421511416.db2.gz CUFBPURMZMCRGW-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584796 1421511417 /nfs/dbraw/zinc/51/14/17/1421511417.db2.gz CUFBPURMZMCRGW-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001717627004 1421536026 /nfs/dbraw/zinc/53/60/26/1421536026.db2.gz KWEVXGNJFAZPQS-UFYCRDLUSA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001717628833 1421537953 /nfs/dbraw/zinc/53/79/53/1421537953.db2.gz GKEDZJGMQHTEHK-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001717628833 1421537955 /nfs/dbraw/zinc/53/79/55/1421537955.db2.gz GKEDZJGMQHTEHK-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733449005 1429659930 /nfs/dbraw/zinc/65/99/30/1429659930.db2.gz DVNXUOFOWGTFFX-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001733458575 1429679520 /nfs/dbraw/zinc/67/95/20/1429679520.db2.gz GSRWBVWRXUUCMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733458575 1429679521 /nfs/dbraw/zinc/67/95/21/1429679521.db2.gz GSRWBVWRXUUCMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733458575 1429679522 /nfs/dbraw/zinc/67/95/22/1429679522.db2.gz GSRWBVWRXUUCMV-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733465745 1429697976 /nfs/dbraw/zinc/69/79/76/1429697976.db2.gz OOYHREJRENBRRT-OAQYLSRUSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001723689677 1424530981 /nfs/dbraw/zinc/53/09/81/1424530981.db2.gz AQDZXGQWIUHERO-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001723689677 1424530983 /nfs/dbraw/zinc/53/09/83/1424530983.db2.gz AQDZXGQWIUHERO-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001723689677 1424530986 /nfs/dbraw/zinc/53/09/86/1424530986.db2.gz AQDZXGQWIUHERO-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330361 1424822982 /nfs/dbraw/zinc/82/29/82/1424822982.db2.gz NXBDDFAWQIEMSK-GHTZIAJQSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001724741222 1425106159 /nfs/dbraw/zinc/10/61/59/1425106159.db2.gz NODAYSSYPHNVLI-UHFFFAOYSA-N 2 1 343.515 3.043 10 30 EGEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001725145018 1425625633 /nfs/dbraw/zinc/62/56/33/1425625633.db2.gz DIHRPLGMEMXNOZ-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725241485 1425847905 /nfs/dbraw/zinc/84/79/05/1425847905.db2.gz PEFBGAZAXSFEJZ-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562191 1427600506 /nfs/dbraw/zinc/60/05/06/1427600506.db2.gz XPCZUKUZTQSEGO-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001731571325 1427612368 /nfs/dbraw/zinc/61/23/68/1427612368.db2.gz DOWWVPJXVSGIAT-CTWPCTMYSA-N 2 1 335.536 3.233 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599015 1429798996 /nfs/dbraw/zinc/79/89/96/1429798996.db2.gz BDLLWOBQOWZPGM-RBUKOAKNSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599015 1429799000 /nfs/dbraw/zinc/79/90/00/1429799000.db2.gz BDLLWOBQOWZPGM-RBUKOAKNSA-N 2 1 346.519 3.227 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734105427 1437891575 /nfs/dbraw/zinc/89/15/75/1437891575.db2.gz FRPOELMLFFWDRL-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001734106644 1437892979 /nfs/dbraw/zinc/89/29/79/1437892979.db2.gz RXCVXJAKVVHVGA-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001734289332 1438019696 /nfs/dbraw/zinc/01/96/96/1438019696.db2.gz HYGRKDJISOLOET-IAGOWNOFSA-N 2 1 343.943 3.122 10 30 EGEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001734304568 1438035888 /nfs/dbraw/zinc/03/58/88/1438035888.db2.gz KXDLCYKOQSUBHN-UXHICEINSA-N 2 1 347.547 3.186 10 30 EGEEMP C[N@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000552044639 315192394 /nfs/dbraw/zinc/19/23/94/315192394.db2.gz JBFAWFWRLCWHCR-UHFFFAOYSA-N 2 1 340.515 3.381 10 30 EGEEMP C[N@@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000552044639 315192397 /nfs/dbraw/zinc/19/23/97/315192397.db2.gz JBFAWFWRLCWHCR-UHFFFAOYSA-N 2 1 340.515 3.381 10 30 EGEEMP COc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1C#N ZINC000174404899 455388405 /nfs/dbraw/zinc/38/84/05/455388405.db2.gz PVSKEKUFQIXMGA-UHFFFAOYSA-N 2 1 336.439 3.029 10 30 EGEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000595907731 459481431 /nfs/dbraw/zinc/48/14/31/459481431.db2.gz XBCNXWVOWFUIMX-LJQANCHMSA-N 2 1 329.488 3.030 10 30 EGEEMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000595907731 459481426 /nfs/dbraw/zinc/48/14/26/459481426.db2.gz XBCNXWVOWFUIMX-LJQANCHMSA-N 2 1 329.488 3.030 10 30 EGEEMP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492306703 459699758 /nfs/dbraw/zinc/69/97/58/459699758.db2.gz CKZQKOBUVXZGCB-GHTZIAJQSA-N 2 1 349.478 3.437 10 30 EGEEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169034 460035320 /nfs/dbraw/zinc/03/53/20/460035320.db2.gz PBNONNFWWXSUHM-FQEVSTJZSA-N 2 1 343.515 3.420 10 30 EGEEMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886620021 1303527731 /nfs/dbraw/zinc/52/77/31/1303527731.db2.gz AAEAIDWFANMENS-FCMAGTKHSA-N 2 1 326.484 3.363 10 30 EGEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(C#N)c1 ZINC000930169542 1328803121 /nfs/dbraw/zinc/80/31/21/1328803121.db2.gz BDQZKVQVIIPKMT-UHFFFAOYSA-N 2 1 335.455 3.087 10 30 EGEEMP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926863332 1327745026 /nfs/dbraw/zinc/74/50/26/1327745026.db2.gz KMZAKTZEVKKRAH-ASJDWODUSA-N 2 1 328.500 3.489 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638804 1387414670 /nfs/dbraw/zinc/41/46/70/1387414670.db2.gz VHKGRZGBSYMZHJ-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001323733314 1387434916 /nfs/dbraw/zinc/43/49/16/1387434916.db2.gz FGHLMZDZIMAZAV-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001323733314 1387434917 /nfs/dbraw/zinc/43/49/17/1387434917.db2.gz FGHLMZDZIMAZAV-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001323733314 1387434918 /nfs/dbraw/zinc/43/49/18/1387434918.db2.gz FGHLMZDZIMAZAV-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871017 1387483820 /nfs/dbraw/zinc/48/38/20/1387483820.db2.gz ATNOAIDHJHBCPC-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324505285 1387654571 /nfs/dbraw/zinc/65/45/71/1387654571.db2.gz IUGWNTCWFICOLQ-RBUKOAKNSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001271790729 1377652315 /nfs/dbraw/zinc/65/23/15/1377652315.db2.gz QGEFOUBEEFEOJS-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001276913164 1378193368 /nfs/dbraw/zinc/19/33/68/1378193368.db2.gz XMMNGDCAHJRWIL-SESVDKBCSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276913164 1378193372 /nfs/dbraw/zinc/19/33/72/1378193372.db2.gz XMMNGDCAHJRWIL-SESVDKBCSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276913164 1378193377 /nfs/dbraw/zinc/19/33/77/1378193377.db2.gz XMMNGDCAHJRWIL-SESVDKBCSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001284700520 1380115722 /nfs/dbraw/zinc/11/57/22/1380115722.db2.gz XGDJVHPWDGVVJX-NVXWUHKLSA-N 2 1 343.943 3.076 10 30 EGEEMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001328503750 1388766542 /nfs/dbraw/zinc/76/65/42/1388766542.db2.gz USKBNFULQVSCDE-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316614422 1384482878 /nfs/dbraw/zinc/48/28/78/1384482878.db2.gz FOMGEQJRNOBQFH-GBESFXJTSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001316810685 1384607080 /nfs/dbraw/zinc/60/70/80/1384607080.db2.gz KNQRSWIXPQHXOB-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001316810685 1384607084 /nfs/dbraw/zinc/60/70/84/1384607084.db2.gz KNQRSWIXPQHXOB-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001317175787 1384947386 /nfs/dbraw/zinc/94/73/86/1384947386.db2.gz GOCFEMPEIFDNPG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317175787 1384947388 /nfs/dbraw/zinc/94/73/88/1384947388.db2.gz GOCFEMPEIFDNPG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317175787 1384947392 /nfs/dbraw/zinc/94/73/92/1384947392.db2.gz GOCFEMPEIFDNPG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317175787 1384947396 /nfs/dbraw/zinc/94/73/96/1384947396.db2.gz GOCFEMPEIFDNPG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317429644 1385134621 /nfs/dbraw/zinc/13/46/21/1385134621.db2.gz WULSJRGVZIJWKE-LJQANCHMSA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317429644 1385134625 /nfs/dbraw/zinc/13/46/25/1385134625.db2.gz WULSJRGVZIJWKE-LJQANCHMSA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317429644 1385134631 /nfs/dbraw/zinc/13/46/31/1385134631.db2.gz WULSJRGVZIJWKE-LJQANCHMSA-N 2 1 347.547 3.024 10 30 EGEEMP C=CCC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382622 1385270804 /nfs/dbraw/zinc/27/08/04/1385270804.db2.gz SGQGLQYEEPLWAC-PCCBWWKXSA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382622 1385270807 /nfs/dbraw/zinc/27/08/07/1385270807.db2.gz SGQGLQYEEPLWAC-PCCBWWKXSA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382622 1385270810 /nfs/dbraw/zinc/27/08/10/1385270810.db2.gz SGQGLQYEEPLWAC-PCCBWWKXSA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382622 1385270813 /nfs/dbraw/zinc/27/08/13/1385270813.db2.gz SGQGLQYEEPLWAC-PCCBWWKXSA-N 2 1 328.500 3.158 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317882566 1385561072 /nfs/dbraw/zinc/56/10/72/1385561072.db2.gz QTSXCXBGCDOUJO-LJQANCHMSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001319775209 1386290688 /nfs/dbraw/zinc/29/06/88/1386290688.db2.gz RRSXKOZGQLINEX-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001329733759 1389212417 /nfs/dbraw/zinc/21/24/17/1389212417.db2.gz JGSOGQOEODVHGZ-IRXDYDNUSA-N 2 1 343.943 3.074 10 30 EGEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001330223267 1389348654 /nfs/dbraw/zinc/34/86/54/1389348654.db2.gz RMHOKYQMIHCVJT-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001330223267 1389348663 /nfs/dbraw/zinc/34/86/63/1389348663.db2.gz RMHOKYQMIHCVJT-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244582 1389363524 /nfs/dbraw/zinc/36/35/24/1389363524.db2.gz NBHDLJMDSRHMKK-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001330244582 1389363528 /nfs/dbraw/zinc/36/35/28/1389363528.db2.gz NBHDLJMDSRHMKK-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001330244582 1389363529 /nfs/dbraw/zinc/36/35/29/1389363529.db2.gz NBHDLJMDSRHMKK-ZWKOTPCHSA-N 2 1 337.552 3.125 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001479687724 1392319797 /nfs/dbraw/zinc/31/97/97/1392319797.db2.gz MCYQNVAJRJCOOL-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001698871813 1406592003 /nfs/dbraw/zinc/59/20/03/1406592003.db2.gz OZPMRYDCOQNMET-UYAOXDASSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723376 1392884917 /nfs/dbraw/zinc/88/49/17/1392884917.db2.gz CDZVNRQDSLOSPV-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480723376 1392884922 /nfs/dbraw/zinc/88/49/22/1392884922.db2.gz CDZVNRQDSLOSPV-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480723376 1392884930 /nfs/dbraw/zinc/88/49/30/1392884930.db2.gz CDZVNRQDSLOSPV-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001481338159 1393166720 /nfs/dbraw/zinc/16/67/20/1393166720.db2.gz SYQOPFYNNOTVIR-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482048739 1394710641 /nfs/dbraw/zinc/71/06/41/1394710641.db2.gz CENPVVHVHKFYIM-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484100990 1395250473 /nfs/dbraw/zinc/25/04/73/1395250473.db2.gz PMBZWROAJRWJGH-QUCCMNQESA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484122261 1395264785 /nfs/dbraw/zinc/26/47/85/1395264785.db2.gz QOKZLFQXALCFKQ-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174403 1395320332 /nfs/dbraw/zinc/32/03/32/1395320332.db2.gz LGGLYYXXOMHMFS-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174403 1395320337 /nfs/dbraw/zinc/32/03/37/1395320337.db2.gz LGGLYYXXOMHMFS-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827645 1395565398 /nfs/dbraw/zinc/56/53/98/1395565398.db2.gz RIMPAJUVJJPEGF-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485480729 1395962238 /nfs/dbraw/zinc/96/22/38/1395962238.db2.gz RVFAJNFCHCFBRO-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001485480729 1395962243 /nfs/dbraw/zinc/96/22/43/1395962243.db2.gz RVFAJNFCHCFBRO-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001485480729 1395962248 /nfs/dbraw/zinc/96/22/48/1395962248.db2.gz RVFAJNFCHCFBRO-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588468 1396064972 /nfs/dbraw/zinc/06/49/72/1396064972.db2.gz YZWLPMKIKCTCSO-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588468 1396064978 /nfs/dbraw/zinc/06/49/78/1396064978.db2.gz YZWLPMKIKCTCSO-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491958284 1396300595 /nfs/dbraw/zinc/30/05/95/1396300595.db2.gz CAVXKYFLQFWVDT-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958284 1396300596 /nfs/dbraw/zinc/30/05/96/1396300596.db2.gz CAVXKYFLQFWVDT-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958284 1396300597 /nfs/dbraw/zinc/30/05/97/1396300597.db2.gz CAVXKYFLQFWVDT-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001495974658 1396584268 /nfs/dbraw/zinc/58/42/68/1396584268.db2.gz YDGDDTUIXIQTMF-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001690919102 1404829799 /nfs/dbraw/zinc/82/97/99/1404829799.db2.gz CQDSBGFVVKWWSM-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001690919102 1404829802 /nfs/dbraw/zinc/82/98/02/1404829802.db2.gz CQDSBGFVVKWWSM-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001691692904 1405427739 /nfs/dbraw/zinc/42/77/39/1405427739.db2.gz VNVOLRZEIJLZRF-YLJYHZDGSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691745916 1405466606 /nfs/dbraw/zinc/46/66/06/1405466606.db2.gz WISNTFQYAPVNIO-INDMIFKZSA-N 2 1 335.536 3.088 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001692023505 1405742270 /nfs/dbraw/zinc/74/22/70/1405742270.db2.gz VIOYUTLUKIAATF-UHFFFAOYSA-N 2 1 343.515 3.108 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001732185016 1428433834 /nfs/dbraw/zinc/43/38/34/1428433834.db2.gz JOWGDGLXLDJCDJ-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001732185016 1428433837 /nfs/dbraw/zinc/43/38/37/1428433837.db2.gz JOWGDGLXLDJCDJ-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001732185016 1428433838 /nfs/dbraw/zinc/43/38/38/1428433838.db2.gz JOWGDGLXLDJCDJ-CTNGQTDRSA-N 2 1 349.563 3.366 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001732189279 1428440492 /nfs/dbraw/zinc/44/04/92/1428440492.db2.gz HFGVBAUMMALUGU-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001732189279 1428440493 /nfs/dbraw/zinc/44/04/93/1428440493.db2.gz HFGVBAUMMALUGU-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001732189279 1428440494 /nfs/dbraw/zinc/44/04/94/1428440494.db2.gz HFGVBAUMMALUGU-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001732189279 1428440495 /nfs/dbraw/zinc/44/04/95/1428440495.db2.gz HFGVBAUMMALUGU-HXUWFJFHSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001732289449 1428515857 /nfs/dbraw/zinc/51/58/57/1428515857.db2.gz WDBBJQOCMHFJAE-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001700868586 1414521533 /nfs/dbraw/zinc/52/15/33/1414521533.db2.gz RLWGEKLUXRSLMD-ZJOUEHCJSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001700868586 1414521535 /nfs/dbraw/zinc/52/15/35/1414521535.db2.gz RLWGEKLUXRSLMD-ZJOUEHCJSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001707170589 1417228280 /nfs/dbraw/zinc/22/82/80/1417228280.db2.gz ZGMCAYIXWRLRLO-QRVBRYPASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713741724 1418544056 /nfs/dbraw/zinc/54/40/56/1418544056.db2.gz NHWQXLAVTJFPRE-GOSISDBHSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752301 1418553603 /nfs/dbraw/zinc/55/36/03/1418553603.db2.gz MDHVIZGBXKNOCR-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001713764483 1418576220 /nfs/dbraw/zinc/57/62/20/1418576220.db2.gz DKWUTMVJSBWYNA-UHFFFAOYSA-N 2 1 340.471 3.003 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001713766453 1418580729 /nfs/dbraw/zinc/58/07/29/1418580729.db2.gz AFHQISKCSDPYKT-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001713766453 1418580731 /nfs/dbraw/zinc/58/07/31/1418580731.db2.gz AFHQISKCSDPYKT-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001713766453 1418580733 /nfs/dbraw/zinc/58/07/33/1418580733.db2.gz AFHQISKCSDPYKT-PMACEKPBSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713767147 1418581457 /nfs/dbraw/zinc/58/14/57/1418581457.db2.gz ZSOMHYDFSSOISO-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001713910996 1418707355 /nfs/dbraw/zinc/70/73/55/1418707355.db2.gz XDFDMURQXJDUHV-YRXWBPOGSA-N 2 1 335.536 3.137 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180847 1429282694 /nfs/dbraw/zinc/28/26/94/1429282694.db2.gz MIQJJEGDIBLKHQ-WOJBJXKFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714313000 1419093511 /nfs/dbraw/zinc/09/35/11/1419093511.db2.gz NKSCROUWTKQAEE-VAMGGRTRSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715144622 1419890639 /nfs/dbraw/zinc/89/06/39/1419890639.db2.gz JHOGUKSAAFBEGH-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001716867882 1420996137 /nfs/dbraw/zinc/99/61/37/1420996137.db2.gz XGFXJMYWOBGFHN-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001716867881 1420996153 /nfs/dbraw/zinc/99/61/53/1420996153.db2.gz XGFXJMYWOBGFHN-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717705811 1421581133 /nfs/dbraw/zinc/58/11/33/1421581133.db2.gz NTKNAMVNYZOSOH-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1CC ZINC001733518429 1429728128 /nfs/dbraw/zinc/72/81/28/1429728128.db2.gz NNNPPGZHVGUMED-PMACEKPBSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724325076 1424813327 /nfs/dbraw/zinc/81/33/27/1424813327.db2.gz UZOFVPGWMJPIHL-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325076 1424813333 /nfs/dbraw/zinc/81/33/33/1424813333.db2.gz UZOFVPGWMJPIHL-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001724325076 1424813334 /nfs/dbraw/zinc/81/33/34/1424813334.db2.gz UZOFVPGWMJPIHL-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724341108 1424835007 /nfs/dbraw/zinc/83/50/07/1424835007.db2.gz QOLQHVKDBIFVNW-CTNGQTDRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341108 1424835012 /nfs/dbraw/zinc/83/50/12/1424835012.db2.gz QOLQHVKDBIFVNW-CTNGQTDRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724341108 1424835020 /nfs/dbraw/zinc/83/50/20/1424835020.db2.gz QOLQHVKDBIFVNW-CTNGQTDRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869773 1425252751 /nfs/dbraw/zinc/25/27/51/1425252751.db2.gz WBJPYEYJPCSLTK-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001725230529 1425803124 /nfs/dbraw/zinc/80/31/24/1425803124.db2.gz VPOLDILFLZLNOU-MSOLQXFVSA-N 2 1 335.536 3.092 10 30 EGEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001731347666 1427285187 /nfs/dbraw/zinc/28/51/87/1427285187.db2.gz PYFNTLUIAFNQGA-IEBWSBKVSA-N 2 1 337.552 3.220 10 30 EGEEMP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001731387550 1427335562 /nfs/dbraw/zinc/33/55/62/1427335562.db2.gz KEAVMDCVOBQOOC-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001731430295 1427411772 /nfs/dbraw/zinc/41/17/72/1427411772.db2.gz PCWRIMYUFHMEHE-ZCNNSNEGSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001731551582 1427572578 /nfs/dbraw/zinc/57/25/78/1427572578.db2.gz LODRHKYNHFAHHQ-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551582 1427572580 /nfs/dbraw/zinc/57/25/80/1427572580.db2.gz LODRHKYNHFAHHQ-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551582 1427572586 /nfs/dbraw/zinc/57/25/86/1427572586.db2.gz LODRHKYNHFAHHQ-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731712706 1427773551 /nfs/dbraw/zinc/77/35/51/1427773551.db2.gz KOQYYVLLYQIOIB-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731993353 1428202188 /nfs/dbraw/zinc/20/21/88/1428202188.db2.gz BMBCCTISAPFXRB-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195291512 455941263 /nfs/dbraw/zinc/94/12/63/455941263.db2.gz KLKTUJVRBRRQBV-GOSISDBHSA-N 2 1 338.430 3.046 10 30 EGEEMP C=C(C)C[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364078651 457478554 /nfs/dbraw/zinc/47/85/54/457478554.db2.gz IEMFNAJWPIFWQN-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722575 461915144 /nfs/dbraw/zinc/91/51/44/461915144.db2.gz WTBTVOLLMJMDBK-MISYRCLQSA-N 2 1 330.472 3.112 10 30 EGEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000865482959 1329703589 /nfs/dbraw/zinc/70/35/89/1329703589.db2.gz CEGGAHXSEGVGGC-UHFFFAOYSA-N 2 1 326.488 3.121 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737026 1331173513 /nfs/dbraw/zinc/17/35/13/1331173513.db2.gz MCFNMGMKCDQPMT-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737026 1331173516 /nfs/dbraw/zinc/17/35/16/1331173516.db2.gz MCFNMGMKCDQPMT-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737026 1331173520 /nfs/dbraw/zinc/17/35/20/1331173520.db2.gz MCFNMGMKCDQPMT-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748094 1331177944 /nfs/dbraw/zinc/17/79/44/1331177944.db2.gz UVNMVJOJVSEYFO-GOSISDBHSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001323636044 1387413266 /nfs/dbraw/zinc/41/32/66/1387413266.db2.gz BHZJNUXLXLTSDM-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001323636044 1387413267 /nfs/dbraw/zinc/41/32/67/1387413267.db2.gz BHZJNUXLXLTSDM-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001323636044 1387413268 /nfs/dbraw/zinc/41/32/68/1387413268.db2.gz BHZJNUXLXLTSDM-LJQANCHMSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001323831959 1387468596 /nfs/dbraw/zinc/46/85/96/1387468596.db2.gz KSKVRSXPPBDONJ-GOSISDBHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001324103089 1387542885 /nfs/dbraw/zinc/54/28/85/1387542885.db2.gz NUYNPWFIANQHIE-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001324103089 1387542887 /nfs/dbraw/zinc/54/28/87/1387542887.db2.gz NUYNPWFIANQHIE-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324328826 1387592354 /nfs/dbraw/zinc/59/23/54/1387592354.db2.gz IYOFTGIRWIWNLW-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001324328825 1387592599 /nfs/dbraw/zinc/59/25/99/1387592599.db2.gz IYOFTGIRWIWNLW-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974486 1387863294 /nfs/dbraw/zinc/86/32/94/1387863294.db2.gz ABNYOUZDHMJUJH-PZJWPPBQSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001326521748 1388228740 /nfs/dbraw/zinc/22/87/40/1388228740.db2.gz PHHDQFHNNOFFBI-QWFCFKBJSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001267582429 1377461427 /nfs/dbraw/zinc/46/14/27/1377461427.db2.gz ISFYYPUBSBNGEG-INIZCTEOSA-N 2 1 349.544 3.170 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001275724726 1378153719 /nfs/dbraw/zinc/15/37/19/1378153719.db2.gz ANNKOFCUTYJKDD-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001278908824 1378289674 /nfs/dbraw/zinc/28/96/74/1378289674.db2.gz YOIINCOVDRUGQY-IBGZPJMESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001278908824 1378289677 /nfs/dbraw/zinc/28/96/77/1378289677.db2.gz YOIINCOVDRUGQY-IBGZPJMESA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001278908824 1378289686 /nfs/dbraw/zinc/28/96/86/1378289686.db2.gz YOIINCOVDRUGQY-IBGZPJMESA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001282682643 1378555830 /nfs/dbraw/zinc/55/58/30/1378555830.db2.gz SFUHJMWJZYQQOS-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001316812283 1384610973 /nfs/dbraw/zinc/61/09/73/1384610973.db2.gz ZLGWZFWJQHHBLG-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812283 1384610975 /nfs/dbraw/zinc/61/09/75/1384610975.db2.gz ZLGWZFWJQHHBLG-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812283 1384610978 /nfs/dbraw/zinc/61/09/78/1384610978.db2.gz ZLGWZFWJQHHBLG-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139678 1384905720 /nfs/dbraw/zinc/90/57/20/1384905720.db2.gz KKVKFBXEXJHGCA-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317139678 1384905724 /nfs/dbraw/zinc/90/57/24/1384905724.db2.gz KKVKFBXEXJHGCA-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317139678 1384905727 /nfs/dbraw/zinc/90/57/27/1384905727.db2.gz KKVKFBXEXJHGCA-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001317177148 1384950146 /nfs/dbraw/zinc/95/01/46/1384950146.db2.gz SBSSJPLLHSJKJB-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317177148 1384950148 /nfs/dbraw/zinc/95/01/48/1384950148.db2.gz SBSSJPLLHSJKJB-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317177148 1384950152 /nfs/dbraw/zinc/95/01/52/1384950152.db2.gz SBSSJPLLHSJKJB-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001317177148 1384950155 /nfs/dbraw/zinc/95/01/55/1384950155.db2.gz SBSSJPLLHSJKJB-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317209609 1384988043 /nfs/dbraw/zinc/98/80/43/1384988043.db2.gz SYPHIZFTQYQYFS-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209609 1384988047 /nfs/dbraw/zinc/98/80/47/1384988047.db2.gz SYPHIZFTQYQYFS-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209609 1384988050 /nfs/dbraw/zinc/98/80/50/1384988050.db2.gz SYPHIZFTQYQYFS-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804601 1385501234 /nfs/dbraw/zinc/50/12/34/1385501234.db2.gz CSFNHXHKBFUIOQ-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804600 1385501487 /nfs/dbraw/zinc/50/14/87/1385501487.db2.gz CSFNHXHKBFUIOQ-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001319818311 1386314668 /nfs/dbraw/zinc/31/46/68/1386314668.db2.gz FBIWEGSEMSGBEO-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001329255785 1389036116 /nfs/dbraw/zinc/03/61/16/1389036116.db2.gz NHVHGPLIYPCFJE-UHFFFAOYSA-N 2 1 346.519 3.332 10 30 EGEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331440310 1389749659 /nfs/dbraw/zinc/74/96/59/1389749659.db2.gz RUUOPFGIXAPTCV-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332217172 1390048092 /nfs/dbraw/zinc/04/80/92/1390048092.db2.gz GTJMKFIHXJSZNN-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001332991781 1390231803 /nfs/dbraw/zinc/23/18/03/1390231803.db2.gz KAZYWQNLMZTHJF-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333164949 1390258522 /nfs/dbraw/zinc/25/85/22/1390258522.db2.gz BWPSZMFKTKUISR-LJQANCHMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001479597574 1392284855 /nfs/dbraw/zinc/28/48/55/1392284855.db2.gz NEIXBOSDUUIJDQ-VAMGGRTRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746829 1392363711 /nfs/dbraw/zinc/36/37/11/1392363711.db2.gz VXVYTJRKQIJXIC-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746829 1392363714 /nfs/dbraw/zinc/36/37/14/1392363714.db2.gz VXVYTJRKQIJXIC-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746829 1392363722 /nfs/dbraw/zinc/36/37/22/1392363722.db2.gz VXVYTJRKQIJXIC-QGZVFWFLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480138655 1392598494 /nfs/dbraw/zinc/59/84/94/1392598494.db2.gz KUJMRUKMZWSMOH-FCGDIQPGSA-N 2 1 347.547 3.233 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481508152 1394355119 /nfs/dbraw/zinc/35/51/19/1394355119.db2.gz GDCCTTGCCSXMKI-WOJBJXKFSA-N 2 1 343.515 3.006 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001481678433 1394444120 /nfs/dbraw/zinc/44/41/20/1394444120.db2.gz TVFRYDJGMOARHK-UFYCRDLUSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001481678433 1394444125 /nfs/dbraw/zinc/44/41/25/1394444125.db2.gz TVFRYDJGMOARHK-UFYCRDLUSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001481678433 1394444128 /nfs/dbraw/zinc/44/41/28/1394444128.db2.gz TVFRYDJGMOARHK-UFYCRDLUSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001491269400 1394497589 /nfs/dbraw/zinc/49/75/89/1394497589.db2.gz AUTUMKMMIKQCTQ-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034374 1394694106 /nfs/dbraw/zinc/69/41/06/1394694106.db2.gz ZTWPDZZZAJDKNH-HXUWFJFHSA-N 2 1 343.515 3.231 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001482061555 1394722354 /nfs/dbraw/zinc/72/23/54/1394722354.db2.gz OOJDVXXLVNASCK-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001482246748 1394843668 /nfs/dbraw/zinc/84/36/68/1394843668.db2.gz QWYRVVRZOSDYQR-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001482409584 1394974435 /nfs/dbraw/zinc/97/44/35/1394974435.db2.gz OLMGPJIEWZYRON-YSIASYRMSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484137967 1395274675 /nfs/dbraw/zinc/27/46/75/1395274675.db2.gz ZOVXETDUMHITQP-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001484556052 1395436387 /nfs/dbraw/zinc/43/63/87/1395436387.db2.gz IDIUGWLCYUKJLC-UHFFFAOYSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001485484744 1395971367 /nfs/dbraw/zinc/97/13/67/1395971367.db2.gz KNWYVUOBKUYFAW-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568966 1396032280 /nfs/dbraw/zinc/03/22/80/1396032280.db2.gz CSSCAOVZUHEMRS-ZWKOTPCHSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579874 1396052571 /nfs/dbraw/zinc/05/25/71/1396052571.db2.gz WLXRGEAOXWYTND-IEBWSBKVSA-N 2 1 349.563 3.288 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001505401283 1396289230 /nfs/dbraw/zinc/28/92/30/1396289230.db2.gz XNTZDIPVQRJSAG-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001505401283 1396289234 /nfs/dbraw/zinc/28/92/34/1396289234.db2.gz XNTZDIPVQRJSAG-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001505401283 1396289235 /nfs/dbraw/zinc/28/92/35/1396289235.db2.gz XNTZDIPVQRJSAG-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491955590 1396300539 /nfs/dbraw/zinc/30/05/39/1396300539.db2.gz TZZLCMNKDLRWRU-FQEVSTJZSA-N 2 1 343.515 3.251 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496398153 1396687741 /nfs/dbraw/zinc/68/77/41/1396687741.db2.gz DUPRSKNLDXFJKV-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496398151 1396688075 /nfs/dbraw/zinc/68/80/75/1396688075.db2.gz DUPRSKNLDXFJKV-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689089264 1396892234 /nfs/dbraw/zinc/89/22/34/1396892234.db2.gz MFJAEFBHJHPEQF-YSTOQKLRSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690457947 1404586311 /nfs/dbraw/zinc/58/63/11/1404586311.db2.gz VNIJNTLHSHTLGO-FQEVSTJZSA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504441 1404616676 /nfs/dbraw/zinc/61/66/76/1404616676.db2.gz DINOUAPUPSWBJK-OALUTQOASA-N 2 1 349.563 3.269 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691153826 1405087066 /nfs/dbraw/zinc/08/70/66/1405087066.db2.gz FEGBBSGRCNMZPA-FHWLQOOXSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691153826 1405087067 /nfs/dbraw/zinc/08/70/67/1405087067.db2.gz FEGBBSGRCNMZPA-FHWLQOOXSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691153826 1405087073 /nfs/dbraw/zinc/08/70/73/1405087073.db2.gz FEGBBSGRCNMZPA-FHWLQOOXSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001691628733 1405365753 /nfs/dbraw/zinc/36/57/53/1405365753.db2.gz BHUYKKWLOPLXOM-PMACEKPBSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001692253222 1405879426 /nfs/dbraw/zinc/87/94/26/1405879426.db2.gz XUUJOLJHYGYBJC-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001692253222 1405879434 /nfs/dbraw/zinc/87/94/34/1405879434.db2.gz XUUJOLJHYGYBJC-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001692253222 1405879438 /nfs/dbraw/zinc/87/94/38/1405879438.db2.gz XUUJOLJHYGYBJC-OALUTQOASA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276309 1405909902 /nfs/dbraw/zinc/90/99/02/1405909902.db2.gz YJTKNUXYIBQKQU-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001698573710 1406180651 /nfs/dbraw/zinc/18/06/51/1406180651.db2.gz BVQMYRFTJWOTAK-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001698573710 1406180655 /nfs/dbraw/zinc/18/06/55/1406180655.db2.gz BVQMYRFTJWOTAK-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001698573710 1406180657 /nfs/dbraw/zinc/18/06/57/1406180657.db2.gz BVQMYRFTJWOTAK-OALUTQOASA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001732322836 1428531897 /nfs/dbraw/zinc/53/18/97/1428531897.db2.gz FFEIGZMNIFXOAS-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844251 1413272957 /nfs/dbraw/zinc/27/29/57/1413272957.db2.gz KBFSXROILAJGGP-XLIONFOSSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001700099016 1413516252 /nfs/dbraw/zinc/51/62/52/1413516252.db2.gz BLANMORTRKZWNT-IYARVYRRSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183445 1413599673 /nfs/dbraw/zinc/59/96/73/1413599673.db2.gz DUNAOIJOIILIAA-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700532613 1414200268 /nfs/dbraw/zinc/20/02/68/1414200268.db2.gz XANVWNIJVDUXGN-IBGZPJMESA-N 2 1 335.536 3.189 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566490 1414234029 /nfs/dbraw/zinc/23/40/29/1414234029.db2.gz DVBXDGAHGXSJLQ-KRWDZBQOSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001700920326 1414572538 /nfs/dbraw/zinc/57/25/38/1414572538.db2.gz XVJHVQMHXHJRDH-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701062666 1414720188 /nfs/dbraw/zinc/72/01/88/1414720188.db2.gz KFSZMADPZSYDGW-HXUWFJFHSA-N 2 1 347.547 3.211 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001707163289 1417226198 /nfs/dbraw/zinc/22/61/98/1417226198.db2.gz JKKUHXCRODSEDT-AQNXPRMDSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001713218446 1417797911 /nfs/dbraw/zinc/79/79/11/1417797911.db2.gz VGNMONAOMSKYMF-ZCNNSNEGSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713218446 1417797915 /nfs/dbraw/zinc/79/79/15/1417797915.db2.gz VGNMONAOMSKYMF-ZCNNSNEGSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713218446 1417797919 /nfs/dbraw/zinc/79/79/19/1417797919.db2.gz VGNMONAOMSKYMF-ZCNNSNEGSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001713292576 1417920223 /nfs/dbraw/zinc/92/02/23/1417920223.db2.gz GHODZDMRUIGLLG-MHJFOBGBSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713680439 1418432242 /nfs/dbraw/zinc/43/22/42/1418432242.db2.gz LLIDBGBZZGKKDM-UYAOXDASSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714107621 1418908089 /nfs/dbraw/zinc/90/80/89/1418908089.db2.gz JSAMAEJOHZHNTH-QGZVFWFLSA-N 2 1 340.471 3.193 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001714365605 1419125854 /nfs/dbraw/zinc/12/58/54/1419125854.db2.gz JAGOFRPUORLVAK-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001714365605 1419125855 /nfs/dbraw/zinc/12/58/55/1419125855.db2.gz JAGOFRPUORLVAK-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001714365605 1419125856 /nfs/dbraw/zinc/12/58/56/1419125856.db2.gz JAGOFRPUORLVAK-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714979357 1419714438 /nfs/dbraw/zinc/71/44/38/1419714438.db2.gz RNWGAFYCXUOLMY-RTBURBONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001716798516 1420931850 /nfs/dbraw/zinc/93/18/50/1420931850.db2.gz XBIGBJDQHAKPHP-KRWDZBQOSA-N 2 1 346.519 3.332 10 30 EGEEMP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001716818900 1420945147 /nfs/dbraw/zinc/94/51/47/1420945147.db2.gz NSGIMNJTVQAOSQ-GOSISDBHSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716874485 1421001119 /nfs/dbraw/zinc/00/11/19/1421001119.db2.gz DPTFZNSGUAZHLT-XLIONFOSSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717112750 1421116656 /nfs/dbraw/zinc/11/66/56/1421116656.db2.gz NHZFLJOEZYLNEM-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717112750 1421116658 /nfs/dbraw/zinc/11/66/58/1421116658.db2.gz NHZFLJOEZYLNEM-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717112750 1421116660 /nfs/dbraw/zinc/11/66/60/1421116660.db2.gz NHZFLJOEZYLNEM-HXUWFJFHSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202359 1421170587 /nfs/dbraw/zinc/17/05/87/1421170587.db2.gz RBFMKZXHZDZYHK-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717446551 1421375898 /nfs/dbraw/zinc/37/58/98/1421375898.db2.gz FKJBZJHVRRLAMY-LMDPOFIKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717537324 1421475581 /nfs/dbraw/zinc/47/55/81/1421475581.db2.gz BSLMWJJMTXPHSE-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717537324 1421475583 /nfs/dbraw/zinc/47/55/83/1421475583.db2.gz BSLMWJJMTXPHSE-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717537324 1421475585 /nfs/dbraw/zinc/47/55/85/1421475585.db2.gz BSLMWJJMTXPHSE-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001717629135 1421538370 /nfs/dbraw/zinc/53/83/70/1421538370.db2.gz LERVASBEEQMYNF-UHFFFAOYSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717706107 1421581845 /nfs/dbraw/zinc/58/18/45/1421581845.db2.gz RZZJXCIEOINHTL-UHFFFAOYSA-N 2 1 335.536 3.142 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001723874499 1424593859 /nfs/dbraw/zinc/59/38/59/1424593859.db2.gz ILPZMQJFZWPSLD-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001723874499 1424593864 /nfs/dbraw/zinc/59/38/64/1424593864.db2.gz ILPZMQJFZWPSLD-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724061658 1424643688 /nfs/dbraw/zinc/64/36/88/1424643688.db2.gz WMHFIMXIQRRRRJ-UHFFFAOYSA-N 2 1 349.563 3.081 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001724742894 1425109787 /nfs/dbraw/zinc/10/97/87/1425109787.db2.gz CTQCYYDJJSLZDB-QFBILLFUSA-N 2 1 329.488 3.014 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998351 1425406208 /nfs/dbraw/zinc/40/62/08/1425406208.db2.gz ASSOFKVNZLFAOV-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998351 1425406213 /nfs/dbraw/zinc/40/62/13/1425406213.db2.gz ASSOFKVNZLFAOV-WMZOPIPTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001725290681 1425934070 /nfs/dbraw/zinc/93/40/70/1425934070.db2.gz CZMLEORHUSIXAQ-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001725558663 1426223604 /nfs/dbraw/zinc/22/36/04/1426223604.db2.gz KGDSTRFRRCHILZ-MJGOQNOKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470939 1427450404 /nfs/dbraw/zinc/45/04/04/1427450404.db2.gz MEYLMUOFSKNTAQ-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001731516294 1427503652 /nfs/dbraw/zinc/50/36/52/1427503652.db2.gz OWACOHNUJDJTMZ-ROUUACIJSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731541502 1427549159 /nfs/dbraw/zinc/54/91/59/1427549159.db2.gz CBVRRMSFRYREBX-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835571 1428051242 /nfs/dbraw/zinc/05/12/42/1428051242.db2.gz SDYBBVVXKXNJDZ-PXNSSMCTSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCCCCC[NH+]1CCC2(CN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC001733694148 1429911692 /nfs/dbraw/zinc/91/16/92/1429911692.db2.gz YGFNLOBGGHFEMG-UHFFFAOYSA-N 2 1 344.503 3.013 10 30 EGEEMP C=C(C)C[N@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001734553722 1438152279 /nfs/dbraw/zinc/15/22/79/1438152279.db2.gz HKHLHIPFUXCALV-UHFFFAOYSA-N 2 1 331.504 3.107 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001734611777 1438187110 /nfs/dbraw/zinc/18/71/10/1438187110.db2.gz LSYZNJWJDIGHCA-QGZVFWFLSA-N 2 1 349.563 3.432 10 30 EGEEMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000352854622 267162979 /nfs/dbraw/zinc/16/29/79/267162979.db2.gz QWYOJIOSHQREBI-CYBMUJFWSA-N 2 1 325.378 3.399 10 30 EGEEMP C=CCCC[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000091559879 454446051 /nfs/dbraw/zinc/44/60/51/454446051.db2.gz ZCDSVJSBBCCGJA-HXUWFJFHSA-N 2 1 329.532 3.481 10 30 EGEEMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509403 /nfs/dbraw/zinc/50/94/03/458509403.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 1 337.414 3.322 10 30 EGEEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000596649311 459714769 /nfs/dbraw/zinc/71/47/69/459714769.db2.gz HWWKFABSTINNCM-RTRUNKLESA-N 2 1 327.472 3.203 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(OC)c1O ZINC000656786291 461896998 /nfs/dbraw/zinc/89/69/98/461896998.db2.gz RXUCEBDEPYCTAH-LJQANCHMSA-N 2 1 344.499 3.341 10 30 EGEEMP C=CCN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486930 /nfs/dbraw/zinc/48/69/30/1303486930.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 2 1 339.527 3.280 10 30 EGEEMP C=CC[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486932 /nfs/dbraw/zinc/48/69/32/1303486932.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 2 1 339.527 3.280 10 30 EGEEMP C=CC[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486934 /nfs/dbraw/zinc/48/69/34/1303486934.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 2 1 339.527 3.280 10 30 EGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886628439 1303531273 /nfs/dbraw/zinc/53/12/73/1303531273.db2.gz QORAQPMPUJLGRA-SXYSDOLCSA-N 2 1 326.484 3.220 10 30 EGEEMP C#CC[C@@H](CCOC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895415477 1309328563 /nfs/dbraw/zinc/32/85/63/1309328563.db2.gz NCUFZXHVNGBRLU-BURNTYAHSA-N 2 1 326.484 3.058 10 30 EGEEMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000895827520 1309540577 /nfs/dbraw/zinc/54/05/77/1309540577.db2.gz LYZVJRUSRKDNNC-UHFFFAOYSA-N 2 1 340.515 3.487 10 30 EGEEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929841107 1328717201 /nfs/dbraw/zinc/71/72/01/1328717201.db2.gz KGWLWWRCBWXFMM-KRWDZBQOSA-N 2 1 326.488 3.430 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000922240028 1322485751 /nfs/dbraw/zinc/48/57/51/1322485751.db2.gz LYVDHCGGXSFIFZ-OAQYLSRUSA-N 2 1 349.478 3.032 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076270 1331321839 /nfs/dbraw/zinc/32/18/39/1331321839.db2.gz VCGCCUWWUACIOB-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001119988946 1371443663 /nfs/dbraw/zinc/44/36/63/1371443663.db2.gz MDMKGWCAKASLBR-IPMKNSEASA-N 2 1 344.499 3.422 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001326490689 1388214903 /nfs/dbraw/zinc/21/49/03/1388214903.db2.gz SQAWOGMWKNJANC-HKUYNNGSSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307735 1388493819 /nfs/dbraw/zinc/49/38/19/1388493819.db2.gz GQVORNVHIBFROL-PMACEKPBSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001273783001 1378111318 /nfs/dbraw/zinc/11/13/18/1378111318.db2.gz RWUGHDOTXITSGN-IBGZPJMESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328268160 1388706408 /nfs/dbraw/zinc/70/64/08/1388706408.db2.gz RYRKRFBQSRKZBP-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328268160 1388706413 /nfs/dbraw/zinc/70/64/13/1388706413.db2.gz RYRKRFBQSRKZBP-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001328268160 1388706415 /nfs/dbraw/zinc/70/64/15/1388706415.db2.gz RYRKRFBQSRKZBP-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C[NH+]1C[C@]23C[N@H+](CCCOc4ccc(C#N)cc4)C[C@@]2(C1)CCCC3 ZINC001308169834 1384105350 /nfs/dbraw/zinc/10/53/50/1384105350.db2.gz GBQLYBFFNKSLNI-OYRHEFFESA-N 2 1 339.483 3.135 10 30 EGEEMP C[NH+]1C[C@]23C[N@@H+](CCCOc4ccc(C#N)cc4)C[C@@]2(C1)CCCC3 ZINC001308169834 1384105352 /nfs/dbraw/zinc/10/53/52/1384105352.db2.gz GBQLYBFFNKSLNI-OYRHEFFESA-N 2 1 339.483 3.135 10 30 EGEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001317047423 1384823997 /nfs/dbraw/zinc/82/39/97/1384823997.db2.gz SXBVNDMGVJAVGJ-KURKYZTESA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001317047423 1384824003 /nfs/dbraw/zinc/82/40/03/1384824003.db2.gz SXBVNDMGVJAVGJ-KURKYZTESA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001318959598 1385897796 /nfs/dbraw/zinc/89/77/96/1385897796.db2.gz UBYRTDQIYOTUFS-MKXGPGLRSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651953 1386234336 /nfs/dbraw/zinc/23/43/36/1386234336.db2.gz SGPPBQHNFVKXIA-RBUKOAKNSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001698693414 1406337757 /nfs/dbraw/zinc/33/77/57/1406337757.db2.gz AEHLGRWALYQKIK-KRWDZBQOSA-N 2 1 346.519 3.191 10 30 EGEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332013087 1389945837 /nfs/dbraw/zinc/94/58/37/1389945837.db2.gz HTSTWXVGPLEVNL-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332218501 1390050219 /nfs/dbraw/zinc/05/02/19/1390050219.db2.gz LKVOZYUAWPGANI-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332218501 1390050225 /nfs/dbraw/zinc/05/02/25/1390050225.db2.gz LKVOZYUAWPGANI-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332218501 1390050229 /nfs/dbraw/zinc/05/02/29/1390050229.db2.gz LKVOZYUAWPGANI-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332218501 1390050234 /nfs/dbraw/zinc/05/02/34/1390050234.db2.gz LKVOZYUAWPGANI-ICSRJNTNSA-N 2 1 343.515 3.054 10 30 EGEEMP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001332940232 1390220634 /nfs/dbraw/zinc/22/06/34/1390220634.db2.gz KOESZNLHVROIOT-MJGOQNOKSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479612479 1392287690 /nfs/dbraw/zinc/28/76/90/1392287690.db2.gz JRCNYLSKDYFLNL-HOJAQTOUSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001479689128 1392320564 /nfs/dbraw/zinc/32/05/64/1392320564.db2.gz XZBQZLGCYBFAJO-QUCCMNQESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479745469 1392361317 /nfs/dbraw/zinc/36/13/17/1392361317.db2.gz LGTQJLXBWHCQCI-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001479995275 1392526796 /nfs/dbraw/zinc/52/67/96/1392526796.db2.gz JRXHXKONSGWQDJ-AZUAARDMSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254539 1392639916 /nfs/dbraw/zinc/63/99/16/1392639916.db2.gz DHQNWHMFHMBNNE-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480254539 1392639917 /nfs/dbraw/zinc/63/99/17/1392639917.db2.gz DHQNWHMFHMBNNE-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480254539 1392639920 /nfs/dbraw/zinc/63/99/20/1392639920.db2.gz DHQNWHMFHMBNNE-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372387 1392713882 /nfs/dbraw/zinc/71/38/82/1392713882.db2.gz JZNTXBMPTSXKIP-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480372387 1392713885 /nfs/dbraw/zinc/71/38/85/1392713885.db2.gz JZNTXBMPTSXKIP-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001490617185 1394284754 /nfs/dbraw/zinc/28/47/54/1394284754.db2.gz OICRQWMLMSXHKC-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434818 1394290572 /nfs/dbraw/zinc/29/05/72/1394290572.db2.gz FGXVVPBQCPYYBG-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481434818 1394290577 /nfs/dbraw/zinc/29/05/77/1394290577.db2.gz FGXVVPBQCPYYBG-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481434818 1394290581 /nfs/dbraw/zinc/29/05/81/1394290581.db2.gz FGXVVPBQCPYYBG-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001481678427 1394444619 /nfs/dbraw/zinc/44/46/19/1394444619.db2.gz TVFRYDJGMOARHK-AABGKKOBSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001481678427 1394444621 /nfs/dbraw/zinc/44/46/21/1394444621.db2.gz TVFRYDJGMOARHK-AABGKKOBSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001481678427 1394444623 /nfs/dbraw/zinc/44/46/23/1394444623.db2.gz TVFRYDJGMOARHK-AABGKKOBSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001482453444 1395011965 /nfs/dbraw/zinc/01/19/65/1395011965.db2.gz BGLSAESLLWHTAC-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482495637 1395047529 /nfs/dbraw/zinc/04/75/29/1395047529.db2.gz RWESNYXWRVMSRO-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163892 1395299479 /nfs/dbraw/zinc/29/94/79/1395299479.db2.gz PSEZIHWZGGGRDE-UYAOXDASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988433 1406774240 /nfs/dbraw/zinc/77/42/40/1406774240.db2.gz BFOBUELRCSUXPE-IEBWSBKVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988433 1406774243 /nfs/dbraw/zinc/77/42/43/1406774243.db2.gz BFOBUELRCSUXPE-IEBWSBKVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001698988433 1406774245 /nfs/dbraw/zinc/77/42/45/1406774245.db2.gz BFOBUELRCSUXPE-IEBWSBKVSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001485482614 1395966554 /nfs/dbraw/zinc/96/65/54/1395966554.db2.gz NBCRNWCVEWHSHF-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001485482614 1395966557 /nfs/dbraw/zinc/96/65/57/1395966557.db2.gz NBCRNWCVEWHSHF-SFHVURJKSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493832094 1396343549 /nfs/dbraw/zinc/34/35/49/1396343549.db2.gz WVCJZTFULLAFFQ-IRXDYDNUSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496396644 1396687148 /nfs/dbraw/zinc/68/71/48/1396687148.db2.gz RKMDZGPPLMYNMF-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001689178436 1396959738 /nfs/dbraw/zinc/95/97/38/1396959738.db2.gz FLEUFSMARHUVTQ-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001689178436 1396959743 /nfs/dbraw/zinc/95/97/43/1396959743.db2.gz FLEUFSMARHUVTQ-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001689178436 1396959745 /nfs/dbraw/zinc/95/97/45/1396959745.db2.gz FLEUFSMARHUVTQ-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048176 1404961563 /nfs/dbraw/zinc/96/15/63/1404961563.db2.gz NBRGOIKMNDZGFI-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691048176 1404961566 /nfs/dbraw/zinc/96/15/66/1404961566.db2.gz NBRGOIKMNDZGFI-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001691048176 1404961572 /nfs/dbraw/zinc/96/15/72/1404961572.db2.gz NBRGOIKMNDZGFI-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001691818552 1405533289 /nfs/dbraw/zinc/53/32/89/1405533289.db2.gz FJVKZRDQPYTJGR-QZTJIDSGSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818552 1405533291 /nfs/dbraw/zinc/53/32/91/1405533291.db2.gz FJVKZRDQPYTJGR-QZTJIDSGSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001691818552 1405533292 /nfs/dbraw/zinc/53/32/92/1405533292.db2.gz FJVKZRDQPYTJGR-QZTJIDSGSA-N 2 1 337.552 3.290 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699756241 1413163153 /nfs/dbraw/zinc/16/31/53/1413163153.db2.gz AKLVOBACCLODJM-FHWLQOOXSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001699769963 1413175551 /nfs/dbraw/zinc/17/55/51/1413175551.db2.gz CFZZKIMZRYDQPF-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001699805626 1413220621 /nfs/dbraw/zinc/22/06/21/1413220621.db2.gz VUWDHUFUEMUOFV-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001699874396 1413327302 /nfs/dbraw/zinc/32/73/02/1413327302.db2.gz OQVQOUYNCHVUCR-PZJWPPBQSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001699874396 1413327306 /nfs/dbraw/zinc/32/73/06/1413327306.db2.gz OQVQOUYNCHVUCR-PZJWPPBQSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001699874396 1413327311 /nfs/dbraw/zinc/32/73/11/1413327311.db2.gz OQVQOUYNCHVUCR-PZJWPPBQSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001700252370 1413699132 /nfs/dbraw/zinc/69/91/32/1413699132.db2.gz ICJNJTDHTKUXRN-FQEVSTJZSA-N 2 1 343.515 3.315 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700290466 1413741837 /nfs/dbraw/zinc/74/18/37/1413741837.db2.gz OJYZMJSCXMKERM-MSOLQXFVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001700290466 1413741840 /nfs/dbraw/zinc/74/18/40/1413741840.db2.gz OJYZMJSCXMKERM-MSOLQXFVSA-N 2 1 337.552 3.268 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001700290466 1413741844 /nfs/dbraw/zinc/74/18/44/1413741844.db2.gz OJYZMJSCXMKERM-MSOLQXFVSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293885 1413751152 /nfs/dbraw/zinc/75/11/52/1413751152.db2.gz KLJMPZDLTADMSW-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001700352971 1413849176 /nfs/dbraw/zinc/84/91/76/1413849176.db2.gz JIXFDZIVGDUUHP-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001700352971 1413849181 /nfs/dbraw/zinc/84/91/81/1413849181.db2.gz JIXFDZIVGDUUHP-MSOLQXFVSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361301 1413875103 /nfs/dbraw/zinc/87/51/03/1413875103.db2.gz BJGCGXXLYQDBDA-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566491 1414234386 /nfs/dbraw/zinc/23/43/86/1414234386.db2.gz DVBXDGAHGXSJLQ-QGZVFWFLSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001700693952 1414347241 /nfs/dbraw/zinc/34/72/41/1414347241.db2.gz OHZUTZNBKHIWGX-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001700693952 1414347248 /nfs/dbraw/zinc/34/72/48/1414347248.db2.gz OHZUTZNBKHIWGX-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001700693952 1414347250 /nfs/dbraw/zinc/34/72/50/1414347250.db2.gz OHZUTZNBKHIWGX-HXUWFJFHSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001712966380 1417519836 /nfs/dbraw/zinc/51/98/36/1417519836.db2.gz CGBJGDPUBOZRBN-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001712966380 1417519843 /nfs/dbraw/zinc/51/98/43/1417519843.db2.gz CGBJGDPUBOZRBN-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001712966380 1417519848 /nfs/dbraw/zinc/51/98/48/1417519848.db2.gz CGBJGDPUBOZRBN-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713052713 1417605181 /nfs/dbraw/zinc/60/51/81/1417605181.db2.gz IJZLQJRYAWHKMS-LJQANCHMSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713259475 1417867607 /nfs/dbraw/zinc/86/76/07/1417867607.db2.gz UFJYHHMWRPAVRZ-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001713766454 1418580369 /nfs/dbraw/zinc/58/03/69/1418580369.db2.gz AFHQISKCSDPYKT-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001713766454 1418580372 /nfs/dbraw/zinc/58/03/72/1418580372.db2.gz AFHQISKCSDPYKT-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001713766454 1418580374 /nfs/dbraw/zinc/58/03/74/1418580374.db2.gz AFHQISKCSDPYKT-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001714067788 1418863989 /nfs/dbraw/zinc/86/39/89/1418863989.db2.gz SFUZILRBZBVXEO-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001714307531 1419087759 /nfs/dbraw/zinc/08/77/59/1419087759.db2.gz IBPDFCGDFIHNEG-KZNAEPCWSA-N 2 1 337.552 3.336 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714627197 1419398098 /nfs/dbraw/zinc/39/80/98/1419398098.db2.gz YYLCUMIOVVJNNY-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001714803144 1419516805 /nfs/dbraw/zinc/51/68/05/1419516805.db2.gz KQXPBTDSTTVTMP-PKOBYXMFSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001714999041 1419730089 /nfs/dbraw/zinc/73/00/89/1419730089.db2.gz RPOAVDOFRBIPPC-RBUKOAKNSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001715478511 1420157175 /nfs/dbraw/zinc/15/71/75/1420157175.db2.gz XLSLPXPCHPBCRD-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001715478511 1420157177 /nfs/dbraw/zinc/15/71/77/1420157177.db2.gz XLSLPXPCHPBCRD-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001715478511 1420157178 /nfs/dbraw/zinc/15/71/78/1420157178.db2.gz XLSLPXPCHPBCRD-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715480233 1420158743 /nfs/dbraw/zinc/15/87/43/1420158743.db2.gz WTQPMRNXOQECCS-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715484293 1420164025 /nfs/dbraw/zinc/16/40/25/1420164025.db2.gz GICLPUVTCAJZMB-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001733271199 1429433687 /nfs/dbraw/zinc/43/36/87/1429433687.db2.gz OQQWIAWKZOXORQ-OLPBJYBYSA-N 2 1 347.547 3.185 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCCCC1 ZINC001716713867 1420867747 /nfs/dbraw/zinc/86/77/47/1420867747.db2.gz PRCWXKIIGRRCPK-FQEVSTJZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CCCCCC1 ZINC001716713867 1420867751 /nfs/dbraw/zinc/86/77/51/1420867751.db2.gz PRCWXKIIGRRCPK-FQEVSTJZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CCCCCC1 ZINC001716713867 1420867755 /nfs/dbraw/zinc/86/77/55/1420867755.db2.gz PRCWXKIIGRRCPK-FQEVSTJZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001716888052 1421011503 /nfs/dbraw/zinc/01/15/03/1421011503.db2.gz JUHSHZLDDVKMTR-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717036603 1421090349 /nfs/dbraw/zinc/09/03/49/1421090349.db2.gz GBBZHFWBWULJMQ-VAMGGRTRSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717036603 1421090353 /nfs/dbraw/zinc/09/03/53/1421090353.db2.gz GBBZHFWBWULJMQ-VAMGGRTRSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001717036603 1421090354 /nfs/dbraw/zinc/09/03/54/1421090354.db2.gz GBBZHFWBWULJMQ-VAMGGRTRSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001717115468 1421119370 /nfs/dbraw/zinc/11/93/70/1421119370.db2.gz MJZHSIAVQRZVOK-PXNSSMCTSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001717128019 1421129407 /nfs/dbraw/zinc/12/94/07/1421129407.db2.gz LQTHDADXLPTJFI-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717338947 1421276889 /nfs/dbraw/zinc/27/68/89/1421276889.db2.gz GKSGGTLFMXEJHW-XLIONFOSSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001733436531 1429643952 /nfs/dbraw/zinc/64/39/52/1429643952.db2.gz ATESCGRZYOHKGH-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733449108 1429660132 /nfs/dbraw/zinc/66/01/32/1429660132.db2.gz XHHZQEHPYBFPBG-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001733458381 1429678738 /nfs/dbraw/zinc/67/87/38/1429678738.db2.gz DXHHFRHLGZZECW-LJQANCHMSA-N 2 1 349.544 3.218 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001723631287 1424498304 /nfs/dbraw/zinc/49/83/04/1424498304.db2.gz HNQRBSBHKVVMLC-MSOLQXFVSA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001723631287 1424498310 /nfs/dbraw/zinc/49/83/10/1424498310.db2.gz HNQRBSBHKVVMLC-MSOLQXFVSA-N 2 1 344.503 3.038 10 30 EGEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001723964576 1424613158 /nfs/dbraw/zinc/61/31/58/1424613158.db2.gz UJTFVDDBBOHIIH-QZTJIDSGSA-N 2 1 349.906 3.013 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001724306921 1424789227 /nfs/dbraw/zinc/78/92/27/1424789227.db2.gz OXRIXIJNRISKJV-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652451 1425013157 /nfs/dbraw/zinc/01/31/57/1425013157.db2.gz FPYDAUDSYSAKJR-RTBURBONSA-N 2 1 349.563 3.364 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724991860 1425395070 /nfs/dbraw/zinc/39/50/70/1425395070.db2.gz IRLUOLUBHYYWAY-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001724991860 1425395075 /nfs/dbraw/zinc/39/50/75/1425395075.db2.gz IRLUOLUBHYYWAY-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001724991860 1425395080 /nfs/dbraw/zinc/39/50/80/1425395080.db2.gz IRLUOLUBHYYWAY-DLBZAZTESA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725046356 1425476789 /nfs/dbraw/zinc/47/67/89/1425476789.db2.gz ZQFQADRXEKMXNG-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725046356 1425476792 /nfs/dbraw/zinc/47/67/92/1425476792.db2.gz ZQFQADRXEKMXNG-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725046356 1425476794 /nfs/dbraw/zinc/47/67/94/1425476794.db2.gz ZQFQADRXEKMXNG-GOSISDBHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737668 1426412685 /nfs/dbraw/zinc/41/26/85/1426412685.db2.gz DTMRIQHRENGTPZ-HKUYNNGSSA-N 2 1 349.563 3.338 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001731427971 1427409852 /nfs/dbraw/zinc/40/98/52/1427409852.db2.gz HBVDFUPLMRGSBN-HDICACEKSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731500930 1427481372 /nfs/dbraw/zinc/48/13/72/1427481372.db2.gz FONMJTDZDPWKHL-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731500930 1427481374 /nfs/dbraw/zinc/48/13/74/1427481374.db2.gz FONMJTDZDPWKHL-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731500930 1427481377 /nfs/dbraw/zinc/48/13/77/1427481377.db2.gz FONMJTDZDPWKHL-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562190 1427600050 /nfs/dbraw/zinc/60/00/50/1427600050.db2.gz XPCZUKUZTQSEGO-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835572 1428051024 /nfs/dbraw/zinc/05/10/24/1428051024.db2.gz SDYBBVVXKXNJDZ-XLIONFOSSA-N 2 1 343.515 3.297 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599018 1429798558 /nfs/dbraw/zinc/79/85/58/1429798558.db2.gz BDLLWOBQOWZPGM-RTBURBONSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001733599018 1429798561 /nfs/dbraw/zinc/79/85/61/1429798561.db2.gz BDLLWOBQOWZPGM-RTBURBONSA-N 2 1 346.519 3.227 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001733682848 1429896486 /nfs/dbraw/zinc/89/64/86/1429896486.db2.gz AHWDZTCIMBSIQP-ZWKOTPCHSA-N 2 1 343.515 3.261 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733687604 1429903589 /nfs/dbraw/zinc/90/35/89/1429903589.db2.gz QTCDWZYVCCHLGK-UFYCRDLUSA-N 2 1 349.563 3.338 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001733763034 1429980074 /nfs/dbraw/zinc/98/00/74/1429980074.db2.gz SRDRAMRIMWIABH-LJQANCHMSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782350 1430049114 /nfs/dbraw/zinc/04/91/14/1430049114.db2.gz GOLIYAXGMMXEKA-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733875139 1437701298 /nfs/dbraw/zinc/70/12/98/1437701298.db2.gz HVOOVKHKMQCAQK-IBGZPJMESA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001733898230 1437715391 /nfs/dbraw/zinc/71/53/91/1437715391.db2.gz IFWUEIZSCKBBEF-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440909 1438103335 /nfs/dbraw/zinc/10/33/35/1438103335.db2.gz NNJDZKJVJTVYNF-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440909 1438103337 /nfs/dbraw/zinc/10/33/37/1438103337.db2.gz NNJDZKJVJTVYNF-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440909 1438103339 /nfs/dbraw/zinc/10/33/39/1438103339.db2.gz NNJDZKJVJTVYNF-FXAWDEMLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001750946625 1440119041 /nfs/dbraw/zinc/11/90/41/1440119041.db2.gz INDQBDZQEMSDGW-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946625 1440119042 /nfs/dbraw/zinc/11/90/42/1440119042.db2.gz INDQBDZQEMSDGW-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946625 1440119043 /nfs/dbraw/zinc/11/90/43/1440119043.db2.gz INDQBDZQEMSDGW-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@H]2CCC[C@@H]21 ZINC000367616025 168249453 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CSC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000429308380 458314962 /nfs/dbraw/zinc/31/49/62/458314962.db2.gz QBZTZEBTRAYMAK-HDICACEKSA-N 2 1 340.602 3.140 10 30 EGEEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(C#N)c1 ZINC000611303152 460333171 /nfs/dbraw/zinc/33/31/71/460333171.db2.gz IUHCEOPNAMYMKL-UHFFFAOYSA-N 2 1 335.455 3.087 10 30 EGEEMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293117 461169325 /nfs/dbraw/zinc/16/93/25/461169325.db2.gz JXFYGGWOHOMNTF-LJQANCHMSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC[NH2+]1 ZINC000662749650 461364291 /nfs/dbraw/zinc/36/42/91/461364291.db2.gz GJFJJCIJDGMXPL-QRWLVFNGSA-N 2 1 338.455 3.056 10 30 EGEEMP C=CCCCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638394936 461404540 /nfs/dbraw/zinc/40/45/40/461404540.db2.gz NBDNNFPMMHVBRG-UHFFFAOYSA-N 2 1 343.515 3.233 10 30 EGEEMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1Cc2ccccc2O1 ZINC000883177800 1302286895 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DUPRSKNLDXFJKV-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163370 1405099453 /nfs/dbraw/zinc/09/94/53/1405099453.db2.gz UVVNHCQSLNTQPQ-MJGOQNOKSA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)(C)C ZINC001725748446 1426426769 /nfs/dbraw/zinc/42/67/69/1426426769.db2.gz ALIGDZAWUHMTJN-RBUKOAKNSA-N 2 1 345.531 3.376 10 30 EGEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691632653 1405369966 /nfs/dbraw/zinc/36/99/66/1405369966.db2.gz NHDPQDPYCARYEK-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691632655 1405370071 /nfs/dbraw/zinc/37/00/71/1405370071.db2.gz NHDPQDPYCARYEK-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001691818465 1405533102 /nfs/dbraw/zinc/53/31/02/1405533102.db2.gz CWVKVVFYKZUPAQ-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818465 1405533104 /nfs/dbraw/zinc/53/31/04/1405533104.db2.gz CWVKVVFYKZUPAQ-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691818465 1405533110 /nfs/dbraw/zinc/53/31/10/1405533110.db2.gz CWVKVVFYKZUPAQ-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001698573709 1406180673 /nfs/dbraw/zinc/18/06/73/1406180673.db2.gz BVQMYRFTJWOTAK-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001698573709 1406180677 /nfs/dbraw/zinc/18/06/77/1406180677.db2.gz BVQMYRFTJWOTAK-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001698573709 1406180678 /nfs/dbraw/zinc/18/06/78/1406180678.db2.gz BVQMYRFTJWOTAK-MOPGFXCFSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698582448 1406195164 /nfs/dbraw/zinc/19/51/64/1406195164.db2.gz RFUHFGKTRGLZGT-PMACEKPBSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001732017671 1428234239 /nfs/dbraw/zinc/23/42/39/1428234239.db2.gz NEUSFIIAIAWTHC-WOJBJXKFSA-N 2 1 343.515 3.227 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001732289450 1428515956 /nfs/dbraw/zinc/51/59/56/1428515956.db2.gz WDBBJQOCMHFJAE-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001732313749 1428525515 /nfs/dbraw/zinc/52/55/15/1428525515.db2.gz XASOBLNHLVROKC-CADBVGFASA-N 2 1 335.536 3.233 10 30 EGEEMP C=CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699672843 1413063888 /nfs/dbraw/zinc/06/38/88/1413063888.db2.gz FTNGDIQFDUEDME-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672843 1413063893 /nfs/dbraw/zinc/06/38/93/1413063893.db2.gz FTNGDIQFDUEDME-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672843 1413063895 /nfs/dbraw/zinc/06/38/95/1413063895.db2.gz FTNGDIQFDUEDME-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699769575 1413175410 /nfs/dbraw/zinc/17/54/10/1413175410.db2.gz XKUFFYMKESCQCR-ROUUACIJSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699769576 1413175546 /nfs/dbraw/zinc/17/55/46/1413175546.db2.gz XKUFFYMKESCQCR-ZWKOTPCHSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001699879838 1413345806 /nfs/dbraw/zinc/34/58/06/1413345806.db2.gz ZGZMVRMKXJKJNN-CTNGQTDRSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001699976069 1413417131 /nfs/dbraw/zinc/41/71/31/1413417131.db2.gz MWFOTGZQTNEVMX-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001699976069 1413417134 /nfs/dbraw/zinc/41/71/34/1413417134.db2.gz MWFOTGZQTNEVMX-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001699976069 1413417138 /nfs/dbraw/zinc/41/71/38/1413417138.db2.gz MWFOTGZQTNEVMX-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001707455872 1417358455 /nfs/dbraw/zinc/35/84/55/1417358455.db2.gz SJQHKGQLILYKPK-UHFFFAOYSA-N 2 1 328.460 3.051 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713435225 1418065286 /nfs/dbraw/zinc/06/52/86/1418065286.db2.gz YPEQBOGQEUAPPX-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720087 1418491823 /nfs/dbraw/zinc/49/18/23/1418491823.db2.gz NUDJMCIULBWVKZ-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001714266575 1419047889 /nfs/dbraw/zinc/04/78/89/1419047889.db2.gz ZGGCCXOKUPKSBB-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001714632792 1419404037 /nfs/dbraw/zinc/40/40/37/1419404037.db2.gz BSAJVMVFYCFYHE-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714632792 1419404040 /nfs/dbraw/zinc/40/40/40/1419404040.db2.gz BSAJVMVFYCFYHE-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714632792 1419404041 /nfs/dbraw/zinc/40/40/41/1419404041.db2.gz BSAJVMVFYCFYHE-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001714914869 1419664306 /nfs/dbraw/zinc/66/43/06/1419664306.db2.gz ZQAKHIXCVPVFSX-UXHICEINSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001715176611 1419912209 /nfs/dbraw/zinc/91/22/09/1419912209.db2.gz QZBOVDFVFWOFEH-HXUWFJFHSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715473013 1420152065 /nfs/dbraw/zinc/15/20/65/1420152065.db2.gz KRYZPXKWOPQAEZ-MSOLQXFVSA-N 2 1 337.552 3.147 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001715485929 1420167049 /nfs/dbraw/zinc/16/70/49/1420167049.db2.gz ZOOZPWULABARED-UHFFFAOYSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001716725025 1420883450 /nfs/dbraw/zinc/88/34/50/1420883450.db2.gz QXGMLWWEFBJCBQ-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716725025 1420883453 /nfs/dbraw/zinc/88/34/53/1420883453.db2.gz QXGMLWWEFBJCBQ-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716725025 1420883457 /nfs/dbraw/zinc/88/34/57/1420883457.db2.gz QXGMLWWEFBJCBQ-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001716766172 1420911790 /nfs/dbraw/zinc/91/17/90/1420911790.db2.gz VAOYQTLSRYDNLB-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716777394 1420917511 /nfs/dbraw/zinc/91/75/11/1420917511.db2.gz JUDTWVOBLHWXRO-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001716830867 1420958530 /nfs/dbraw/zinc/95/85/30/1420958530.db2.gz YOVRKHGDIMVRFL-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716874486 1421001190 /nfs/dbraw/zinc/00/11/90/1421001190.db2.gz DPTFZNSGUAZHLT-YLJYHZDGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716966204 1421055075 /nfs/dbraw/zinc/05/50/75/1421055075.db2.gz NXMBTELJOGBRIK-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001716996137 1421065531 /nfs/dbraw/zinc/06/55/31/1421065531.db2.gz JFUCSRWGSJUVDR-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001716996137 1421065534 /nfs/dbraw/zinc/06/55/34/1421065534.db2.gz JFUCSRWGSJUVDR-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001716996137 1421065536 /nfs/dbraw/zinc/06/55/36/1421065536.db2.gz JFUCSRWGSJUVDR-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717202330 1421170495 /nfs/dbraw/zinc/17/04/95/1421170495.db2.gz QQQOEKLYEQMHKF-FQEVSTJZSA-N 2 1 343.515 3.299 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246503 1421217489 /nfs/dbraw/zinc/21/74/89/1421217489.db2.gz NMJILLPFJWIIGU-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001717246503 1421217492 /nfs/dbraw/zinc/21/74/92/1421217492.db2.gz NMJILLPFJWIIGU-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001717246503 1421217494 /nfs/dbraw/zinc/21/74/94/1421217494.db2.gz NMJILLPFJWIIGU-RXVVDRJESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC001733380280 1429564149 /nfs/dbraw/zinc/56/41/49/1429564149.db2.gz OEZSYGLEPABLBO-ICSRJNTNSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419368 1429625272 /nfs/dbraw/zinc/62/52/72/1429625272.db2.gz VQOIPQHITGOCPG-UTKZUKDTSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733538558 1429744600 /nfs/dbraw/zinc/74/46/00/1429744600.db2.gz UWPXDEWFNMQKNV-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001724294569 1424778938 /nfs/dbraw/zinc/77/89/38/1424778938.db2.gz QIWBBPCSONJHTL-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001724322433 1424807620 /nfs/dbraw/zinc/80/76/20/1424807620.db2.gz DGCUYHCYPHKUJJ-FQEVSTJZSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001724322433 1424807623 /nfs/dbraw/zinc/80/76/23/1424807623.db2.gz DGCUYHCYPHKUJJ-FQEVSTJZSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001724322433 1424807628 /nfs/dbraw/zinc/80/76/28/1424807628.db2.gz DGCUYHCYPHKUJJ-FQEVSTJZSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001724737708 1425096068 /nfs/dbraw/zinc/09/60/68/1425096068.db2.gz RSQQFEOROQESOT-YLJYHZDGSA-N 2 1 343.515 3.041 10 30 EGEEMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724737708 1425096074 /nfs/dbraw/zinc/09/60/74/1425096074.db2.gz RSQQFEOROQESOT-YLJYHZDGSA-N 2 1 343.515 3.041 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724737708 1425096081 /nfs/dbraw/zinc/09/60/81/1425096081.db2.gz RSQQFEOROQESOT-YLJYHZDGSA-N 2 1 343.515 3.041 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965343 1425356482 /nfs/dbraw/zinc/35/64/82/1425356482.db2.gz HCKSEYKBHHLMLU-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965343 1425356489 /nfs/dbraw/zinc/35/64/89/1425356489.db2.gz HCKSEYKBHHLMLU-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965343 1425356493 /nfs/dbraw/zinc/35/64/93/1425356493.db2.gz HCKSEYKBHHLMLU-IBGZPJMESA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001725025815 1425444473 /nfs/dbraw/zinc/44/44/73/1425444473.db2.gz JHEOTPLVJYYPQQ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001725025815 1425444476 /nfs/dbraw/zinc/44/44/76/1425444476.db2.gz JHEOTPLVJYYPQQ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001725025815 1425444477 /nfs/dbraw/zinc/44/44/77/1425444477.db2.gz JHEOTPLVJYYPQQ-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725058520 1425497829 /nfs/dbraw/zinc/49/78/29/1425497829.db2.gz LJOBZUITUAAZJU-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725058520 1425497832 /nfs/dbraw/zinc/49/78/32/1425497832.db2.gz LJOBZUITUAAZJU-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001725423810 1426079580 /nfs/dbraw/zinc/07/95/80/1426079580.db2.gz XHXGYYLIJIHEFI-UHFFFAOYSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001725423810 1426079584 /nfs/dbraw/zinc/07/95/84/1426079584.db2.gz XHXGYYLIJIHEFI-UHFFFAOYSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001725423810 1426079591 /nfs/dbraw/zinc/07/95/91/1426079591.db2.gz XHXGYYLIJIHEFI-UHFFFAOYSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001725671470 1426355597 /nfs/dbraw/zinc/35/55/97/1426355597.db2.gz SVUILPPWRKYGPU-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731415175 1427385040 /nfs/dbraw/zinc/38/50/40/1427385040.db2.gz GZVRTESHVOJEJD-LJQANCHMSA-N 2 1 349.563 3.245 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731536970 1427535907 /nfs/dbraw/zinc/53/59/07/1427535907.db2.gz PLYSLWZMUVJILC-VQTJNVASSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001733941789 1437758040 /nfs/dbraw/zinc/75/80/40/1437758040.db2.gz QBGBQRJLVMDIRJ-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001733941789 1437758042 /nfs/dbraw/zinc/75/80/42/1437758042.db2.gz QBGBQRJLVMDIRJ-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001733941789 1437758045 /nfs/dbraw/zinc/75/80/45/1437758045.db2.gz QBGBQRJLVMDIRJ-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734032796 1437820780 /nfs/dbraw/zinc/82/07/80/1437820780.db2.gz AXOHTHNSNQSDRV-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032796 1437820781 /nfs/dbraw/zinc/82/07/81/1437820781.db2.gz AXOHTHNSNQSDRV-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001734032796 1437820782 /nfs/dbraw/zinc/82/07/82/1437820782.db2.gz AXOHTHNSNQSDRV-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734105169 1437891101 /nfs/dbraw/zinc/89/11/01/1437891101.db2.gz BVCJVUWEQZBAOG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734105169 1437891103 /nfs/dbraw/zinc/89/11/03/1437891103.db2.gz BVCJVUWEQZBAOG-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001734117229 1437899123 /nfs/dbraw/zinc/89/91/23/1437899123.db2.gz PXPMGOZQOIKWCI-IAGOWNOFSA-N 2 1 349.563 3.431 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146204 1437914514 /nfs/dbraw/zinc/91/45/14/1437914514.db2.gz OZXOYWFKBZFOKI-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146204 1437914515 /nfs/dbraw/zinc/91/45/15/1437914515.db2.gz OZXOYWFKBZFOKI-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146204 1437914516 /nfs/dbraw/zinc/91/45/16/1437914516.db2.gz OZXOYWFKBZFOKI-RBUKOAKNSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001734147820 1437915805 /nfs/dbraw/zinc/91/58/05/1437915805.db2.gz JSGAVXNXKOXARO-GOSISDBHSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001734195934 1437936950 /nfs/dbraw/zinc/93/69/50/1437936950.db2.gz PRTGDODAXVRIMI-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195934 1437936951 /nfs/dbraw/zinc/93/69/51/1437936951.db2.gz PRTGDODAXVRIMI-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195934 1437936953 /nfs/dbraw/zinc/93/69/53/1437936953.db2.gz PRTGDODAXVRIMI-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734633834 1438194381 /nfs/dbraw/zinc/19/43/81/1438194381.db2.gz KEDMACVZBJRODR-QGZVFWFLSA-N 2 1 344.503 3.110 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734633834 1438194382 /nfs/dbraw/zinc/19/43/82/1438194382.db2.gz KEDMACVZBJRODR-QGZVFWFLSA-N 2 1 344.503 3.110 10 30 EGEEMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352802392 456321598 /nfs/dbraw/zinc/32/15/98/456321598.db2.gz SQSGOLAEVBTFBJ-CQSZACIVSA-N 2 1 325.378 3.399 10 30 EGEEMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352802392 456321604 /nfs/dbraw/zinc/32/16/04/456321604.db2.gz SQSGOLAEVBTFBJ-CQSZACIVSA-N 2 1 325.378 3.399 10 30 EGEEMP COc1c[nH+]ccc1N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411664891 457943580 /nfs/dbraw/zinc/94/35/80/457943580.db2.gz RZKVMFNWSDTBJJ-UHFFFAOYSA-N 2 1 328.460 3.076 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770360 458589380 /nfs/dbraw/zinc/58/93/80/458589380.db2.gz UOEMWDLNSJEMLS-FXAWDEMLSA-N 2 1 348.918 3.418 10 30 EGEEMP N#CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000596651312 459714742 /nfs/dbraw/zinc/71/47/42/459714742.db2.gz MLOYESTXXFLYNW-FXAWDEMLSA-N 2 1 325.456 3.306 10 30 EGEEMP C[N@H+](Cc1ccc(Br)cc1C#N)CC1CC[NH+](C)CC1 ZINC000312844776 1297117632 /nfs/dbraw/zinc/11/76/32/1297117632.db2.gz WSLPQCWJAVDYPY-UHFFFAOYSA-N 2 1 336.277 3.094 10 30 EGEEMP C#CCCCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174526 1299796122 /nfs/dbraw/zinc/79/61/22/1299796122.db2.gz QIIMQFSXWAVUDU-UHFFFAOYSA-N 3 1 333.564 3.308 10 30 EGEEMP C#CCCCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174526 1299796133 /nfs/dbraw/zinc/79/61/33/1299796133.db2.gz QIIMQFSXWAVUDU-UHFFFAOYSA-N 3 1 333.564 3.308 10 30 EGEEMP C#CCCCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174526 1299796141 /nfs/dbraw/zinc/79/61/41/1299796141.db2.gz QIIMQFSXWAVUDU-UHFFFAOYSA-N 3 1 333.564 3.308 10 30 EGEEMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1Cc2ccccc2O1 ZINC000883171663 1302282696 /nfs/dbraw/zinc/28/26/96/1302282696.db2.gz FDALPAONBOWTTQ-LKUPVBHCSA-N 2 1 326.484 3.399 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075492 1331321728 /nfs/dbraw/zinc/32/17/28/1331321728.db2.gz NCBHYBTULKTYBI-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001323150191 1387303176 /nfs/dbraw/zinc/30/31/76/1387303176.db2.gz QAVMECPTANROHD-PKOBYXMFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816308 1387467164 /nfs/dbraw/zinc/46/71/64/1387467164.db2.gz NOESBWJNBPQXQP-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001323817104 1387467459 /nfs/dbraw/zinc/46/74/59/1387467459.db2.gz WTFMQEAHSAAOEI-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817104 1387467460 /nfs/dbraw/zinc/46/74/60/1387467460.db2.gz WTFMQEAHSAAOEI-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817104 1387467461 /nfs/dbraw/zinc/46/74/61/1387467461.db2.gz WTFMQEAHSAAOEI-PZJWPPBQSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC001324517364 1387658492 /nfs/dbraw/zinc/65/84/92/1387658492.db2.gz GRHCBSLXKATXSM-PMACEKPBSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974487 1387863196 /nfs/dbraw/zinc/86/31/96/1387863196.db2.gz ABNYOUZDHMJUJH-TZIWHRDSSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001325630934 1388016774 /nfs/dbraw/zinc/01/67/74/1388016774.db2.gz YRWWEFNBIGZOLB-ACDBMABISA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127921 1388391983 /nfs/dbraw/zinc/39/19/83/1388391983.db2.gz ZBDSHEKWUOEDEB-PMACEKPBSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269812603 1377575364 /nfs/dbraw/zinc/57/53/64/1377575364.db2.gz MLHLRDIYZYXBFE-INIZCTEOSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269812604 1377575734 /nfs/dbraw/zinc/57/57/34/1377575734.db2.gz MLHLRDIYZYXBFE-MRXNPFEDSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058357 1379410318 /nfs/dbraw/zinc/41/03/18/1379410318.db2.gz QJGSWDYCGIHRFO-ANTGDGSKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058357 1379410320 /nfs/dbraw/zinc/41/03/20/1379410320.db2.gz QJGSWDYCGIHRFO-ANTGDGSKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058357 1379410324 /nfs/dbraw/zinc/41/03/24/1379410324.db2.gz QJGSWDYCGIHRFO-ANTGDGSKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127821 1379503569 /nfs/dbraw/zinc/50/35/69/1379503569.db2.gz FQYAKYRMAFXENB-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001284127821 1379503576 /nfs/dbraw/zinc/50/35/76/1379503576.db2.gz FQYAKYRMAFXENB-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001284127821 1379503582 /nfs/dbraw/zinc/50/35/82/1379503582.db2.gz FQYAKYRMAFXENB-AEFFLSMTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328083524 1388666361 /nfs/dbraw/zinc/66/63/61/1388666361.db2.gz VMQCKCDUFGZEPD-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083524 1388666363 /nfs/dbraw/zinc/66/63/63/1388666363.db2.gz VMQCKCDUFGZEPD-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083524 1388666365 /nfs/dbraw/zinc/66/63/65/1388666365.db2.gz VMQCKCDUFGZEPD-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001316774004 1384572716 /nfs/dbraw/zinc/57/27/16/1384572716.db2.gz SCWFZFQKFQYZCH-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317050670 1384827288 /nfs/dbraw/zinc/82/72/88/1384827288.db2.gz LCRSLOPVGROYDZ-LWYYNNOASA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317050670 1384827291 /nfs/dbraw/zinc/82/72/91/1384827291.db2.gz LCRSLOPVGROYDZ-LWYYNNOASA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317050670 1384827295 /nfs/dbraw/zinc/82/72/95/1384827295.db2.gz LCRSLOPVGROYDZ-LWYYNNOASA-N 2 1 349.563 3.362 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317955108 1385585419 /nfs/dbraw/zinc/58/54/19/1385585419.db2.gz DVZPIUKTKAYHNT-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001318906571 1385877611 /nfs/dbraw/zinc/87/76/11/1385877611.db2.gz BVJZNOYPQIHMSX-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001319144517 1385977903 /nfs/dbraw/zinc/97/79/03/1385977903.db2.gz HSUPETZOSUFILP-RTBURBONSA-N 2 1 349.563 3.242 10 30 EGEEMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001319881864 1386357996 /nfs/dbraw/zinc/35/79/96/1386357996.db2.gz UWSNPYQZICDQNA-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001319881864 1386358000 /nfs/dbraw/zinc/35/80/00/1386358000.db2.gz UWSNPYQZICDQNA-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001319881864 1386358007 /nfs/dbraw/zinc/35/80/07/1386358007.db2.gz UWSNPYQZICDQNA-FQEVSTJZSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480138656 1392598659 /nfs/dbraw/zinc/59/86/59/1392598659.db2.gz KUJMRUKMZWSMOH-NCXUSEDFSA-N 2 1 347.547 3.233 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001480403536 1392742157 /nfs/dbraw/zinc/74/21/57/1392742157.db2.gz QIZJOELBDXMXMS-QLOJAFMTSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742951 1392909631 /nfs/dbraw/zinc/90/96/31/1392909631.db2.gz SULOMRLDHOZSHY-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742951 1392909635 /nfs/dbraw/zinc/90/96/35/1392909635.db2.gz SULOMRLDHOZSHY-UXHICEINSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001698894507 1406626813 /nfs/dbraw/zinc/62/68/13/1406626813.db2.gz WVHFEIKFXVFQEW-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001482016848 1394673919 /nfs/dbraw/zinc/67/39/19/1394673919.db2.gz OAAXKYUDSXFWMG-QWFCFKBJSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001482043793 1394705228 /nfs/dbraw/zinc/70/52/28/1394705228.db2.gz WYBXUANQPNKQMW-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001482423057 1394984639 /nfs/dbraw/zinc/98/46/39/1394984639.db2.gz IHWFTMFFMYWGPC-HKUYNNGSSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484122263 1395264575 /nfs/dbraw/zinc/26/45/75/1395264575.db2.gz QOKZLFQXALCFKQ-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484164410 1395299496 /nfs/dbraw/zinc/29/94/96/1395299496.db2.gz WSUBLIZLNOQSOP-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001484164410 1395299501 /nfs/dbraw/zinc/29/95/01/1395299501.db2.gz WSUBLIZLNOQSOP-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001484164410 1395299506 /nfs/dbraw/zinc/29/95/06/1395299506.db2.gz WSUBLIZLNOQSOP-FPOVZHCZSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001689198220 1396969735 /nfs/dbraw/zinc/96/97/35/1396969735.db2.gz UMQWEATTWLJUQA-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001689198220 1396969739 /nfs/dbraw/zinc/96/97/39/1396969739.db2.gz UMQWEATTWLJUQA-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365852 1403706739 /nfs/dbraw/zinc/70/67/39/1403706739.db2.gz PWEGHKXBKUCLID-INIZCTEOSA-N 2 1 343.943 3.078 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690205726 1404414236 /nfs/dbraw/zinc/41/42/36/1404414236.db2.gz VMIWAUGJWDEWNB-ZGXWSNOMSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690205726 1404414240 /nfs/dbraw/zinc/41/42/40/1404414240.db2.gz VMIWAUGJWDEWNB-ZGXWSNOMSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690205726 1404414244 /nfs/dbraw/zinc/41/42/44/1404414244.db2.gz VMIWAUGJWDEWNB-ZGXWSNOMSA-N 2 1 349.563 3.362 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001691823691 1405540194 /nfs/dbraw/zinc/54/01/94/1405540194.db2.gz VKDDVFIPXUOOQE-GOSISDBHSA-N 2 1 337.552 3.291 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904969 1405628199 /nfs/dbraw/zinc/62/81/99/1405628199.db2.gz LSYUNSOLUUPJBB-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691904969 1405628202 /nfs/dbraw/zinc/62/82/02/1405628202.db2.gz LSYUNSOLUUPJBB-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691904969 1405628206 /nfs/dbraw/zinc/62/82/06/1405628206.db2.gz LSYUNSOLUUPJBB-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001692023112 1405742238 /nfs/dbraw/zinc/74/22/38/1405742238.db2.gz OGLOEVRCCGFFOV-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692023112 1405742239 /nfs/dbraw/zinc/74/22/39/1405742239.db2.gz OGLOEVRCCGFFOV-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692023112 1405742243 /nfs/dbraw/zinc/74/22/43/1405742243.db2.gz OGLOEVRCCGFFOV-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001692030438 1405747268 /nfs/dbraw/zinc/74/72/68/1405747268.db2.gz RBTFHQZULASKLP-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276307 1405910287 /nfs/dbraw/zinc/91/02/87/1405910287.db2.gz YJTKNUXYIBQKQU-QZTJIDSGSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732038774 1428263527 /nfs/dbraw/zinc/26/35/27/1428263527.db2.gz LBBNHBGMSLTKFN-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732075987 1428327355 /nfs/dbraw/zinc/32/73/55/1428327355.db2.gz MLWHHCXXZADGMB-LJQANCHMSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001732289451 1428516019 /nfs/dbraw/zinc/51/60/19/1428516019.db2.gz WDBBJQOCMHFJAE-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699672845 1413063668 /nfs/dbraw/zinc/06/36/68/1413063668.db2.gz FTNGDIQFDUEDME-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672845 1413063671 /nfs/dbraw/zinc/06/36/71/1413063671.db2.gz FTNGDIQFDUEDME-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672845 1413063674 /nfs/dbraw/zinc/06/36/74/1413063674.db2.gz FTNGDIQFDUEDME-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001699685205 1413083757 /nfs/dbraw/zinc/08/37/57/1413083757.db2.gz IQPCZZMJSNQDKV-FQEVSTJZSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001699879840 1413345553 /nfs/dbraw/zinc/34/55/53/1413345553.db2.gz ZGZMVRMKXJKJNN-PZJWPPBQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001699879841 1413346162 /nfs/dbraw/zinc/34/61/62/1413346162.db2.gz ZGZMVRMKXJKJNN-TZIWHRDSSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699982491 1413428351 /nfs/dbraw/zinc/42/83/51/1413428351.db2.gz ZTKLVAGGBKBJCU-SOIMTFEMSA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001700196328 1413637745 /nfs/dbraw/zinc/63/77/45/1413637745.db2.gz DEGNNARUFSXHEI-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196328 1413637749 /nfs/dbraw/zinc/63/77/49/1413637749.db2.gz DEGNNARUFSXHEI-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196328 1413637754 /nfs/dbraw/zinc/63/77/54/1413637754.db2.gz DEGNNARUFSXHEI-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359665 1413869109 /nfs/dbraw/zinc/86/91/09/1413869109.db2.gz RSBQMZWZIVRFBB-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700359665 1413869114 /nfs/dbraw/zinc/86/91/14/1413869114.db2.gz RSBQMZWZIVRFBB-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700359665 1413869119 /nfs/dbraw/zinc/86/91/19/1413869119.db2.gz RSBQMZWZIVRFBB-MSOLQXFVSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361303 1413874392 /nfs/dbraw/zinc/87/43/92/1413874392.db2.gz BJGCGXXLYQDBDA-UYAOXDASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700443249 1414016232 /nfs/dbraw/zinc/01/62/32/1414016232.db2.gz YQRHCVHZAFXVNS-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700576422 1414251456 /nfs/dbraw/zinc/25/14/56/1414251456.db2.gz NVOVRYVOMZGFCD-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713132038 1417706348 /nfs/dbraw/zinc/70/63/48/1417706348.db2.gz RFEJJJGIMHBECN-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713132038 1417706351 /nfs/dbraw/zinc/70/63/51/1417706351.db2.gz RFEJJJGIMHBECN-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713132038 1417706355 /nfs/dbraw/zinc/70/63/55/1417706355.db2.gz RFEJJJGIMHBECN-SFHVURJKSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713721142 1418494280 /nfs/dbraw/zinc/49/42/80/1418494280.db2.gz KNBWRAHEMHGEGS-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713897399 1418695860 /nfs/dbraw/zinc/69/58/60/1418695860.db2.gz JWHVIURNRUEDNV-IAGOWNOFSA-N 2 1 343.943 3.030 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001713910994 1418707387 /nfs/dbraw/zinc/70/73/87/1418707387.db2.gz XDFDMURQXJDUHV-INDMIFKZSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714035904 1418824844 /nfs/dbraw/zinc/82/48/44/1418824844.db2.gz BGOFTQCYUMXMAW-LJQANCHMSA-N 2 1 349.563 3.293 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714130253 1418933665 /nfs/dbraw/zinc/93/36/65/1418933665.db2.gz RDTZBKSFZNVMIL-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001716715048 1420871045 /nfs/dbraw/zinc/87/10/45/1420871045.db2.gz JSKQMNWLTCFCLN-ROUUACIJSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001716795120 1420927962 /nfs/dbraw/zinc/92/79/62/1420927962.db2.gz GJRMRTHBANJUDO-QGZVFWFLSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716896368 1421023895 /nfs/dbraw/zinc/02/38/95/1421023895.db2.gz UCFSMLRLXXNPOM-FQEVSTJZSA-N 2 1 347.547 3.047 10 30 EGEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716901409 1421033259 /nfs/dbraw/zinc/03/32/59/1421033259.db2.gz HQJBBQSANKUVFO-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901409 1421033261 /nfs/dbraw/zinc/03/32/61/1421033261.db2.gz HQJBBQSANKUVFO-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901409 1421033262 /nfs/dbraw/zinc/03/32/62/1421033262.db2.gz HQJBBQSANKUVFO-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001717121958 1421125272 /nfs/dbraw/zinc/12/52/72/1421125272.db2.gz TUEAUFHLBHSABX-IYARVYRRSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288778 1429465720 /nfs/dbraw/zinc/46/57/20/1429465720.db2.gz YRUNLSLGLWHVKP-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001717527880 1421463594 /nfs/dbraw/zinc/46/35/94/1421463594.db2.gz FFFPXQDQZDARTF-UHFFFAOYSA-N 2 1 343.515 3.103 10 30 EGEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001717527880 1421463598 /nfs/dbraw/zinc/46/35/98/1421463598.db2.gz FFFPXQDQZDARTF-UHFFFAOYSA-N 2 1 343.515 3.103 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717581863 1421508264 /nfs/dbraw/zinc/50/82/64/1421508264.db2.gz ATKOAZLIXNKABV-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630069 1421538894 /nfs/dbraw/zinc/53/88/94/1421538894.db2.gz CLHLRNVHXZAAEQ-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630069 1421538895 /nfs/dbraw/zinc/53/88/95/1421538895.db2.gz CLHLRNVHXZAAEQ-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001717841479 1421656655 /nfs/dbraw/zinc/65/66/55/1421656655.db2.gz RXDLBKCKOVTXDL-QUCCMNQESA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001717841479 1421656656 /nfs/dbraw/zinc/65/66/56/1421656656.db2.gz RXDLBKCKOVTXDL-QUCCMNQESA-N 2 1 346.519 3.275 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001733385642 1429572436 /nfs/dbraw/zinc/57/24/36/1429572436.db2.gz SNKSTJCNCHDASN-UXHICEINSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001724225231 1424743249 /nfs/dbraw/zinc/74/32/49/1424743249.db2.gz OSPLHDWHMVTJQK-HXUWFJFHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001724294358 1424778918 /nfs/dbraw/zinc/77/89/18/1424778918.db2.gz MBYQUHUFNJXZOW-LJQANCHMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001724629789 1424985489 /nfs/dbraw/zinc/98/54/89/1424985489.db2.gz WQECBRJLQZTDGB-KDURUIRLSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001724629789 1424985492 /nfs/dbraw/zinc/98/54/92/1424985492.db2.gz WQECBRJLQZTDGB-KDURUIRLSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001724839928 1425188947 /nfs/dbraw/zinc/18/89/47/1425188947.db2.gz VHJXVGXUOQJOPR-QGZVFWFLSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001724839928 1425188948 /nfs/dbraw/zinc/18/89/48/1425188948.db2.gz VHJXVGXUOQJOPR-QGZVFWFLSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001724839928 1425188952 /nfs/dbraw/zinc/18/89/52/1425188952.db2.gz VHJXVGXUOQJOPR-QGZVFWFLSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001724968259 1425365646 /nfs/dbraw/zinc/36/56/46/1425365646.db2.gz ZYDIOCPANJETDG-SFHVURJKSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725461409 1426127616 /nfs/dbraw/zinc/12/76/16/1426127616.db2.gz MCOGAKRAFXPSIB-GOSISDBHSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731535747 1427531224 /nfs/dbraw/zinc/53/12/24/1427531224.db2.gz JGCJJQZQIDBHLC-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731536971 1427536042 /nfs/dbraw/zinc/53/60/42/1427536042.db2.gz PLYSLWZMUVJILC-WOJBJXKFSA-N 2 1 349.563 3.269 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001731574544 1427617959 /nfs/dbraw/zinc/61/79/59/1427617959.db2.gz YVEPAVDFPKUWRX-QLOJAFMTSA-N 2 1 347.547 3.377 10 30 EGEEMP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731993354 1428201979 /nfs/dbraw/zinc/20/19/79/1428201979.db2.gz BMBCCTISAPFXRB-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001733814580 1430095308 /nfs/dbraw/zinc/09/53/08/1430095308.db2.gz RKNNCKZUZOKEIH-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733932606 1437745939 /nfs/dbraw/zinc/74/59/39/1437745939.db2.gz PIOVYMWDAYSRQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733932606 1437745941 /nfs/dbraw/zinc/74/59/41/1437745941.db2.gz PIOVYMWDAYSRQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001733932606 1437745942 /nfs/dbraw/zinc/74/59/42/1437745942.db2.gz PIOVYMWDAYSRQU-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001734090295 1437874684 /nfs/dbraw/zinc/87/46/84/1437874684.db2.gz FEKCXXCGYZIFMS-SFHVURJKSA-N 2 1 335.536 3.093 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734105170 1437891477 /nfs/dbraw/zinc/89/14/77/1437891477.db2.gz BVCJVUWEQZBAOG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734105170 1437891480 /nfs/dbraw/zinc/89/14/80/1437891480.db2.gz BVCJVUWEQZBAOG-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146203 1437914636 /nfs/dbraw/zinc/91/46/36/1437914636.db2.gz OZXOYWFKBZFOKI-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146203 1437914639 /nfs/dbraw/zinc/91/46/39/1437914639.db2.gz OZXOYWFKBZFOKI-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001734146203 1437914642 /nfs/dbraw/zinc/91/46/42/1437914642.db2.gz OZXOYWFKBZFOKI-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP Cc1cc(NC[C@H](C)N2CCc3sccc3C2)c(C#N)c(C)n1 ZINC000301811777 267348667 /nfs/dbraw/zinc/34/86/67/267348667.db2.gz ZSCICFVUPDAYJD-ZDUSSCGKSA-N 2 1 326.469 3.490 10 30 EGEEMP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144866 455237656 /nfs/dbraw/zinc/23/76/56/455237656.db2.gz GIAYVSJEHBXDFV-INIZCTEOSA-N 2 1 338.455 3.032 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000152961003 454746486 /nfs/dbraw/zinc/74/64/86/454746486.db2.gz YICCABPOBBZBNW-UHFFFAOYSA-N 2 1 334.533 3.050 10 30 EGEEMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000338956040 456875503 /nfs/dbraw/zinc/87/55/03/456875503.db2.gz HGEGUZQMSDWBEP-UHFFFAOYSA-N 2 1 327.472 3.476 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872176941 1296798401 /nfs/dbraw/zinc/79/84/01/1296798401.db2.gz WNEOLNQIKHMPIR-OAHLLOKOSA-N 2 1 332.835 3.475 10 30 EGEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000876719777 1298940381 /nfs/dbraw/zinc/94/03/81/1298940381.db2.gz VEFWXJMDKNBHOF-YJBOKZPZSA-N 2 1 349.906 3.147 10 30 EGEEMP CN(CCC#N)c1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895670408 1309458202 /nfs/dbraw/zinc/45/82/02/1309458202.db2.gz GYUFFIGYCREOJO-UHFFFAOYSA-N 2 1 326.488 3.097 10 30 EGEEMP C[C@H](C#N)Oc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222385 1328714370 /nfs/dbraw/zinc/71/43/70/1328714370.db2.gz UFCSYYNSBYEINU-VQIMIIECSA-N 2 1 327.472 3.474 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858420708 1328757562 /nfs/dbraw/zinc/75/75/62/1328757562.db2.gz IFPFYHNLIXQPAP-GFCCVEGCSA-N 2 1 347.812 3.230 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858420708 1328757567 /nfs/dbraw/zinc/75/75/67/1328757567.db2.gz IFPFYHNLIXQPAP-GFCCVEGCSA-N 2 1 347.812 3.230 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000865454483 1329699382 /nfs/dbraw/zinc/69/93/82/1329699382.db2.gz ZYBSSYZJWJTLFB-QGZVFWFLSA-N 2 1 337.508 3.016 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940786339 1331193571 /nfs/dbraw/zinc/19/35/71/1331193571.db2.gz VDCUQNJARBPENY-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786339 1331193574 /nfs/dbraw/zinc/19/35/74/1331193574.db2.gz VDCUQNJARBPENY-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940786339 1331193577 /nfs/dbraw/zinc/19/35/77/1331193577.db2.gz VDCUQNJARBPENY-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001323645151 1387416398 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BRBIZXJELBJDHA-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001139869705 1377967717 /nfs/dbraw/zinc/96/77/17/1377967717.db2.gz QKUPGRFVASZSIP-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001139869705 1377967718 /nfs/dbraw/zinc/96/77/18/1377967718.db2.gz QKUPGRFVASZSIP-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001139869705 1377967719 /nfs/dbraw/zinc/96/77/19/1377967719.db2.gz QKUPGRFVASZSIP-FQEVSTJZSA-N 2 1 343.515 3.007 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001283307860 1378795952 /nfs/dbraw/zinc/79/59/52/1378795952.db2.gz URFCHQMYADRFDP-UHFFFAOYSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001284920654 1380311992 /nfs/dbraw/zinc/31/19/92/1380311992.db2.gz IWZXPBOBTHNUCJ-HXUWFJFHSA-N 2 1 345.531 3.108 10 30 EGEEMP 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/nfs/dbraw/zinc/08/90/92/1413089092.db2.gz CCSNCXCNNASYGS-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844250 1413273022 /nfs/dbraw/zinc/27/30/22/1413273022.db2.gz KBFSXROILAJGGP-PXNSSMCTSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001700196327 1413637887 /nfs/dbraw/zinc/63/78/87/1413637887.db2.gz DEGNNARUFSXHEI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196327 1413637890 /nfs/dbraw/zinc/63/78/90/1413637890.db2.gz DEGNNARUFSXHEI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196327 1413637891 /nfs/dbraw/zinc/63/78/91/1413637891.db2.gz DEGNNARUFSXHEI-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001700199463 1413641641 /nfs/dbraw/zinc/64/16/41/1413641641.db2.gz WIVLMFXYIMUVLD-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199463 1413641644 /nfs/dbraw/zinc/64/16/44/1413641644.db2.gz WIVLMFXYIMUVLD-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199463 1413641645 /nfs/dbraw/zinc/64/16/45/1413641645.db2.gz WIVLMFXYIMUVLD-UXHICEINSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001700222497 1413670527 /nfs/dbraw/zinc/67/05/27/1413670527.db2.gz IVHABYKIXZUWPM-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293883 1413751334 /nfs/dbraw/zinc/75/13/34/1413751334.db2.gz KLJMPZDLTADMSW-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001700320546 1413784933 /nfs/dbraw/zinc/78/49/33/1413784933.db2.gz OXKUJZIJJWYTHM-FXAWDEMLSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001707237044 1417257330 /nfs/dbraw/zinc/25/73/30/1417257330.db2.gz HTRYUFDZAUDDQU-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713263392 1417871641 /nfs/dbraw/zinc/87/16/41/1417871641.db2.gz LWQYQUIZNADIFG-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001713951608 1418735288 /nfs/dbraw/zinc/73/52/88/1418735288.db2.gz GNOIKALJXODVLU-CADBVGFASA-N 2 1 335.536 3.211 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001713951610 1418735701 /nfs/dbraw/zinc/73/57/01/1418735701.db2.gz GNOIKALJXODVLU-NCXUSEDFSA-N 2 1 335.536 3.211 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146667 1418951372 /nfs/dbraw/zinc/95/13/72/1418951372.db2.gz ZPQZWSCWILZNIA-WOJBJXKFSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449593 1419182393 /nfs/dbraw/zinc/18/23/93/1419182393.db2.gz XCYNBIZBKWKMCP-QZTJIDSGSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449593 1419182395 /nfs/dbraw/zinc/18/23/95/1419182395.db2.gz XCYNBIZBKWKMCP-QZTJIDSGSA-N 2 1 346.519 3.284 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478288 1420693574 /nfs/dbraw/zinc/69/35/74/1420693574.db2.gz PZQFDCLGLMUSOU-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716478288 1420693576 /nfs/dbraw/zinc/69/35/76/1420693576.db2.gz PZQFDCLGLMUSOU-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716478288 1420693578 /nfs/dbraw/zinc/69/35/78/1420693578.db2.gz PZQFDCLGLMUSOU-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733269785 1429431615 /nfs/dbraw/zinc/43/16/15/1429431615.db2.gz RPKKGIYMWOFBND-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269785 1429431619 /nfs/dbraw/zinc/43/16/19/1429431619.db2.gz RPKKGIYMWOFBND-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733269785 1429431622 /nfs/dbraw/zinc/43/16/22/1429431622.db2.gz RPKKGIYMWOFBND-MOPGFXCFSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716874484 1421001074 /nfs/dbraw/zinc/00/10/74/1421001074.db2.gz DPTFZNSGUAZHLT-PXNSSMCTSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717357226 1421292495 /nfs/dbraw/zinc/29/24/95/1421292495.db2.gz CHDHRXQFPZMLNF-FQEVSTJZSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733392829 1429583330 /nfs/dbraw/zinc/58/33/30/1429583330.db2.gz HYAUWPAWUROVAN-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652269 1425013634 /nfs/dbraw/zinc/01/36/34/1425013634.db2.gz RKJQVZNMIPEHLT-RTBURBONSA-N 2 1 335.536 3.118 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724730435 1425082259 /nfs/dbraw/zinc/08/22/59/1425082259.db2.gz VLDSCZVEPZAUSK-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869770 1425253000 /nfs/dbraw/zinc/25/30/00/1425253000.db2.gz WBJPYEYJPCSLTK-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725046359 1425476758 /nfs/dbraw/zinc/47/67/58/1425476758.db2.gz ZQFQADRXEKMXNG-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725046359 1425476761 /nfs/dbraw/zinc/47/67/61/1425476761.db2.gz ZQFQADRXEKMXNG-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725046359 1425476764 /nfs/dbraw/zinc/47/67/64/1425476764.db2.gz ZQFQADRXEKMXNG-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001725210057 1425769699 /nfs/dbraw/zinc/76/96/99/1425769699.db2.gz DHCHSLLFQDUJDM-UXHICEINSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731526082 1427514265 /nfs/dbraw/zinc/51/42/65/1427514265.db2.gz LUILXJPQVPYRNN-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553897 1427577172 /nfs/dbraw/zinc/57/71/72/1427577172.db2.gz ZPLAZKQDBOUTKF-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733907580 1437726086 /nfs/dbraw/zinc/72/60/86/1437726086.db2.gz ROZZMOMGXOIFPA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907580 1437726088 /nfs/dbraw/zinc/72/60/88/1437726088.db2.gz ROZZMOMGXOIFPA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733907580 1437726089 /nfs/dbraw/zinc/72/60/89/1437726089.db2.gz ROZZMOMGXOIFPA-HXUWFJFHSA-N 2 1 343.515 3.008 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001734155834 1437922140 /nfs/dbraw/zinc/92/21/40/1437922140.db2.gz QGMYDRHDNKYLCS-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001734442309 1438104478 /nfs/dbraw/zinc/10/44/78/1438104478.db2.gz PZCSEJCHLJEHJT-CTNGQTDRSA-N 2 1 349.563 3.412 10 30 EGEEMP C[N@@H+](CCCCC#N)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862956 454660938 /nfs/dbraw/zinc/66/09/38/454660938.db2.gz PJKRLSVLGWOORA-FQEVSTJZSA-N 2 1 329.488 3.058 10 30 EGEEMP CC[N@H+](Cc1nc(C#N)cs1)CC1CCN(c2ccccn2)CC1 ZINC000356125232 457467050 /nfs/dbraw/zinc/46/70/50/457467050.db2.gz QVXFQOVLTIXCCU-UHFFFAOYSA-N 2 1 341.484 3.148 10 30 EGEEMP CCN(Cc1nc(C#N)cs1)CC1CCN(c2ccccn2)CC1 ZINC000356125232 457467059 /nfs/dbraw/zinc/46/70/59/457467059.db2.gz QVXFQOVLTIXCCU-UHFFFAOYSA-N 2 1 341.484 3.148 10 30 EGEEMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000517722678 458832412 /nfs/dbraw/zinc/83/24/12/458832412.db2.gz JVEDEDNOPXKOJF-UHFFFAOYSA-N 2 1 339.487 3.340 10 30 EGEEMP CC[N@H+](CCC1CC[NH+](Cc2ccncc2C#N)CC1)CC1CC1 ZINC000592093044 459523243 /nfs/dbraw/zinc/52/32/43/459523243.db2.gz RXXVKOPJXJLPQS-UHFFFAOYSA-N 2 1 326.488 3.287 10 30 EGEEMP CC[N@@H+](CCC1CC[NH+](Cc2ccncc2C#N)CC1)CC1CC1 ZINC000592093044 459523252 /nfs/dbraw/zinc/52/32/52/459523252.db2.gz RXXVKOPJXJLPQS-UHFFFAOYSA-N 2 1 326.488 3.287 10 30 EGEEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993952 460274922 /nfs/dbraw/zinc/27/49/22/460274922.db2.gz IQUHNSIFOVHKJT-QGZVFWFLSA-N 2 1 326.488 3.430 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000651721474 462315038 /nfs/dbraw/zinc/31/50/38/462315038.db2.gz FOINKOTVEWPSDD-BVOGOJNSSA-N 2 1 328.500 3.204 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000651721474 462315043 /nfs/dbraw/zinc/31/50/43/462315043.db2.gz FOINKOTVEWPSDD-BVOGOJNSSA-N 2 1 328.500 3.204 10 30 EGEEMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883177797 1302287201 /nfs/dbraw/zinc/28/72/01/1302287201.db2.gz IWXOZVXNNYNMAW-CTNGQTDRSA-N 2 1 344.499 3.025 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001323817107 1387467469 /nfs/dbraw/zinc/46/74/69/1387467469.db2.gz WTFMQEAHSAAOEI-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817107 1387467470 /nfs/dbraw/zinc/46/74/70/1387467470.db2.gz WTFMQEAHSAAOEI-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323817107 1387467471 /nfs/dbraw/zinc/46/74/71/1387467471.db2.gz WTFMQEAHSAAOEI-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001326287057 1388142491 /nfs/dbraw/zinc/14/24/91/1388142491.db2.gz LGFAHSXWJQIVNY-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266240826 1377243428 /nfs/dbraw/zinc/24/34/28/1377243428.db2.gz DKGDTNZSHWYEOK-LJQANCHMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266502115 1377323583 /nfs/dbraw/zinc/32/35/83/1377323583.db2.gz WNWUAGWPPMCZGE-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001266502115 1377323586 /nfs/dbraw/zinc/32/35/86/1377323586.db2.gz WNWUAGWPPMCZGE-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001266502115 1377323589 /nfs/dbraw/zinc/32/35/89/1377323589.db2.gz WNWUAGWPPMCZGE-HSALFYBXSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001279591947 1378315897 /nfs/dbraw/zinc/31/58/97/1378315897.db2.gz RHXJQJSOVBSUKT-UHFFFAOYSA-N 2 1 345.531 3.110 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127823 1379503449 /nfs/dbraw/zinc/50/34/49/1379503449.db2.gz FQYAKYRMAFXENB-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001284127823 1379503456 /nfs/dbraw/zinc/50/34/56/1379503456.db2.gz FQYAKYRMAFXENB-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001284127823 1379503457 /nfs/dbraw/zinc/50/34/57/1379503457.db2.gz FQYAKYRMAFXENB-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321974 1379712040 /nfs/dbraw/zinc/71/20/40/1379712040.db2.gz DXABLDVNVSNPIZ-SJORKVTESA-N 2 1 337.552 3.146 10 30 EGEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001284694972 1380108703 /nfs/dbraw/zinc/10/87/03/1380108703.db2.gz PNGCNBJOTDQRAG-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328265669 1388703505 /nfs/dbraw/zinc/70/35/05/1388703505.db2.gz CLAHHDNMIZMOEO-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001328265669 1388703507 /nfs/dbraw/zinc/70/35/07/1388703507.db2.gz CLAHHDNMIZMOEO-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001328265669 1388703510 /nfs/dbraw/zinc/70/35/10/1388703510.db2.gz CLAHHDNMIZMOEO-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316614430 1384482865 /nfs/dbraw/zinc/48/28/65/1384482865.db2.gz FOMGEQJRNOBQFH-QRVBRYPASA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001316812282 1384611286 /nfs/dbraw/zinc/61/12/86/1384611286.db2.gz ZLGWZFWJQHHBLG-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812282 1384611288 /nfs/dbraw/zinc/61/12/88/1384611288.db2.gz ZLGWZFWJQHHBLG-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001316812282 1384611294 /nfs/dbraw/zinc/61/12/94/1384611294.db2.gz ZLGWZFWJQHHBLG-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316948320 1384720256 /nfs/dbraw/zinc/72/02/56/1384720256.db2.gz UERPXGQOPKNPLL-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317159590 1384923691 /nfs/dbraw/zinc/92/36/91/1384923691.db2.gz IXTYIWKKGJRHSG-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318284547 1385641514 /nfs/dbraw/zinc/64/15/14/1385641514.db2.gz RFOMSBSLRSAKOF-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991123 1385914770 /nfs/dbraw/zinc/91/47/70/1385914770.db2.gz PRWGXRFXZICPOM-MBOZVWFJSA-N 2 1 343.515 3.087 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638416 1386013085 /nfs/dbraw/zinc/01/30/85/1386013085.db2.gz YUKFIQJRBSXDOJ-NQIIRXRSSA-N 2 1 327.516 3.268 10 30 EGEEMP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638417 1386013152 /nfs/dbraw/zinc/01/31/52/1386013152.db2.gz YUKFIQJRBSXDOJ-RXVVDRJESA-N 2 1 327.516 3.268 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001178826444 1386319593 /nfs/dbraw/zinc/31/95/93/1386319593.db2.gz CFTJGSNBZJSYNR-UHFFFAOYSA-N 2 1 343.452 3.368 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001178826444 1386319594 /nfs/dbraw/zinc/31/95/94/1386319594.db2.gz CFTJGSNBZJSYNR-UHFFFAOYSA-N 2 1 343.452 3.368 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001329243167 1389033784 /nfs/dbraw/zinc/03/37/84/1389033784.db2.gz ICGDUXYEXUECFW-YXWAVELNSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCc1cc(OC)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001337806592 1389448965 /nfs/dbraw/zinc/44/89/65/1389448965.db2.gz UMFUNYZVFOQZES-YQVWRLOYSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001331053492 1389611808 /nfs/dbraw/zinc/61/18/08/1389611808.db2.gz LFAXMGSPIFFRKA-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053492 1389611810 /nfs/dbraw/zinc/61/18/10/1389611810.db2.gz LFAXMGSPIFFRKA-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053492 1389611811 /nfs/dbraw/zinc/61/18/11/1389611811.db2.gz LFAXMGSPIFFRKA-LJQANCHMSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001332948560 1390221922 /nfs/dbraw/zinc/22/19/22/1390221922.db2.gz RURSOCFYONIWAU-DLBZAZTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001479695839 1392326918 /nfs/dbraw/zinc/32/69/18/1392326918.db2.gz OZYMCPFEMJUTRZ-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734154 1392898500 /nfs/dbraw/zinc/89/85/00/1392898500.db2.gz ZSLQCZTZSOEVPY-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480734154 1392898506 /nfs/dbraw/zinc/89/85/06/1392898506.db2.gz ZSLQCZTZSOEVPY-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001480734154 1392898509 /nfs/dbraw/zinc/89/85/09/1392898509.db2.gz ZSLQCZTZSOEVPY-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742950 1392909511 /nfs/dbraw/zinc/90/95/11/1392909511.db2.gz SULOMRLDHOZSHY-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480742950 1392909512 /nfs/dbraw/zinc/90/95/12/1392909512.db2.gz SULOMRLDHOZSHY-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001481338160 1393166835 /nfs/dbraw/zinc/16/68/35/1393166835.db2.gz SYQOPFYNNOTVIR-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001698935173 1406674606 /nfs/dbraw/zinc/67/46/06/1406674606.db2.gz NRHYOSCDPQNADM-PKOBYXMFSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001491237539 1394490071 /nfs/dbraw/zinc/49/00/71/1394490071.db2.gz NMLOAOBRXHNVTG-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001491237539 1394490073 /nfs/dbraw/zinc/49/00/73/1394490073.db2.gz NMLOAOBRXHNVTG-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001491237539 1394490076 /nfs/dbraw/zinc/49/00/76/1394490076.db2.gz NMLOAOBRXHNVTG-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001491237539 1394490077 /nfs/dbraw/zinc/49/00/77/1394490077.db2.gz NMLOAOBRXHNVTG-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001482016589 1394674101 /nfs/dbraw/zinc/67/41/01/1394674101.db2.gz DLJLMEKRJJTQNH-KZNAEPCWSA-N 2 1 346.519 3.380 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174409 1395319736 /nfs/dbraw/zinc/31/97/36/1395319736.db2.gz LGGLYYXXOMHMFS-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001484174409 1395319740 /nfs/dbraw/zinc/31/97/40/1395319740.db2.gz LGGLYYXXOMHMFS-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001484820497 1395554637 /nfs/dbraw/zinc/55/46/37/1395554637.db2.gz VGQOQRPBGVLDMW-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001485765844 1396142240 /nfs/dbraw/zinc/14/22/40/1396142240.db2.gz YCNUQQQXDQONPS-UHFFFAOYSA-N 2 1 343.515 3.251 10 30 EGEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001491958281 1396300654 /nfs/dbraw/zinc/30/06/54/1396300654.db2.gz CAVXKYFLQFWVDT-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958281 1396300655 /nfs/dbraw/zinc/30/06/55/1396300655.db2.gz CAVXKYFLQFWVDT-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001491958281 1396300656 /nfs/dbraw/zinc/30/06/56/1396300656.db2.gz CAVXKYFLQFWVDT-PMACEKPBSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496427367 1396704465 /nfs/dbraw/zinc/70/44/65/1396704465.db2.gz KHYLXGSLWQUORC-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001496427367 1396704467 /nfs/dbraw/zinc/70/44/67/1396704467.db2.gz KHYLXGSLWQUORC-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691230276 1405169498 /nfs/dbraw/zinc/16/94/98/1405169498.db2.gz YLWACOMTRZYRRX-NSHGMRRFSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001691692901 1405427612 /nfs/dbraw/zinc/42/76/12/1405427612.db2.gz VNVOLRZEIJLZRF-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC001691818556 1405533740 /nfs/dbraw/zinc/53/37/40/1405533740.db2.gz FMMDFBFRCKHDQP-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC(C)(C)C1 ZINC001691818556 1405533744 /nfs/dbraw/zinc/53/37/44/1405533744.db2.gz FMMDFBFRCKHDQP-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC(C)(C)C1 ZINC001691818556 1405533747 /nfs/dbraw/zinc/53/37/47/1405533747.db2.gz FMMDFBFRCKHDQP-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692318756 1405937558 /nfs/dbraw/zinc/93/75/58/1405937558.db2.gz IAOUYDLWVFOFIH-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001732289993 1428516178 /nfs/dbraw/zinc/51/61/78/1428516178.db2.gz ZGQCFZSQQTUBMM-DYESRHJHSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001699964419 1413405013 /nfs/dbraw/zinc/40/50/13/1413405013.db2.gz ALYHDMOYOABXHV-MSOLQXFVSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001732547185 1428723871 /nfs/dbraw/zinc/72/38/71/1428723871.db2.gz XJJWCBVAJOOGOO-MJGOQNOKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001700252371 1413699635 /nfs/dbraw/zinc/69/96/35/1413699635.db2.gz ICJNJTDHTKUXRN-HXUWFJFHSA-N 2 1 343.515 3.315 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700524869 1414184345 /nfs/dbraw/zinc/18/43/45/1414184345.db2.gz MNHSSLYHCYVHSR-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001700868584 1414521614 /nfs/dbraw/zinc/52/16/14/1414521614.db2.gz RLWGEKLUXRSLMD-IRFCIJBXSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001700868584 1414521617 /nfs/dbraw/zinc/52/16/17/1414521617.db2.gz RLWGEKLUXRSLMD-IRFCIJBXSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001700995170 1414642809 /nfs/dbraw/zinc/64/28/09/1414642809.db2.gz GECFCCMVIBSVSI-ROUUACIJSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713252310 1417845916 /nfs/dbraw/zinc/84/59/16/1417845916.db2.gz WCIIBPZQKWUVFA-WOJBJXKFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269435 1417879542 /nfs/dbraw/zinc/87/95/42/1417879542.db2.gz DFIGHALISVBODX-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001713689323 1418442890 /nfs/dbraw/zinc/44/28/90/1418442890.db2.gz BSALXOUOGRFNAW-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001713689323 1418442893 /nfs/dbraw/zinc/44/28/93/1418442893.db2.gz BSALXOUOGRFNAW-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001713689323 1418442897 /nfs/dbraw/zinc/44/28/97/1418442897.db2.gz BSALXOUOGRFNAW-OALUTQOASA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713957475 1418739543 /nfs/dbraw/zinc/73/95/43/1418739543.db2.gz ANNRNHDNZMNRKZ-CGBFIWBNSA-N 2 1 347.547 3.375 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001714365607 1419125752 /nfs/dbraw/zinc/12/57/52/1419125752.db2.gz JAGOFRPUORLVAK-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001714365607 1419125755 /nfs/dbraw/zinc/12/57/55/1419125755.db2.gz JAGOFRPUORLVAK-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001714365607 1419125756 /nfs/dbraw/zinc/12/57/56/1419125756.db2.gz JAGOFRPUORLVAK-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001733204312 1429310326 /nfs/dbraw/zinc/31/03/26/1429310326.db2.gz WVOCRIQAJVNAPL-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714627207 1419397892 /nfs/dbraw/zinc/39/78/92/1419397892.db2.gz YYLCUMIOVVJNNY-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001715160375 1419901994 /nfs/dbraw/zinc/90/19/94/1419901994.db2.gz JBBKXLCKIBIVDT-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001715195031 1419926921 /nfs/dbraw/zinc/92/69/21/1419926921.db2.gz HPFVZKXUPLFTKZ-VQTJNVASSA-N 2 1 343.515 3.089 10 30 EGEEMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCCCCC)CC2 ZINC001715218978 1419952798 /nfs/dbraw/zinc/95/27/98/1419952798.db2.gz ZTRGQZNKTQVNHD-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCCCCC)CC2 ZINC001715218978 1419952799 /nfs/dbraw/zinc/95/27/99/1419952799.db2.gz 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C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716731586 1420890354 /nfs/dbraw/zinc/89/03/54/1420890354.db2.gz KKPDRSLSKAJGJI-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001716888315 1421011936 /nfs/dbraw/zinc/01/19/36/1421011936.db2.gz UGOFPMOPAOUBHV-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716901412 1421033147 /nfs/dbraw/zinc/03/31/47/1421033147.db2.gz HQJBBQSANKUVFO-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901412 1421033149 /nfs/dbraw/zinc/03/31/49/1421033149.db2.gz HQJBBQSANKUVFO-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001716901412 1421033151 /nfs/dbraw/zinc/03/31/51/1421033151.db2.gz HQJBBQSANKUVFO-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001717198230 1421165047 /nfs/dbraw/zinc/16/50/47/1421165047.db2.gz NSXGTEMKUVAXPO-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198230 1421165050 /nfs/dbraw/zinc/16/50/50/1421165050.db2.gz NSXGTEMKUVAXPO-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001717198230 1421165052 /nfs/dbraw/zinc/16/50/52/1421165052.db2.gz NSXGTEMKUVAXPO-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717201649 1421169760 /nfs/dbraw/zinc/16/97/60/1421169760.db2.gz ZYYVVJASKZNDLW-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201649 1421169761 /nfs/dbraw/zinc/16/97/61/1421169761.db2.gz ZYYVVJASKZNDLW-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201649 1421169763 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SPKCWUNEUFDFPQ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717309769 1421252514 /nfs/dbraw/zinc/25/25/14/1421252514.db2.gz SPKCWUNEUFDFPQ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717309769 1421252517 /nfs/dbraw/zinc/25/25/17/1421252517.db2.gz SPKCWUNEUFDFPQ-SFHVURJKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001733343232 1429525605 /nfs/dbraw/zinc/52/56/05/1429525605.db2.gz CFOWZYDWVYQJNP-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001733377960 1429561630 /nfs/dbraw/zinc/56/16/30/1429561630.db2.gz ABCFPHQXGBEOCI-UXHICEINSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419366 1429625590 /nfs/dbraw/zinc/62/55/90/1429625590.db2.gz VQOIPQHITGOCPG-DYESRHJHSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001733449501 1429660629 /nfs/dbraw/zinc/66/06/29/1429660629.db2.gz RYVKRXNIFCJPAM-KRWDZBQOSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001724707263 1425064114 /nfs/dbraw/zinc/06/41/14/1425064114.db2.gz JMMMRLLVBWHOCO-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001724760915 1425132010 /nfs/dbraw/zinc/13/20/10/1425132010.db2.gz URMQKOKWKCECPO-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848140 1425204275 /nfs/dbraw/zinc/20/42/75/1425204275.db2.gz ZLVHDCJLIIARCF-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001724957302 1425344605 /nfs/dbraw/zinc/34/46/05/1425344605.db2.gz QVZYGGZGLOXOGH-GOSISDBHSA-N 2 1 337.552 3.269 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979093 1425380540 /nfs/dbraw/zinc/38/05/40/1425380540.db2.gz KRGDAYNKYVOOAK-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001725057794 1425496405 /nfs/dbraw/zinc/49/64/05/1425496405.db2.gz KKZHGFJXIUHQMJ-MOPGFXCFSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057794 1425496407 /nfs/dbraw/zinc/49/64/07/1425496407.db2.gz KKZHGFJXIUHQMJ-MOPGFXCFSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057794 1425496412 /nfs/dbraw/zinc/49/64/12/1425496412.db2.gz KKZHGFJXIUHQMJ-MOPGFXCFSA-N 2 1 349.563 3.101 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001725346133 1425997103 /nfs/dbraw/zinc/99/71/03/1425997103.db2.gz RDQQFCDWCMBHPU-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001725346133 1425997111 /nfs/dbraw/zinc/99/71/11/1425997111.db2.gz RDQQFCDWCMBHPU-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001725346133 1425997116 /nfs/dbraw/zinc/99/71/16/1425997116.db2.gz RDQQFCDWCMBHPU-LJQANCHMSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC001725671468 1426354940 /nfs/dbraw/zinc/35/49/40/1426354940.db2.gz SVUILPPWRKYGPU-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001725796007 1426481917 /nfs/dbraw/zinc/48/19/17/1426481917.db2.gz GLWNQDNWSSLOBX-QGZVFWFLSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001731520436 1427508072 /nfs/dbraw/zinc/50/80/72/1427508072.db2.gz GKSIQDLUEDPURM-UFYCRDLUSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553839 1427577430 /nfs/dbraw/zinc/57/74/30/1427577430.db2.gz YYKPMHNIBAOZCL-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001731659912 1427712829 /nfs/dbraw/zinc/71/28/29/1427712829.db2.gz MPYPOLUORBMJQS-MOPGFXCFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733813791 1430094667 /nfs/dbraw/zinc/09/46/67/1430094667.db2.gz QSQACCTXQQZAPT-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001733950291 1437762219 /nfs/dbraw/zinc/76/22/19/1437762219.db2.gz OGGQYTYLBDWLGP-UHFFFAOYSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734105383 1437891195 /nfs/dbraw/zinc/89/11/95/1437891195.db2.gz DXBAZTKCBWXXPX-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001734105383 1437891196 /nfs/dbraw/zinc/89/11/96/1437891196.db2.gz DXBAZTKCBWXXPX-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001734105383 1437891198 /nfs/dbraw/zinc/89/11/98/1437891198.db2.gz DXBAZTKCBWXXPX-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC001734493477 1438131348 /nfs/dbraw/zinc/13/13/48/1438131348.db2.gz BCMMHJLJBRUDQY-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943811 1440117456 /nfs/dbraw/zinc/11/74/56/1440117456.db2.gz HEXRZOKPCNWCNM-MJGOQNOKSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946220 1440118874 /nfs/dbraw/zinc/11/88/74/1440118874.db2.gz YKIIYQNRGXVSKL-RBUKOAKNSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183151994 455239677 /nfs/dbraw/zinc/23/96/77/455239677.db2.gz PJTUPGNCCDRLIM-MRXNPFEDSA-N 2 1 340.471 3.256 10 30 EGEEMP Cn1cc[nH+]c1CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177137754 454827351 /nfs/dbraw/zinc/82/73/51/454827351.db2.gz KNRCSAWLYHLNBX-UHFFFAOYSA-N 2 1 327.859 3.380 10 30 EGEEMP C[C@@H]1C[C@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000557537171 459082598 /nfs/dbraw/zinc/08/25/98/459082598.db2.gz IJORXDNVTKRBMA-WBVHZDCISA-N 2 1 340.496 3.405 10 30 EGEEMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213872 460444790 /nfs/dbraw/zinc/44/47/90/460444790.db2.gz ZZBRCMYBOLPILJ-UHFFFAOYSA-N 2 1 343.434 3.200 10 30 EGEEMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213872 460444798 /nfs/dbraw/zinc/44/47/98/460444798.db2.gz ZZBRCMYBOLPILJ-UHFFFAOYSA-N 2 1 343.434 3.200 10 30 EGEEMP N#CCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000123552899 1293447601 /nfs/dbraw/zinc/44/76/01/1293447601.db2.gz HLFBQYXTBREQTA-UHFFFAOYSA-N 2 1 349.478 3.386 10 30 EGEEMP C#CC[C@@H]1CC[NH+](CC(C[N@@H+]2CC[C@@H](CC#C)C2)c2ccccc2)C1 ZINC000886365270 1303449337 /nfs/dbraw/zinc/44/93/37/1303449337.db2.gz DXOAOCJIHVGUGE-NHCUHLMSSA-N 2 1 334.507 3.461 10 30 EGEEMP C[C@@H](C#N)Oc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222383 1328714473 /nfs/dbraw/zinc/71/44/73/1328714473.db2.gz UFCSYYNSBYEINU-QFBILLFUSA-N 2 1 327.472 3.474 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921759987 1322394124 /nfs/dbraw/zinc/39/41/24/1322394124.db2.gz NOGIJPYSRIOSTI-HDICACEKSA-N 2 1 329.488 3.154 10 30 EGEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865547344 1329712102 /nfs/dbraw/zinc/71/21/02/1329712102.db2.gz BYLFHSYHJYNJCC-FQEVSTJZSA-N 2 1 348.494 3.236 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323815533 1387466721 /nfs/dbraw/zinc/46/67/21/1387466721.db2.gz FDVVBKITTRWXRI-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001324864854 1387796737 /nfs/dbraw/zinc/79/67/37/1387796737.db2.gz VUDXINACGNQDHW-QGZVFWFLSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001326496242 1388219651 /nfs/dbraw/zinc/21/96/51/1388219651.db2.gz WZDZWCLTOIOTOJ-QZTJIDSGSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127927 1388392372 /nfs/dbraw/zinc/39/23/72/1388392372.db2.gz ZBDSHEKWUOEDEB-WOJBJXKFSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001327298296 1388489061 /nfs/dbraw/zinc/48/90/61/1388489061.db2.gz FZDNLEGKPJGFDO-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298296 1388489065 /nfs/dbraw/zinc/48/90/65/1388489065.db2.gz FZDNLEGKPJGFDO-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298296 1388489068 /nfs/dbraw/zinc/48/90/68/1388489068.db2.gz FZDNLEGKPJGFDO-PMACEKPBSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001327298299 1388489521 /nfs/dbraw/zinc/48/95/21/1388489521.db2.gz FZDNLEGKPJGFDO-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298299 1388489524 /nfs/dbraw/zinc/48/95/24/1388489524.db2.gz FZDNLEGKPJGFDO-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298299 1388489525 /nfs/dbraw/zinc/48/95/25/1388489525.db2.gz FZDNLEGKPJGFDO-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC=C)CC1 ZINC001327300056 1388491991 /nfs/dbraw/zinc/49/19/91/1388491991.db2.gz SNQHHHRBUCWZNZ-BGYRXZFFSA-N 2 1 345.531 3.058 10 30 EGEEMP C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC=C)CC1 ZINC001327300056 1388491994 /nfs/dbraw/zinc/49/19/94/1388491994.db2.gz SNQHHHRBUCWZNZ-BGYRXZFFSA-N 2 1 345.531 3.058 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001274434065 1378124530 /nfs/dbraw/zinc/12/45/30/1378124530.db2.gz ASIKDQRNKADDOZ-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001274643239 1378131312 /nfs/dbraw/zinc/13/13/12/1378131312.db2.gz IYANYNOZVWMLLI-IEBWSBKVSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001281683194 1378449490 /nfs/dbraw/zinc/44/94/90/1378449490.db2.gz NDFDGPBRMWUDPJ-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001281940512 1378460625 /nfs/dbraw/zinc/46/06/25/1378460625.db2.gz UAVKMZYGVLBPFV-QGZVFWFLSA-N 2 1 349.544 3.312 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001282972412 1378694029 /nfs/dbraw/zinc/69/40/29/1378694029.db2.gz IJSBALVVVBDVQL-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001282972412 1378694031 /nfs/dbraw/zinc/69/40/31/1378694031.db2.gz IJSBALVVVBDVQL-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001282972412 1378694037 /nfs/dbraw/zinc/69/40/37/1378694037.db2.gz IJSBALVVVBDVQL-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001283319134 1378804258 /nfs/dbraw/zinc/80/42/58/1378804258.db2.gz IUYZYOZPGANCGA-UHFFFAOYSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001283434005 1378925286 /nfs/dbraw/zinc/92/52/86/1378925286.db2.gz MUQHMRWHRHLFHL-UXHICEINSA-N 2 1 343.515 3.274 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127490 1379503400 /nfs/dbraw/zinc/50/34/00/1379503400.db2.gz BKPPJJCGPAIURR-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001284127490 1379503406 /nfs/dbraw/zinc/50/34/06/1379503406.db2.gz BKPPJJCGPAIURR-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001284127490 1379503411 /nfs/dbraw/zinc/50/34/11/1379503411.db2.gz BKPPJJCGPAIURR-FUHWJXTLSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001328294955 1388718574 /nfs/dbraw/zinc/71/85/74/1388718574.db2.gz PQNYYMAXFYOPIJ-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001328469009 1388756568 /nfs/dbraw/zinc/75/65/68/1388756568.db2.gz NVADWCFKVVCTPP-UXHICEINSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001328469009 1388756572 /nfs/dbraw/zinc/75/65/72/1388756572.db2.gz NVADWCFKVVCTPP-UXHICEINSA-N 2 1 343.515 3.008 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001316670535 1384514012 /nfs/dbraw/zinc/51/40/12/1384514012.db2.gz PGBZUUAGWDADTI-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001317876140 1385555121 /nfs/dbraw/zinc/55/51/21/1385555121.db2.gz CGZCFUTTYPFZKF-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001317876140 1385555124 /nfs/dbraw/zinc/55/51/24/1385555124.db2.gz CGZCFUTTYPFZKF-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+](C)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001317876140 1385555128 /nfs/dbraw/zinc/55/51/28/1385555128.db2.gz CGZCFUTTYPFZKF-UHFFFAOYSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001319774115 1386291172 /nfs/dbraw/zinc/29/11/72/1386291172.db2.gz GRIXUHIUVKCJBF-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001319915110 1386386913 /nfs/dbraw/zinc/38/69/13/1386386913.db2.gz HYNJFMGAVVZYJY-QUCCMNQESA-N 2 1 349.563 3.338 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331440311 1389750013 /nfs/dbraw/zinc/75/00/13/1389750013.db2.gz RUUOPFGIXAPTCV-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001333182379 1390263450 /nfs/dbraw/zinc/26/34/50/1390263450.db2.gz ZTLMLQLKPQOORU-ZHALLVOQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001479637564 1392300508 /nfs/dbraw/zinc/30/05/08/1392300508.db2.gz VBNDCSOYKBLMON-ZCNNSNEGSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001479637564 1392300515 /nfs/dbraw/zinc/30/05/15/1392300515.db2.gz VBNDCSOYKBLMON-ZCNNSNEGSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001479637564 1392300516 /nfs/dbraw/zinc/30/05/16/1392300516.db2.gz VBNDCSOYKBLMON-ZCNNSNEGSA-N 2 1 347.547 3.329 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480256748 1392640866 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YNTHHXQZCLXHHG-HKUYNNGSSA-N 2 1 335.536 3.234 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483944626 1395155571 /nfs/dbraw/zinc/15/55/71/1395155571.db2.gz YUHMJLGFJGVPMY-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588471 1396064435 /nfs/dbraw/zinc/06/44/35/1396064435.db2.gz YZWLPMKIKCTCSO-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001485588471 1396064442 /nfs/dbraw/zinc/06/44/42/1396064442.db2.gz YZWLPMKIKCTCSO-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491955591 1396300542 /nfs/dbraw/zinc/30/05/42/1396300542.db2.gz TZZLCMNKDLRWRU-HXUWFJFHSA-N 2 1 343.515 3.251 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492172042 1396312173 /nfs/dbraw/zinc/31/21/73/1396312173.db2.gz UNZSOEZRLIJVGD-FQEVSTJZSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001689055930 1396855635 /nfs/dbraw/zinc/85/56/35/1396855635.db2.gz NFZLBPIIJUEODQ-IEBWSBKVSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001689192361 1396967046 /nfs/dbraw/zinc/96/70/46/1396967046.db2.gz BRLWADGEFVGMMP-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001689192361 1396967050 /nfs/dbraw/zinc/96/70/50/1396967050.db2.gz BRLWADGEFVGMMP-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001689192361 1396967054 /nfs/dbraw/zinc/96/70/54/1396967054.db2.gz BRLWADGEFVGMMP-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001689192361 1396967057 /nfs/dbraw/zinc/96/70/57/1396967057.db2.gz BRLWADGEFVGMMP-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318856 1404477154 /nfs/dbraw/zinc/47/71/54/1404477154.db2.gz YXBXHZJNUXUHMS-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001690493006 1404607334 /nfs/dbraw/zinc/60/73/34/1404607334.db2.gz XTPCXWUNOQVGRC-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493006 1404607335 /nfs/dbraw/zinc/60/73/35/1404607335.db2.gz XTPCXWUNOQVGRC-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001690493006 1404607337 /nfs/dbraw/zinc/60/73/37/1404607337.db2.gz XTPCXWUNOQVGRC-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504440 1404617030 /nfs/dbraw/zinc/61/70/30/1404617030.db2.gz DINOUAPUPSWBJK-MOPGFXCFSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048177 1404961414 /nfs/dbraw/zinc/96/14/14/1404961414.db2.gz NBRGOIKMNDZGFI-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691048177 1404961419 /nfs/dbraw/zinc/96/14/19/1404961419.db2.gz NBRGOIKMNDZGFI-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001691048177 1404961442 /nfs/dbraw/zinc/96/14/42/1404961442.db2.gz NBRGOIKMNDZGFI-SFHVURJKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001692138564 1405793585 /nfs/dbraw/zinc/79/35/85/1405793585.db2.gz BMCRUGKWUOZUID-BHIYHBOVSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001692138564 1405793581 /nfs/dbraw/zinc/79/35/81/1405793581.db2.gz BMCRUGKWUOZUID-BHIYHBOVSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001692138564 1405793587 /nfs/dbraw/zinc/79/35/87/1405793587.db2.gz BMCRUGKWUOZUID-BHIYHBOVSA-N 2 1 349.563 3.146 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001692267624 1405898859 /nfs/dbraw/zinc/89/88/59/1405898859.db2.gz RGWHISNKNTZUQE-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001692267624 1405898864 /nfs/dbraw/zinc/89/88/64/1405898864.db2.gz RGWHISNKNTZUQE-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001692267624 1405898872 /nfs/dbraw/zinc/89/88/72/1405898872.db2.gz RGWHISNKNTZUQE-HSALFYBXSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001692325206 1405943974 /nfs/dbraw/zinc/94/39/74/1405943974.db2.gz CFKJPJICOLPFDP-SFHVURJKSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001732289994 1428516282 /nfs/dbraw/zinc/51/62/82/1428516282.db2.gz ZGQCFZSQQTUBMM-LAUBAEHRSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684903 1413082763 /nfs/dbraw/zinc/08/27/63/1413082763.db2.gz XCAGBRDNJZQFFG-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001699714180 1413127258 /nfs/dbraw/zinc/12/72/58/1413127258.db2.gz BOGIQKICVFBUSK-ROUUACIJSA-N 2 1 347.547 3.138 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001699867047 1413306166 /nfs/dbraw/zinc/30/61/66/1413306166.db2.gz QNQFVOODHQEGBY-IBGZPJMESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001699879750 1413345746 /nfs/dbraw/zinc/34/57/46/1413345746.db2.gz XISYWVYWHHKFMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699879750 1413345751 /nfs/dbraw/zinc/34/57/51/1413345751.db2.gz XISYWVYWHHKFMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699879750 1413345753 /nfs/dbraw/zinc/34/57/53/1413345753.db2.gz XISYWVYWHHKFMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732546479 1428722620 /nfs/dbraw/zinc/72/26/20/1428722620.db2.gz DWIVOEIXDZPFDW-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732546479 1428722623 /nfs/dbraw/zinc/72/26/23/1428722623.db2.gz DWIVOEIXDZPFDW-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732546479 1428722624 /nfs/dbraw/zinc/72/26/24/1428722624.db2.gz DWIVOEIXDZPFDW-QWFCFKBJSA-N 2 1 349.563 3.242 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001732547182 1428723894 /nfs/dbraw/zinc/72/38/94/1428723894.db2.gz XJJWCBVAJOOGOO-IEBWSBKVSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001700089844 1413501030 /nfs/dbraw/zinc/50/10/30/1413501030.db2.gz GRARCEWEWSGGQV-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700089844 1413501033 /nfs/dbraw/zinc/50/10/33/1413501033.db2.gz GRARCEWEWSGGQV-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001700089844 1413501035 /nfs/dbraw/zinc/50/10/35/1413501035.db2.gz GRARCEWEWSGGQV-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001700356302 1413858930 /nfs/dbraw/zinc/85/89/30/1413858930.db2.gz GUVVWHHGDUEYND-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001700356302 1413858936 /nfs/dbraw/zinc/85/89/36/1413858936.db2.gz GUVVWHHGDUEYND-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001700356302 1413858940 /nfs/dbraw/zinc/85/89/40/1413858940.db2.gz GUVVWHHGDUEYND-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700526032 1414187571 /nfs/dbraw/zinc/18/75/71/1414187571.db2.gz VPKAEMLMJNQYBA-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700526032 1414187573 /nfs/dbraw/zinc/18/75/73/1414187573.db2.gz VPKAEMLMJNQYBA-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700526032 1414187575 /nfs/dbraw/zinc/18/75/75/1414187575.db2.gz VPKAEMLMJNQYBA-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001700530926 1414197226 /nfs/dbraw/zinc/19/72/26/1414197226.db2.gz IJNSHAYNOFKIBM-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001700638607 1414304784 /nfs/dbraw/zinc/30/47/84/1414304784.db2.gz HMOLORAIPQFHKA-BJLQDIEVSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001707237042 1417257501 /nfs/dbraw/zinc/25/75/01/1417257501.db2.gz HTRYUFDZAUDDQU-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131545 1417705750 /nfs/dbraw/zinc/70/57/50/1417705750.db2.gz HALAAKXCZMGTJN-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713131545 1417705752 /nfs/dbraw/zinc/70/57/52/1417705752.db2.gz HALAAKXCZMGTJN-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713131545 1417705756 /nfs/dbraw/zinc/70/57/56/1417705756.db2.gz HALAAKXCZMGTJN-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001713265381 1417873469 /nfs/dbraw/zinc/87/34/69/1417873469.db2.gz CYCXDJXOJUTZQQ-UFYCRDLUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269434 1417878836 /nfs/dbraw/zinc/87/88/36/1417878836.db2.gz DFIGHALISVBODX-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001713592003 1418386139 /nfs/dbraw/zinc/38/61/39/1418386139.db2.gz FYNCYNBXSBWXIY-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713721143 1418494276 /nfs/dbraw/zinc/49/42/76/1418494276.db2.gz KNBWRAHEMHGEGS-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752300 1418553808 /nfs/dbraw/zinc/55/38/08/1418553808.db2.gz MDHVIZGBXKNOCR-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713851639 1418647947 /nfs/dbraw/zinc/64/79/47/1418647947.db2.gz WMRXZRNQMGWQJX-QZTJIDSGSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001713933008 1418722724 /nfs/dbraw/zinc/72/27/24/1418722724.db2.gz FIVRGEUVKSYMDL-QYZOEREBSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713933008 1418722726 /nfs/dbraw/zinc/72/27/26/1418722726.db2.gz FIVRGEUVKSYMDL-QYZOEREBSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001713933008 1418722727 /nfs/dbraw/zinc/72/27/27/1418722727.db2.gz FIVRGEUVKSYMDL-QYZOEREBSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440159 1419171761 /nfs/dbraw/zinc/17/17/61/1419171761.db2.gz HLOYUXYPRDDNBO-SFHVURJKSA-N 2 1 340.471 3.145 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449592 1419182354 /nfs/dbraw/zinc/18/23/54/1419182354.db2.gz XCYNBIZBKWKMCP-MSOLQXFVSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449592 1419182355 /nfs/dbraw/zinc/18/23/55/1419182355.db2.gz XCYNBIZBKWKMCP-MSOLQXFVSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714914872 1419663963 /nfs/dbraw/zinc/66/39/63/1419663963.db2.gz ZQAKHIXCVPVFSX-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCCCC1 ZINC001714977942 1419712863 /nfs/dbraw/zinc/71/28/63/1419712863.db2.gz PECBWJJWDIIWLT-VQTJNVASSA-N 2 1 349.563 3.339 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270143 1429432195 /nfs/dbraw/zinc/43/21/95/1429432195.db2.gz WGIFZBNUZARLQW-UXHICEINSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716513499 1420743868 /nfs/dbraw/zinc/74/38/68/1420743868.db2.gz CQFKTVDJLHRZLC-AEFFLSMTSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001716796712 1420929429 /nfs/dbraw/zinc/92/94/29/1420929429.db2.gz HJUAUSFJKHBYDC-KRWDZBQOSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001733277928 1429444494 /nfs/dbraw/zinc/44/44/94/1429444494.db2.gz JDDZMSCWKOPOBL-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001733277928 1429444501 /nfs/dbraw/zinc/44/45/01/1429444501.db2.gz JDDZMSCWKOPOBL-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001733277928 1429444505 /nfs/dbraw/zinc/44/45/05/1429444505.db2.gz JDDZMSCWKOPOBL-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717036604 1421090265 /nfs/dbraw/zinc/09/02/65/1421090265.db2.gz GBBZHFWBWULJMQ-XUVXKRRUSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717036604 1421090266 /nfs/dbraw/zinc/09/02/66/1421090266.db2.gz GBBZHFWBWULJMQ-XUVXKRRUSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717036604 1421090269 /nfs/dbraw/zinc/09/02/69/1421090269.db2.gz GBBZHFWBWULJMQ-XUVXKRRUSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001717218103 1421196220 /nfs/dbraw/zinc/19/62/20/1421196220.db2.gz ZDRLMMKZUZXQNM-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717218103 1421196223 /nfs/dbraw/zinc/19/62/23/1421196223.db2.gz ZDRLMMKZUZXQNM-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717218103 1421196226 /nfs/dbraw/zinc/19/62/26/1421196226.db2.gz ZDRLMMKZUZXQNM-UXHICEINSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC001733290112 1429468974 /nfs/dbraw/zinc/46/89/74/1429468974.db2.gz BNVZQFNEVLFTRL-KRWDZBQOSA-N 2 1 344.503 3.012 10 30 EGEEMP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001717516054 1421453227 /nfs/dbraw/zinc/45/32/27/1421453227.db2.gz ZNHOJBPVVIJXPH-GBESFXJTSA-N 2 1 337.552 3.146 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632179 1421542424 /nfs/dbraw/zinc/54/24/24/1421542424.db2.gz BYZGUDSZNVUXJJ-NRSPTQNISA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001717632179 1421542428 /nfs/dbraw/zinc/54/24/28/1421542428.db2.gz BYZGUDSZNVUXJJ-NRSPTQNISA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001717632179 1421542430 /nfs/dbraw/zinc/54/24/30/1421542430.db2.gz BYZGUDSZNVUXJJ-NRSPTQNISA-N 2 1 349.563 3.079 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001717841560 1421656770 /nfs/dbraw/zinc/65/67/70/1421656770.db2.gz SWSFRPLCTUFUFN-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001717841560 1421656773 /nfs/dbraw/zinc/65/67/73/1421656773.db2.gz SWSFRPLCTUFUFN-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001717841560 1421656778 /nfs/dbraw/zinc/65/67/78/1421656778.db2.gz SWSFRPLCTUFUFN-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001717950924 1421719810 /nfs/dbraw/zinc/71/98/10/1421719810.db2.gz ZIANOVJCBKVDEE-QYZOEREBSA-N 2 1 337.552 3.240 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001717950924 1421719811 /nfs/dbraw/zinc/71/98/11/1421719811.db2.gz ZIANOVJCBKVDEE-QYZOEREBSA-N 2 1 337.552 3.240 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001717950924 1421719813 /nfs/dbraw/zinc/71/98/13/1421719813.db2.gz ZIANOVJCBKVDEE-QYZOEREBSA-N 2 1 337.552 3.240 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726271 1424551220 /nfs/dbraw/zinc/55/12/20/1424551220.db2.gz FVFLTFSIWHUBDF-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001724600666 1424932069 /nfs/dbraw/zinc/93/20/69/1424932069.db2.gz CUHQXUIUFOQNTF-ACDBMABISA-N 2 1 347.547 3.044 10 30 EGEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001724886354 1425270251 /nfs/dbraw/zinc/27/02/51/1425270251.db2.gz IGSBSXUUULRTIU-UHFFFAOYSA-N 2 1 347.547 3.024 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998350 1425406472 /nfs/dbraw/zinc/40/64/72/1425406472.db2.gz ASSOFKVNZLFAOV-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998350 1425406475 /nfs/dbraw/zinc/40/64/75/1425406475.db2.gz ASSOFKVNZLFAOV-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725048121 1425479133 /nfs/dbraw/zinc/47/91/33/1425479133.db2.gz OZSPFFVBKPEXFI-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725058522 1425497860 /nfs/dbraw/zinc/49/78/60/1425497860.db2.gz LJOBZUITUAAZJU-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725058522 1425497863 /nfs/dbraw/zinc/49/78/63/1425497863.db2.gz LJOBZUITUAAZJU-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001731366091 1427298366 /nfs/dbraw/zinc/29/83/66/1427298366.db2.gz WMFGUVGILBCDDC-FQEVSTJZSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470532 1427450581 /nfs/dbraw/zinc/45/05/81/1427450581.db2.gz JLZNTWXMELJHHB-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731826374 1428030399 /nfs/dbraw/zinc/03/03/99/1428030399.db2.gz CLCYJIGJFQDETJ-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733687862 1429903573 /nfs/dbraw/zinc/90/35/73/1429903573.db2.gz VUWKKRRUTNENKY-GUDVDZBRSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001734456655 1438113897 /nfs/dbraw/zinc/11/38/97/1438113897.db2.gz HKDBOZSVLUAOAZ-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP Cn1cc[nH+]c1CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156211764 152660364 /nfs/dbraw/zinc/66/03/64/152660364.db2.gz CITFOQPTRRAZFD-UHFFFAOYSA-N 2 1 338.455 3.015 10 30 EGEEMP Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)[nH+]1 ZINC000171652183 227199161 /nfs/dbraw/zinc/19/91/61/227199161.db2.gz JVZQGIHZWFBTIX-GOSISDBHSA-N 2 1 336.439 3.075 10 30 EGEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)C2)[nH+]1 ZINC000171652183 227199166 /nfs/dbraw/zinc/19/91/66/227199166.db2.gz JVZQGIHZWFBTIX-GOSISDBHSA-N 2 1 336.439 3.075 10 30 EGEEMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248648792 308008577 /nfs/dbraw/zinc/00/85/77/308008577.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 1 334.467 3.468 10 30 EGEEMP C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648792 308008578 /nfs/dbraw/zinc/00/85/78/308008578.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 1 334.467 3.468 10 30 EGEEMP C[C@H]1C[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298605 454882169 /nfs/dbraw/zinc/88/21/69/454882169.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 1 340.389 3.351 10 30 EGEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142004 462405267 /nfs/dbraw/zinc/40/52/67/462405267.db2.gz YDSOOHPQZGCEGM-NJYVYQBISA-N 2 1 328.500 3.478 10 30 EGEEMP C[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809311 1328707384 /nfs/dbraw/zinc/70/73/84/1328707384.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 1 334.467 3.438 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001323860925 1387481674 /nfs/dbraw/zinc/48/16/74/1387481674.db2.gz YSRLWJJBHKBTAT-ICSRJNTNSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566649 1388241373 /nfs/dbraw/zinc/24/13/73/1388241373.db2.gz MOZLCUISNPVJKT-MUGJNUQGSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265619564 1377155220 /nfs/dbraw/zinc/15/52/20/1377155220.db2.gz PBOPRKILZJNJGG-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001277473189 1378226896 /nfs/dbraw/zinc/22/68/96/1378226896.db2.gz APQIYQOLENTMQJ-FQEVSTJZSA-N 2 1 346.519 3.168 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001327542591 1388556874 /nfs/dbraw/zinc/55/68/74/1388556874.db2.gz XKKZONQWMFLYJS-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001283335148 1378818436 /nfs/dbraw/zinc/81/84/36/1378818436.db2.gz RGTHWHCNTKIVEG-KRWDZBQOSA-N 2 1 346.519 3.249 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001283335148 1378818439 /nfs/dbraw/zinc/81/84/39/1378818439.db2.gz RGTHWHCNTKIVEG-KRWDZBQOSA-N 2 1 346.519 3.249 10 30 EGEEMP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284151127 1379545651 /nfs/dbraw/zinc/54/56/51/1379545651.db2.gz DOXWVVQTWZEKGJ-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284151127 1379545675 /nfs/dbraw/zinc/54/56/75/1379545675.db2.gz DOXWVVQTWZEKGJ-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098290 1388670138 /nfs/dbraw/zinc/67/01/38/1388670138.db2.gz LMWREKLYLMECIN-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001328098290 1388670141 /nfs/dbraw/zinc/67/01/41/1388670141.db2.gz LMWREKLYLMECIN-RTBURBONSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099729 1388671367 /nfs/dbraw/zinc/67/13/67/1388671367.db2.gz XVMOJRFMFYGYRR-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328268158 1388706359 /nfs/dbraw/zinc/70/63/59/1388706359.db2.gz RYRKRFBQSRKZBP-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001328268158 1388706361 /nfs/dbraw/zinc/70/63/61/1388706361.db2.gz RYRKRFBQSRKZBP-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001328268158 1388706362 /nfs/dbraw/zinc/70/63/62/1388706362.db2.gz RYRKRFBQSRKZBP-MSOLQXFVSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001317085047 1384847313 /nfs/dbraw/zinc/84/73/13/1384847313.db2.gz DMOKYPVQOSDBTQ-CADBVGFASA-N 2 1 335.536 3.211 10 30 EGEEMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)CC1 ZINC001175360907 1385266440 /nfs/dbraw/zinc/26/64/40/1385266440.db2.gz CCIRIQRSYAHNDN-RTBURBONSA-N 2 1 333.520 3.018 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001317880628 1385558947 /nfs/dbraw/zinc/55/89/47/1385558947.db2.gz ZFMBUGLIXDQMNO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001317880628 1385558951 /nfs/dbraw/zinc/55/89/51/1385558951.db2.gz ZFMBUGLIXDQMNO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001317880628 1385558955 /nfs/dbraw/zinc/55/89/55/1385558955.db2.gz ZFMBUGLIXDQMNO-VQTJNVASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001319008620 1385922658 /nfs/dbraw/zinc/92/26/58/1385922658.db2.gz HFMADQDCINUWQV-IYBDPMFKSA-N 2 1 349.906 3.018 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001330644928 1389482039 /nfs/dbraw/zinc/48/20/39/1389482039.db2.gz VTIWDSCAHAJLTK-QWFCFKBJSA-N 2 1 347.547 3.234 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001331200177 1389651673 /nfs/dbraw/zinc/65/16/73/1389651673.db2.gz QSHLGTFKSKTQFF-UYAOXDASSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331438485 1389748351 /nfs/dbraw/zinc/74/83/51/1389748351.db2.gz HLAAUZYBXAKSNL-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332218500 1390050147 /nfs/dbraw/zinc/05/01/47/1390050147.db2.gz LKVOZYUAWPGANI-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332218500 1390050152 /nfs/dbraw/zinc/05/01/52/1390050152.db2.gz LKVOZYUAWPGANI-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332218500 1390050155 /nfs/dbraw/zinc/05/01/55/1390050155.db2.gz LKVOZYUAWPGANI-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332218500 1390050160 /nfs/dbraw/zinc/05/01/60/1390050160.db2.gz LKVOZYUAWPGANI-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001479737388 1392349739 /nfs/dbraw/zinc/34/97/39/1392349739.db2.gz NIMUEWLRZXWXHI-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001479737388 1392349741 /nfs/dbraw/zinc/34/97/41/1392349741.db2.gz NIMUEWLRZXWXHI-SFHVURJKSA-N 2 1 346.519 3.286 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001480103603 1392586848 /nfs/dbraw/zinc/58/68/48/1392586848.db2.gz VIWSOALHSPAJHN-AQNXPRMDSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480319818 1392679832 /nfs/dbraw/zinc/67/98/32/1392679832.db2.gz RDKBLMAKEUWTMU-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480319818 1392679833 /nfs/dbraw/zinc/67/98/33/1392679833.db2.gz RDKBLMAKEUWTMU-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480319818 1392679834 /nfs/dbraw/zinc/67/98/34/1392679834.db2.gz RDKBLMAKEUWTMU-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434819 1394290493 /nfs/dbraw/zinc/29/04/93/1394290493.db2.gz FGXVVPBQCPYYBG-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481434819 1394290499 /nfs/dbraw/zinc/29/04/99/1394290499.db2.gz FGXVVPBQCPYYBG-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481434819 1394290501 /nfs/dbraw/zinc/29/05/01/1394290501.db2.gz FGXVVPBQCPYYBG-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132098 1394445911 /nfs/dbraw/zinc/44/59/11/1394445911.db2.gz BJBTZCPWYJZSNJ-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132098 1394445915 /nfs/dbraw/zinc/44/59/15/1394445915.db2.gz BJBTZCPWYJZSNJ-ICSRJNTNSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001481845019 1394555387 /nfs/dbraw/zinc/55/53/87/1394555387.db2.gz YNTHHXQZCLXHHG-PKOBYXMFSA-N 2 1 335.536 3.234 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845118 1395111953 /nfs/dbraw/zinc/11/19/53/1395111953.db2.gz GTDWQXPXGWOGTE-FQEVSTJZSA-N 2 1 349.563 3.223 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001484122257 1395264554 /nfs/dbraw/zinc/26/45/54/1395264554.db2.gz QOKZLFQXALCFKQ-CTNGQTDRSA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484158764 1395294436 /nfs/dbraw/zinc/29/44/36/1395294436.db2.gz IFYJJIVXWYWYAK-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001484158764 1395294439 /nfs/dbraw/zinc/29/44/39/1395294439.db2.gz IFYJJIVXWYWYAK-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001484158764 1395294443 /nfs/dbraw/zinc/29/44/43/1395294443.db2.gz IFYJJIVXWYWYAK-ICSRJNTNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484715827 1395476041 /nfs/dbraw/zinc/47/60/41/1395476041.db2.gz XSKPWHBZWMTTGO-QGZVFWFLSA-N 2 1 349.544 3.360 10 30 EGEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001484891065 1395587768 /nfs/dbraw/zinc/58/77/68/1395587768.db2.gz CBSDANQRTOADND-WMZOPIPTSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001689951951 1404222956 /nfs/dbraw/zinc/22/29/56/1404222956.db2.gz OQDKTKBBVRUKCP-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001689951951 1404222961 /nfs/dbraw/zinc/22/29/61/1404222961.db2.gz OQDKTKBBVRUKCP-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001689951951 1404222964 /nfs/dbraw/zinc/22/29/64/1404222964.db2.gz OQDKTKBBVRUKCP-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215471 1404423095 /nfs/dbraw/zinc/42/30/95/1404423095.db2.gz REZMXFHRPBJEEJ-AQNXPRMDSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001690533996 1404624589 /nfs/dbraw/zinc/62/45/89/1404624589.db2.gz FBXDYJCYPGDDAD-LWSMDNFKSA-N 2 1 337.552 3.314 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691620614 1405361636 /nfs/dbraw/zinc/36/16/36/1405361636.db2.gz MIRBSJZZPWXVAR-ROUUACIJSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001691647003 1405379081 /nfs/dbraw/zinc/37/90/81/1405379081.db2.gz VCWIMUJHJFLBEV-SFHVURJKSA-N 2 1 335.536 3.118 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691794299 1405505866 /nfs/dbraw/zinc/50/58/66/1405505866.db2.gz YBQUVFIENPCYMK-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691812233 1405524803 /nfs/dbraw/zinc/52/48/03/1405524803.db2.gz TXPABWXQAOEZFX-QYZOEREBSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700097898 1413514435 /nfs/dbraw/zinc/51/44/35/1413514435.db2.gz OHOUOYHZOKDAQY-GUDVDZBRSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204386 1413650404 /nfs/dbraw/zinc/65/04/04/1413650404.db2.gz XFCNWZSQBFFCAQ-HKUYNNGSSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204386 1413650409 /nfs/dbraw/zinc/65/04/09/1413650409.db2.gz XFCNWZSQBFFCAQ-HKUYNNGSSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204387 1413650672 /nfs/dbraw/zinc/65/06/72/1413650672.db2.gz XFCNWZSQBFFCAQ-IEBWSBKVSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204387 1413650675 /nfs/dbraw/zinc/65/06/75/1413650675.db2.gz XFCNWZSQBFFCAQ-IEBWSBKVSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001700281413 1413727161 /nfs/dbraw/zinc/72/71/61/1413727161.db2.gz WNQUVZITJTWCDJ-IBGZPJMESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293608 1413751082 /nfs/dbraw/zinc/75/10/82/1413751082.db2.gz UFPARILCWQAONV-MSOLQXFVSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001700321388 1413787268 /nfs/dbraw/zinc/78/72/68/1413787268.db2.gz ZXLPXPZFVVGJAR-MJGOQNOKSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354733 1413853753 /nfs/dbraw/zinc/85/37/53/1413853753.db2.gz UUKNFOLDNJDRMQ-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001700697990 1414357630 /nfs/dbraw/zinc/35/76/30/1414357630.db2.gz ONJCKUHXBTZKKU-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001700697990 1414357634 /nfs/dbraw/zinc/35/76/34/1414357634.db2.gz ONJCKUHXBTZKKU-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001700697990 1414357638 /nfs/dbraw/zinc/35/76/38/1414357638.db2.gz ONJCKUHXBTZKKU-FQEVSTJZSA-N 2 1 343.515 3.178 10 30 EGEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732893803 1429032129 /nfs/dbraw/zinc/03/21/29/1429032129.db2.gz WUQBMMGDLJWALY-OVKVCFKUSA-N 2 1 333.520 3.012 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001713096692 1417645922 /nfs/dbraw/zinc/64/59/22/1417645922.db2.gz DOFFHKDOUIMAHU-MOPGFXCFSA-N 2 1 349.563 3.269 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713268672 1417877714 /nfs/dbraw/zinc/87/77/14/1417877714.db2.gz BLXJYYQZBRZJBP-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001713592000 1418385784 /nfs/dbraw/zinc/38/57/84/1418385784.db2.gz FYNCYNBXSBWXIY-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720225 1418491551 /nfs/dbraw/zinc/49/15/51/1418491551.db2.gz QTIHQJPYAFTNFF-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP 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ZINC001714158286 1418968747 /nfs/dbraw/zinc/96/87/47/1418968747.db2.gz YHSYFDQJIBXMMT-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001714316865 1419095065 /nfs/dbraw/zinc/09/50/65/1419095065.db2.gz GHODZDMRUIGLLG-UFYCRDLUSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622132 1419389873 /nfs/dbraw/zinc/38/98/73/1419389873.db2.gz KVPUPXOYCVFBPX-XLIONFOSSA-N 2 1 343.515 3.297 10 30 EGEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC001714972915 1419707595 /nfs/dbraw/zinc/70/75/95/1419707595.db2.gz AJUXQRMEEHJCDD-PMACEKPBSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714978581 1419713113 /nfs/dbraw/zinc/71/31/13/1419713113.db2.gz RIOKTQDHAMYPNC-RTBURBONSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001715181958 1419916108 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QZVVVDJLDXYPES-ZCNNSNEGSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001733274974 1429437807 /nfs/dbraw/zinc/43/78/07/1429437807.db2.gz QZVVVDJLDXYPES-ZCNNSNEGSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039289 1421093523 /nfs/dbraw/zinc/09/35/23/1421093523.db2.gz XJDCTALBJMILIP-PMACEKPBSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001717308391 1421250617 /nfs/dbraw/zinc/25/06/17/1421250617.db2.gz RDKUDIUONJKCJJ-SFHVURJKSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001717454004 1421383284 /nfs/dbraw/zinc/38/32/84/1421383284.db2.gz LNZLPWDFSNHXIC-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001717454003 1421383330 /nfs/dbraw/zinc/38/33/30/1421383330.db2.gz LNZLPWDFSNHXIC-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP 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ZINC001717702546 1421575867 /nfs/dbraw/zinc/57/58/67/1421575867.db2.gz ZPFHXMOSWYPWAL-ZWKOTPCHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001717702546 1421575869 /nfs/dbraw/zinc/57/58/69/1421575869.db2.gz ZPFHXMOSWYPWAL-ZWKOTPCHSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001717841562 1421656742 /nfs/dbraw/zinc/65/67/42/1421656742.db2.gz SWSFRPLCTUFUFN-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001717841562 1421656745 /nfs/dbraw/zinc/65/67/45/1421656745.db2.gz SWSFRPLCTUFUFN-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001717841562 1421656746 /nfs/dbraw/zinc/65/67/46/1421656746.db2.gz SWSFRPLCTUFUFN-SVFBPWRDSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001717898801 1421695891 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3.243 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286455 1425926508 /nfs/dbraw/zinc/92/65/08/1425926508.db2.gz RISMXTRFOWGZRW-OTWHNJEPSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286455 1425926509 /nfs/dbraw/zinc/92/65/09/1425926509.db2.gz RISMXTRFOWGZRW-OTWHNJEPSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286455 1425926510 /nfs/dbraw/zinc/92/65/10/1425926510.db2.gz RISMXTRFOWGZRW-OTWHNJEPSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001725642664 1426322276 /nfs/dbraw/zinc/32/22/76/1426322276.db2.gz WKTNMUXVZLBTHO-ROUUACIJSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001725769597 1426453820 /nfs/dbraw/zinc/45/38/20/1426453820.db2.gz JSMRTBSPKXCZIE-AOIWGVFYSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001731536576 1427534901 /nfs/dbraw/zinc/53/49/01/1427534901.db2.gz NSFHFOSHDHLWAI-QZTJIDSGSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001731536576 1427534902 /nfs/dbraw/zinc/53/49/02/1427534902.db2.gz NSFHFOSHDHLWAI-QZTJIDSGSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731537038 1427536445 /nfs/dbraw/zinc/53/64/45/1427536445.db2.gz QKHLXMNDLMGXEG-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598364 1429797620 /nfs/dbraw/zinc/79/76/20/1429797620.db2.gz LBKPSIUKEPPZFD-MOPGFXCFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733607624 1429825318 /nfs/dbraw/zinc/82/53/18/1429825318.db2.gz TZOSJGUDXAWCTO-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607624 1429825336 /nfs/dbraw/zinc/82/53/36/1429825336.db2.gz TZOSJGUDXAWCTO-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607624 1429825345 /nfs/dbraw/zinc/82/53/45/1429825345.db2.gz TZOSJGUDXAWCTO-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733686153 1429902398 /nfs/dbraw/zinc/90/23/98/1429902398.db2.gz IWFCBBTVBNQUPL-GUDVDZBRSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001733783018 1430050974 /nfs/dbraw/zinc/05/09/74/1430050974.db2.gz UWNPFHIQSVNDES-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783018 1430050980 /nfs/dbraw/zinc/05/09/80/1430050980.db2.gz UWNPFHIQSVNDES-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783018 1430050985 /nfs/dbraw/zinc/05/09/85/1430050985.db2.gz UWNPFHIQSVNDES-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734195000 1437936210 /nfs/dbraw/zinc/93/62/10/1437936210.db2.gz VAISCRJYCIMQRB-ZCNNSNEGSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001734441127 1438103072 /nfs/dbraw/zinc/10/30/72/1438103072.db2.gz BVKRBTWQXAVVRU-YSIASYRMSA-N 2 1 347.547 3.044 10 30 EGEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716559 460576776 /nfs/dbraw/zinc/57/67/76/460576776.db2.gz HEXHBDJSAGPUPH-XLIONFOSSA-N 2 1 341.499 3.063 10 30 EGEEMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280687854 456031658 /nfs/dbraw/zinc/03/16/58/456031658.db2.gz ASOHJUOFNZQYSH-WLRLJWMZSA-N 2 1 328.500 3.468 10 30 EGEEMP C=C(C)C[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364078652 457479234 /nfs/dbraw/zinc/47/92/34/457479234.db2.gz IEMFNAJWPIFWQN-SFHVURJKSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054139 458327638 /nfs/dbraw/zinc/32/76/38/458327638.db2.gz PLMVPHRCCMBXJH-ZWKOTPCHSA-N 2 1 330.472 3.093 10 30 EGEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594441643 460221910 /nfs/dbraw/zinc/22/19/10/460221910.db2.gz UBAGXRKGSFJBAL-VQIMIIECSA-N 2 1 342.487 3.268 10 30 EGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623407796 460532239 /nfs/dbraw/zinc/53/22/39/460532239.db2.gz XJJKLQOINGNTGX-UHFFFAOYSA-N 2 1 330.472 3.367 10 30 EGEEMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1cccs1 ZINC000095963353 1292946559 /nfs/dbraw/zinc/94/65/59/1292946559.db2.gz JYOLFIDLWONDII-WMLDXEAASA-N 2 1 334.533 3.368 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000876719774 1298935630 /nfs/dbraw/zinc/93/56/30/1298935630.db2.gz VEFWXJMDKNBHOF-CRAIPNDOSA-N 2 1 349.906 3.147 10 30 EGEEMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1Cc2ccccc2O1 ZINC000883171665 1302283431 /nfs/dbraw/zinc/28/34/31/1302283431.db2.gz FDALPAONBOWTTQ-NBHGPNQESA-N 2 1 326.484 3.399 10 30 EGEEMP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000921495657 1322328929 /nfs/dbraw/zinc/32/89/29/1322328929.db2.gz FXDWEQPEOAHZFQ-UHFFFAOYSA-N 2 1 349.478 3.297 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801663 1331199743 /nfs/dbraw/zinc/19/97/43/1331199743.db2.gz WEXGOEXUTPCXRC-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801663 1331199746 /nfs/dbraw/zinc/19/97/46/1331199746.db2.gz WEXGOEXUTPCXRC-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801663 1331199747 /nfs/dbraw/zinc/19/97/47/1331199747.db2.gz WEXGOEXUTPCXRC-RTBURBONSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801661 1331199897 /nfs/dbraw/zinc/19/98/97/1331199897.db2.gz WEXGOEXUTPCXRC-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801661 1331199899 /nfs/dbraw/zinc/19/98/99/1331199899.db2.gz WEXGOEXUTPCXRC-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801661 1331199901 /nfs/dbraw/zinc/19/99/01/1331199901.db2.gz WEXGOEXUTPCXRC-OALUTQOASA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941243745 1331409299 /nfs/dbraw/zinc/40/92/99/1331409299.db2.gz FBTSGHPMLGEQPZ-SFHVURJKSA-N 2 1 347.503 3.138 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941243744 1331409710 /nfs/dbraw/zinc/40/97/10/1331409710.db2.gz FBTSGHPMLGEQPZ-GOSISDBHSA-N 2 1 347.503 3.138 10 30 EGEEMP OC1(C[NH+]2CCCCC2)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC001198613025 1369072773 /nfs/dbraw/zinc/07/27/73/1369072773.db2.gz UYPZHDPXLBPEFJ-UHFFFAOYSA-N 2 1 346.902 3.004 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001325662883 1388024201 /nfs/dbraw/zinc/02/42/01/1388024201.db2.gz SVFZLWBSMCTWTH-VAMGGRTRSA-N 2 1 349.563 3.195 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915073 1388079758 /nfs/dbraw/zinc/07/97/58/1388079758.db2.gz CJGYKAHYHHCXHV-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001325915073 1388079764 /nfs/dbraw/zinc/07/97/64/1388079764.db2.gz CJGYKAHYHHCXHV-OALUTQOASA-N 2 1 344.503 3.003 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516162 1377450698 /nfs/dbraw/zinc/45/06/98/1377450698.db2.gz AFWACPSDISWDOB-YLJYHZDGSA-N 2 1 343.515 3.085 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001268952203 1377532994 /nfs/dbraw/zinc/53/29/94/1377532994.db2.gz VYMXOYJPXOHUFF-IRXDYDNUSA-N 2 1 338.455 3.208 10 30 EGEEMP C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001268952203 1377532997 /nfs/dbraw/zinc/53/29/97/1377532997.db2.gz VYMXOYJPXOHUFF-IRXDYDNUSA-N 2 1 338.455 3.208 10 30 EGEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001327494261 1388535802 /nfs/dbraw/zinc/53/58/02/1388535802.db2.gz ZKCSPIDKSHEALM-HDICACEKSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001283332084 1378814615 /nfs/dbraw/zinc/81/46/15/1378814615.db2.gz PCRXNGPYENLOTM-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001283332084 1378814622 /nfs/dbraw/zinc/81/46/22/1378814622.db2.gz PCRXNGPYENLOTM-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001283332084 1378814629 /nfs/dbraw/zinc/81/46/29/1378814629.db2.gz PCRXNGPYENLOTM-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001283435170 1378927050 /nfs/dbraw/zinc/92/70/50/1378927050.db2.gz VJSBTOFXYWBNDL-MISYRCLQSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328068528 1388660372 /nfs/dbraw/zinc/66/03/72/1388660372.db2.gz RICMHYZUFVBJAX-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068528 1388660374 /nfs/dbraw/zinc/66/03/74/1388660374.db2.gz RICMHYZUFVBJAX-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068528 1388660377 /nfs/dbraw/zinc/66/03/77/1388660377.db2.gz RICMHYZUFVBJAX-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588896 1388784407 /nfs/dbraw/zinc/78/44/07/1388784407.db2.gz OYIUCYPSLWYOQO-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328588896 1388784409 /nfs/dbraw/zinc/78/44/09/1388784409.db2.gz OYIUCYPSLWYOQO-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328588896 1388784411 /nfs/dbraw/zinc/78/44/11/1388784411.db2.gz OYIUCYPSLWYOQO-QUCCMNQESA-N 2 1 349.563 3.243 10 30 EGEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811693 1384609113 /nfs/dbraw/zinc/60/91/13/1384609113.db2.gz OBBBDHTZUVINPZ-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)C1 ZINC001316811693 1384609116 /nfs/dbraw/zinc/60/91/16/1384609116.db2.gz OBBBDHTZUVINPZ-MOPGFXCFSA-N 2 1 343.515 3.082 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001316879335 1384664565 /nfs/dbraw/zinc/66/45/65/1384664565.db2.gz KHIAIKQUSKTXAT-MJGOQNOKSA-N 2 1 346.519 3.297 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317039788 1384812727 /nfs/dbraw/zinc/81/27/27/1384812727.db2.gz UWPCIGYMFYXKFC-LJQANCHMSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317173894 1384942947 /nfs/dbraw/zinc/94/29/47/1384942947.db2.gz PQHJRHYLDIVEMW-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317301021 1385069506 /nfs/dbraw/zinc/06/95/06/1385069506.db2.gz PWRLFIAXOPNNNI-AZUAARDMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001319774114 1386290917 /nfs/dbraw/zinc/29/09/17/1386290917.db2.gz GRIXUHIUVKCJBF-FHWLQOOXSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001698704694 1406346732 /nfs/dbraw/zinc/34/67/32/1406346732.db2.gz XTZDCZFLBIJWPK-UYAOXDASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329954717 1389273004 /nfs/dbraw/zinc/27/30/04/1389273004.db2.gz UXUDGSKVGNEXHS-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001479635066 1392298910 /nfs/dbraw/zinc/29/89/10/1392298910.db2.gz UJOKWYHGYKNKQC-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001479737659 1392349843 /nfs/dbraw/zinc/34/98/43/1392349843.db2.gz KXMZRQWEBNVPKM-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479737659 1392349846 /nfs/dbraw/zinc/34/98/46/1392349846.db2.gz KXMZRQWEBNVPKM-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479737659 1392349850 /nfs/dbraw/zinc/34/98/50/1392349850.db2.gz KXMZRQWEBNVPKM-SFHVURJKSA-N 2 1 337.552 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480138657 1392598649 /nfs/dbraw/zinc/59/86/49/1392598649.db2.gz KUJMRUKMZWSMOH-RDGPPVDQSA-N 2 1 347.547 3.233 10 30 EGEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001480324410 1392684633 /nfs/dbraw/zinc/68/46/33/1392684633.db2.gz QNYTZGWHXAYHAR-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480324410 1392684634 /nfs/dbraw/zinc/68/46/34/1392684634.db2.gz QNYTZGWHXAYHAR-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480324410 1392684635 /nfs/dbraw/zinc/68/46/35/1392684635.db2.gz QNYTZGWHXAYHAR-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723370 1392885227 /nfs/dbraw/zinc/88/52/27/1392885227.db2.gz CDZVNRQDSLOSPV-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480723370 1392885237 /nfs/dbraw/zinc/88/52/37/1392885237.db2.gz CDZVNRQDSLOSPV-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480723370 1392885243 /nfs/dbraw/zinc/88/52/43/1392885243.db2.gz CDZVNRQDSLOSPV-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490980509 1394390393 /nfs/dbraw/zinc/39/03/93/1394390393.db2.gz DVRQCMZQEPSMOO-RBUKOAKNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490980509 1394390396 /nfs/dbraw/zinc/39/03/96/1394390396.db2.gz DVRQCMZQEPSMOO-RBUKOAKNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490980509 1394390402 /nfs/dbraw/zinc/39/04/02/1394390402.db2.gz DVRQCMZQEPSMOO-RBUKOAKNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001481677952 1394444445 /nfs/dbraw/zinc/44/44/45/1394444445.db2.gz DPVWWRVAERWOEZ-ROUUACIJSA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001481677952 1394444446 /nfs/dbraw/zinc/44/44/46/1394444446.db2.gz DPVWWRVAERWOEZ-ROUUACIJSA-N 2 1 344.503 3.038 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481733931 1394482437 /nfs/dbraw/zinc/48/24/37/1394482437.db2.gz BZQZFHYPKKMRLW-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484716251 1395477262 /nfs/dbraw/zinc/47/72/62/1395477262.db2.gz GOJOUNHLTFWYBI-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001484716251 1395477263 /nfs/dbraw/zinc/47/72/63/1395477263.db2.gz GOJOUNHLTFWYBI-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001484716251 1395477265 /nfs/dbraw/zinc/47/72/65/1395477265.db2.gz GOJOUNHLTFWYBI-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001484829367 1395567054 /nfs/dbraw/zinc/56/70/54/1395567054.db2.gz IJZIAKRPPYIQAE-NRFANRHFSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001485435717 1395902986 /nfs/dbraw/zinc/90/29/86/1395902986.db2.gz ZBMWAGYRNBBTQK-AZUAARDMSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCCCCC)CC2)CC1 ZINC001503763437 1396267973 /nfs/dbraw/zinc/26/79/73/1396267973.db2.gz AADMGCRXUOXGHQ-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699027540 1406863885 /nfs/dbraw/zinc/86/38/85/1406863885.db2.gz IONWWUNHHDRXPY-PKOBYXMFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001691765274 1405478445 /nfs/dbraw/zinc/47/84/45/1405478445.db2.gz NKGVSACHQSZELC-CEXWTWQISA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691793829 1405504033 /nfs/dbraw/zinc/50/40/33/1405504033.db2.gz DGFJBBAEOVSNLV-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691823572 1405539402 /nfs/dbraw/zinc/53/94/02/1405539402.db2.gz SWKQHSRGQIFCEU-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001691976324 1405690721 /nfs/dbraw/zinc/69/07/21/1405690721.db2.gz PICGFSOJTKYGGD-AKHDSKFASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001691976324 1405690730 /nfs/dbraw/zinc/69/07/30/1405690730.db2.gz PICGFSOJTKYGGD-AKHDSKFASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001691976324 1405690731 /nfs/dbraw/zinc/69/07/31/1405690731.db2.gz PICGFSOJTKYGGD-AKHDSKFASA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001692124763 1405786054 /nfs/dbraw/zinc/78/60/54/1405786054.db2.gz PPLFDGAZKZGUOM-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001692208411 1405844852 /nfs/dbraw/zinc/84/48/52/1405844852.db2.gz LFDSLMCLMIHVFH-MJGOQNOKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692318755 1405937804 /nfs/dbraw/zinc/93/78/04/1405937804.db2.gz IAOUYDLWVFOFIH-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001732017670 1428233706 /nfs/dbraw/zinc/23/37/06/1428233706.db2.gz NEUSFIIAIAWTHC-VQTJNVASSA-N 2 1 343.515 3.227 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001698587296 1406204963 /nfs/dbraw/zinc/20/49/63/1406204963.db2.gz VBEPLXBNNJHNPR-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001698587296 1406204965 /nfs/dbraw/zinc/20/49/65/1406204965.db2.gz VBEPLXBNNJHNPR-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001698587296 1406204969 /nfs/dbraw/zinc/20/49/69/1406204969.db2.gz VBEPLXBNNJHNPR-UFYCRDLUSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001732323458 1428532602 /nfs/dbraw/zinc/53/26/02/1428532602.db2.gz QLIKBZAOGDIBRA-FQEVSTJZSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001699605361 1412969323 /nfs/dbraw/zinc/96/93/23/1412969323.db2.gz NRICAYRVTPRSPG-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001700011069 1413453341 /nfs/dbraw/zinc/45/33/41/1413453341.db2.gz GJEXDFUBNSJHLE-FHWLQOOXSA-N 2 1 337.552 3.362 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001700199465 1413642165 /nfs/dbraw/zinc/64/21/65/1413642165.db2.gz WIVLMFXYIMUVLD-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199465 1413642167 /nfs/dbraw/zinc/64/21/67/1413642167.db2.gz WIVLMFXYIMUVLD-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001700199465 1413642169 /nfs/dbraw/zinc/64/21/69/1413642169.db2.gz WIVLMFXYIMUVLD-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204388 1413650331 /nfs/dbraw/zinc/65/03/31/1413650331.db2.gz XFCNWZSQBFFCAQ-MJGOQNOKSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700204388 1413650334 /nfs/dbraw/zinc/65/03/34/1413650334.db2.gz XFCNWZSQBFFCAQ-MJGOQNOKSA-N 2 1 346.519 3.297 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313024 1413767362 /nfs/dbraw/zinc/76/73/62/1413767362.db2.gz FASISSXLIOFYMX-ROUUACIJSA-N 2 1 337.552 3.410 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466279 1414073902 /nfs/dbraw/zinc/07/39/02/1414073902.db2.gz LITPVGQIUIXMRB-CABCVRRESA-N 2 1 328.460 3.048 10 30 EGEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001700712069 1414368827 /nfs/dbraw/zinc/36/88/27/1414368827.db2.gz HFLLRFAODCXVGG-UXHICEINSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001732792517 1428973449 /nfs/dbraw/zinc/97/34/49/1428973449.db2.gz ZFLQOEQLEOXBLT-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037034 1429162501 /nfs/dbraw/zinc/16/25/01/1429162501.db2.gz CGKASUWPJOXIST-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733037034 1429162504 /nfs/dbraw/zinc/16/25/04/1429162504.db2.gz CGKASUWPJOXIST-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001733037034 1429162506 /nfs/dbraw/zinc/16/25/06/1429162506.db2.gz CGKASUWPJOXIST-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713394950 1418010311 /nfs/dbraw/zinc/01/03/11/1418010311.db2.gz ZCDPZAROBDVQQD-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713786816 1418603269 /nfs/dbraw/zinc/60/32/69/1418603269.db2.gz ZFMIIBHXZRMKJP-GOSISDBHSA-N 2 1 337.552 3.412 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714085052 1418878725 /nfs/dbraw/zinc/87/87/25/1418878725.db2.gz OGLNKUKNOSNYNT-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001714307530 1419087919 /nfs/dbraw/zinc/08/79/19/1419087919.db2.gz IBPDFCGDFIHNEG-BZSNNMDCSA-N 2 1 337.552 3.336 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001714365418 1419125312 /nfs/dbraw/zinc/12/53/12/1419125312.db2.gz GKIYVCAFQYOWQF-GOSISDBHSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714525332 1419251816 /nfs/dbraw/zinc/25/18/16/1419251816.db2.gz VKVOPJGSPUQAQN-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714525332 1419251820 /nfs/dbraw/zinc/25/18/20/1419251820.db2.gz VKVOPJGSPUQAQN-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714525332 1419251822 /nfs/dbraw/zinc/25/18/22/1419251822.db2.gz VKVOPJGSPUQAQN-GBESFXJTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001715179252 1419914243 /nfs/dbraw/zinc/91/42/43/1419914243.db2.gz XUWPIBCLLQOUNG-IBGZPJMESA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001715181959 1419916144 /nfs/dbraw/zinc/91/61/44/1419916144.db2.gz GGLPEMSWSCMGEI-UAFMIMERSA-N 2 1 349.563 3.479 10 30 EGEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715437995 1420123422 /nfs/dbraw/zinc/12/34/22/1420123422.db2.gz SCGZLMNNGSKOMC-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001715443029 1420128134 /nfs/dbraw/zinc/12/81/34/1420128134.db2.gz GQWWEURFUFBERE-PMACEKPBSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715485712 1420166596 /nfs/dbraw/zinc/16/65/96/1420166596.db2.gz YHIUYHIUKNUHCJ-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001716053725 1420518383 /nfs/dbraw/zinc/51/83/83/1420518383.db2.gz LLAKYNSBSDUFHX-OALUTQOASA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001716053725 1420518385 /nfs/dbraw/zinc/51/83/85/1420518385.db2.gz LLAKYNSBSDUFHX-OALUTQOASA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001716053725 1420518389 /nfs/dbraw/zinc/51/83/89/1420518389.db2.gz LLAKYNSBSDUFHX-OALUTQOASA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001716713846 1420867923 /nfs/dbraw/zinc/86/79/23/1420867923.db2.gz ZGRJVQNLSSYBRD-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713846 1420867926 /nfs/dbraw/zinc/86/79/26/1420867926.db2.gz ZGRJVQNLSSYBRD-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713846 1420867928 /nfs/dbraw/zinc/86/79/28/1420867928.db2.gz ZGRJVQNLSSYBRD-LJQANCHMSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001716797418 1420930378 /nfs/dbraw/zinc/93/03/78/1420930378.db2.gz VOOXEPRGTTYGTE-BZSNNMDCSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001717311840 1421256154 /nfs/dbraw/zinc/25/61/54/1421256154.db2.gz JIEZOECBUCFIGS-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001717311840 1421256157 /nfs/dbraw/zinc/25/61/57/1421256157.db2.gz JIEZOECBUCFIGS-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001717454002 1421383301 /nfs/dbraw/zinc/38/33/01/1421383301.db2.gz LNZLPWDFSNHXIC-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717583052 1421509532 /nfs/dbraw/zinc/50/95/32/1421509532.db2.gz VNRZOKCRPFPASZ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583052 1421509533 /nfs/dbraw/zinc/50/95/33/1421509533.db2.gz VNRZOKCRPFPASZ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583052 1421509534 /nfs/dbraw/zinc/50/95/34/1421509534.db2.gz VNRZOKCRPFPASZ-GOSISDBHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630067 1421539143 /nfs/dbraw/zinc/53/91/43/1421539143.db2.gz CLHLRNVHXZAAEQ-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001717630067 1421539146 /nfs/dbraw/zinc/53/91/46/1421539146.db2.gz CLHLRNVHXZAAEQ-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717669037 1421558757 /nfs/dbraw/zinc/55/87/57/1421558757.db2.gz NQAMLTRBDHYSHU-ROUUACIJSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733419160 1429624200 /nfs/dbraw/zinc/62/42/00/1429624200.db2.gz TYBXEXVLTNWJBI-NRFANRHFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001723640321 1424506488 /nfs/dbraw/zinc/50/64/88/1424506488.db2.gz MSCIIYCBBYUQGZ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001723640321 1424506491 /nfs/dbraw/zinc/50/64/91/1424506491.db2.gz MSCIIYCBBYUQGZ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001723640321 1424506494 /nfs/dbraw/zinc/50/64/94/1424506494.db2.gz MSCIIYCBBYUQGZ-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723718486 1424544617 /nfs/dbraw/zinc/54/46/17/1424544617.db2.gz KQSLYFIQLVTFNU-FQEVSTJZSA-N 2 1 349.563 3.366 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724324487 1424813234 /nfs/dbraw/zinc/81/32/34/1424813234.db2.gz QMWQWXNJMDMJSW-HXUWFJFHSA-N 2 1 347.547 3.047 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330364 1424824100 /nfs/dbraw/zinc/82/41/00/1424824100.db2.gz NXBDDFAWQIEMSK-WIYYLYMNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001724334191 1424827925 /nfs/dbraw/zinc/82/79/25/1424827925.db2.gz SZQBHTFYBCVJBN-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334191 1424827928 /nfs/dbraw/zinc/82/79/28/1424827928.db2.gz SZQBHTFYBCVJBN-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724334191 1424827935 /nfs/dbraw/zinc/82/79/35/1424827935.db2.gz SZQBHTFYBCVJBN-FQEVSTJZSA-N 2 1 337.552 3.149 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657577 1425025124 /nfs/dbraw/zinc/02/51/24/1425025124.db2.gz ZPLWOZIHTINDEW-WTGUMLROSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001724657577 1425025128 /nfs/dbraw/zinc/02/51/28/1425025128.db2.gz ZPLWOZIHTINDEW-WTGUMLROSA-N 2 1 349.563 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001724657577 1425025136 /nfs/dbraw/zinc/02/51/36/1425025136.db2.gz ZPLWOZIHTINDEW-WTGUMLROSA-N 2 1 349.563 3.362 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001733569038 1429772293 /nfs/dbraw/zinc/77/22/93/1429772293.db2.gz ARCCKGAEDYZFBX-MUGJNUQGSA-N 2 1 347.547 3.092 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001724745462 1425114275 /nfs/dbraw/zinc/11/42/75/1425114275.db2.gz IUUCFNOKFHPZPI-PXNSSMCTSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418311 1427392203 /nfs/dbraw/zinc/39/22/03/1427392203.db2.gz VIAVPHPRUXOVOQ-RBUKOAKNSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001731542141 1427552939 /nfs/dbraw/zinc/55/29/39/1427552939.db2.gz DXRWZPBJHLQIHO-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731542141 1427552944 /nfs/dbraw/zinc/55/29/44/1427552944.db2.gz DXRWZPBJHLQIHO-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731542141 1427552946 /nfs/dbraw/zinc/55/29/46/1427552946.db2.gz DXRWZPBJHLQIHO-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598365 1429798217 /nfs/dbraw/zinc/79/82/17/1429798217.db2.gz LBKPSIUKEPPZFD-OALUTQOASA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733689236 1429905713 /nfs/dbraw/zinc/90/57/13/1429905713.db2.gz LEBKQNJSVCULFN-UFYCRDLUSA-N 2 1 349.563 3.339 10 30 EGEEMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001733783059 1430050620 /nfs/dbraw/zinc/05/06/20/1430050620.db2.gz VSRWUKKXXWRJPL-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783059 1430050627 /nfs/dbraw/zinc/05/06/27/1430050627.db2.gz VSRWUKKXXWRJPL-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001733783059 1430050631 /nfs/dbraw/zinc/05/06/31/1430050631.db2.gz VSRWUKKXXWRJPL-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC001733875067 1437701303 /nfs/dbraw/zinc/70/13/03/1437701303.db2.gz HDLIISQMDOYPMF-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875067 1437701304 /nfs/dbraw/zinc/70/13/04/1437701304.db2.gz HDLIISQMDOYPMF-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875067 1437701311 /nfs/dbraw/zinc/70/13/11/1437701311.db2.gz HDLIISQMDOYPMF-RBUKOAKNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734099548 1437883763 /nfs/dbraw/zinc/88/37/63/1437883763.db2.gz LZHPOGZJQYPTJP-MSOLQXFVSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734099548 1437883764 /nfs/dbraw/zinc/88/37/64/1437883764.db2.gz LZHPOGZJQYPTJP-MSOLQXFVSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734105428 1437891713 /nfs/dbraw/zinc/89/17/13/1437891713.db2.gz FRPOELMLFFWDRL-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc(C#N)n1C ZINC000058017683 454160657 /nfs/dbraw/zinc/16/06/57/454160657.db2.gz CREKULBVZUKEKZ-UHFFFAOYSA-N 2 1 336.483 3.268 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000552316958 458891523 /nfs/dbraw/zinc/89/15/23/458891523.db2.gz VVNKCXAZTLUTPA-UHFFFAOYSA-N 2 1 328.504 3.200 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000552316958 458891530 /nfs/dbraw/zinc/89/15/30/458891530.db2.gz VVNKCXAZTLUTPA-UHFFFAOYSA-N 2 1 328.504 3.200 10 30 EGEEMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000568888765 459361561 /nfs/dbraw/zinc/36/15/61/459361561.db2.gz CQJQXEJGIMGRIE-UHFFFAOYSA-N 2 1 330.432 3.019 10 30 EGEEMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595892745 459478672 /nfs/dbraw/zinc/47/86/72/459478672.db2.gz LQQSDMYMBPYFAM-LALPHHSUSA-N 2 1 325.378 3.382 10 30 EGEEMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595892745 459478677 /nfs/dbraw/zinc/47/86/77/459478677.db2.gz LQQSDMYMBPYFAM-LALPHHSUSA-N 2 1 325.378 3.382 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876720046 1298939222 /nfs/dbraw/zinc/93/92/22/1298939222.db2.gz ZQRALMYVAOILCC-KBXCAEBGSA-N 2 1 349.906 3.005 10 30 EGEEMP C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222382 1328714612 /nfs/dbraw/zinc/71/46/12/1328714612.db2.gz UFCSYYNSBYEINU-LPHOPBHVSA-N 2 1 327.472 3.474 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973094 1331282094 /nfs/dbraw/zinc/28/20/94/1331282094.db2.gz RPEZREZYSABICL-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973094 1331282099 /nfs/dbraw/zinc/28/20/99/1331282099.db2.gz RPEZREZYSABICL-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973094 1331282100 /nfs/dbraw/zinc/28/21/00/1331282100.db2.gz RPEZREZYSABICL-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871177 1387483541 /nfs/dbraw/zinc/48/35/41/1387483541.db2.gz ARYIOGYXIVIWHP-FPOVZHCZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566653 1388241630 /nfs/dbraw/zinc/24/16/30/1388241630.db2.gz MOZLCUISNPVJKT-WTGUMLROSA-N 2 1 349.563 3.480 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001265650674 1377158709 /nfs/dbraw/zinc/15/87/09/1377158709.db2.gz CGINJKDBIZBHFR-LJQANCHMSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001269855767 1377583374 /nfs/dbraw/zinc/58/33/74/1377583374.db2.gz LMUIPQQJRDDEIT-GOSISDBHSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812360 1378623600 /nfs/dbraw/zinc/62/36/00/1378623600.db2.gz UOCCMBRJOWTLNI-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001282812360 1378623601 /nfs/dbraw/zinc/62/36/01/1378623601.db2.gz UOCCMBRJOWTLNI-IRXDYDNUSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127491 1379503986 /nfs/dbraw/zinc/50/39/86/1379503986.db2.gz BKPPJJCGPAIURR-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001284127491 1379503989 /nfs/dbraw/zinc/50/39/89/1379503989.db2.gz BKPPJJCGPAIURR-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001284127491 1379503993 /nfs/dbraw/zinc/50/39/93/1379503993.db2.gz BKPPJJCGPAIURR-SJLPKXTDSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553636 1379961195 /nfs/dbraw/zinc/96/11/95/1379961195.db2.gz RFDIMBBOWQJXDZ-OALUTQOASA-N 2 1 337.552 3.242 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001328283768 1388714629 /nfs/dbraw/zinc/71/46/29/1388714629.db2.gz MFQSMNRXHYLKOG-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001328283768 1388714636 /nfs/dbraw/zinc/71/46/36/1388714636.db2.gz MFQSMNRXHYLKOG-FUHWJXTLSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ccc1OC ZINC001308552759 1384132467 /nfs/dbraw/zinc/13/24/67/1384132467.db2.gz GGTZBDUTPRTVQF-FGTMMUONSA-N 2 1 330.472 3.080 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001316742703 1384556006 /nfs/dbraw/zinc/55/60/06/1384556006.db2.gz SWPRXPMIUSCJRT-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001316742703 1384556007 /nfs/dbraw/zinc/55/60/07/1384556007.db2.gz SWPRXPMIUSCJRT-XUVXKRRUSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001316809899 1384606394 /nfs/dbraw/zinc/60/63/94/1384606394.db2.gz DZCHUBYINSXVOL-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001316809899 1384606396 /nfs/dbraw/zinc/60/63/96/1384606396.db2.gz DZCHUBYINSXVOL-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001316809899 1384606404 /nfs/dbraw/zinc/60/64/04/1384606404.db2.gz DZCHUBYINSXVOL-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317209607 1384988323 /nfs/dbraw/zinc/98/83/23/1384988323.db2.gz SYPHIZFTQYQYFS-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209607 1384988324 /nfs/dbraw/zinc/98/83/24/1384988324.db2.gz SYPHIZFTQYQYFS-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317209607 1384988325 /nfs/dbraw/zinc/98/83/25/1384988325.db2.gz SYPHIZFTQYQYFS-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317210367 1384989086 /nfs/dbraw/zinc/98/90/86/1384989086.db2.gz XPRPAJXERGHECD-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210367 1384989090 /nfs/dbraw/zinc/98/90/90/1384989090.db2.gz XPRPAJXERGHECD-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210367 1384989092 /nfs/dbraw/zinc/98/90/92/1384989092.db2.gz XPRPAJXERGHECD-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317429643 1385134392 /nfs/dbraw/zinc/13/43/92/1385134392.db2.gz WULSJRGVZIJWKE-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317429643 1385134393 /nfs/dbraw/zinc/13/43/93/1385134393.db2.gz WULSJRGVZIJWKE-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317429643 1385134394 /nfs/dbraw/zinc/13/43/94/1385134394.db2.gz WULSJRGVZIJWKE-IBGZPJMESA-N 2 1 347.547 3.024 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317854467 1385538636 /nfs/dbraw/zinc/53/86/36/1385538636.db2.gz QVWXGJAPVOIIEK-IBGZPJMESA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317883188 1385561180 /nfs/dbraw/zinc/56/11/80/1385561180.db2.gz XTMWOONSGFYTOT-IEBWSBKVSA-N 2 1 337.552 3.098 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001318403292 1385674116 /nfs/dbraw/zinc/67/41/16/1385674116.db2.gz QTSURDGKTGEJRW-MOPGFXCFSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001318403292 1385674118 /nfs/dbraw/zinc/67/41/18/1385674118.db2.gz QTSURDGKTGEJRW-MOPGFXCFSA-N 2 1 337.552 3.362 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001318403292 1385674120 /nfs/dbraw/zinc/67/41/20/1385674120.db2.gz QTSURDGKTGEJRW-MOPGFXCFSA-N 2 1 337.552 3.362 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001319085194 1385956028 /nfs/dbraw/zinc/95/60/28/1385956028.db2.gz MBOUCBJDXRUBNB-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638418 1386013120 /nfs/dbraw/zinc/01/31/20/1386013120.db2.gz YUKFIQJRBSXDOJ-WIYYLYMNSA-N 2 1 327.516 3.268 10 30 EGEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001319459726 1386130836 /nfs/dbraw/zinc/13/08/36/1386130836.db2.gz BMVJUZWPZPJOAC-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001322231653 1387112580 /nfs/dbraw/zinc/11/25/80/1387112580.db2.gz UHITXLBILACEBN-HKUYNNGSSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322231653 1387112581 /nfs/dbraw/zinc/11/25/81/1387112581.db2.gz UHITXLBILACEBN-HKUYNNGSSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001322231653 1387112585 /nfs/dbraw/zinc/11/25/85/1387112585.db2.gz UHITXLBILACEBN-HKUYNNGSSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479692919 1392323733 /nfs/dbraw/zinc/32/37/33/1392323733.db2.gz SLGFTKQZYCZFBR-SFHVURJKSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189860 1392619056 /nfs/dbraw/zinc/61/90/56/1392619056.db2.gz TUVCNVYVKMBJJY-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480258920 1392642933 /nfs/dbraw/zinc/64/29/33/1392642933.db2.gz XAXCMDPXWZHUKV-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480727526 1392888845 /nfs/dbraw/zinc/88/88/45/1392888845.db2.gz XXSLMWDXRVTEHH-KRWDZBQOSA-N 2 1 349.544 3.312 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001490419367 1394220917 /nfs/dbraw/zinc/22/09/17/1394220917.db2.gz AIRMPDYKLCVLKU-KRWDZBQOSA-N 2 1 346.519 3.249 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001491360266 1394512102 /nfs/dbraw/zinc/51/21/02/1394512102.db2.gz DKNBQKKHKCAGRD-VIQWUECVSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482005453 1394665608 /nfs/dbraw/zinc/66/56/08/1394665608.db2.gz OVMCBLITCAMSKF-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001482070920 1394733564 /nfs/dbraw/zinc/73/35/64/1394733564.db2.gz YACDFEJLSUJSFW-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001482070920 1394733570 /nfs/dbraw/zinc/73/35/70/1394733570.db2.gz YACDFEJLSUJSFW-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001482070920 1394733571 /nfs/dbraw/zinc/73/35/71/1394733571.db2.gz YACDFEJLSUJSFW-OALUTQOASA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484059996 1395223438 /nfs/dbraw/zinc/22/34/38/1395223438.db2.gz CNSFOSIEZCKOSG-HXUWFJFHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001496349936 1396660128 /nfs/dbraw/zinc/66/01/28/1396660128.db2.gz GKXPIWAJJHXWIT-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001496349938 1396660331 /nfs/dbraw/zinc/66/03/31/1396660331.db2.gz GKXPIWAJJHXWIT-QUCCMNQESA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001689145623 1396945541 /nfs/dbraw/zinc/94/55/41/1396945541.db2.gz BVQOWIGNLYAMLA-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001689145623 1396945544 /nfs/dbraw/zinc/94/55/44/1396945544.db2.gz BVQOWIGNLYAMLA-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001689145623 1396945546 /nfs/dbraw/zinc/94/55/46/1396945546.db2.gz BVQOWIGNLYAMLA-MISYRCLQSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365414 1403704671 /nfs/dbraw/zinc/70/46/71/1403704671.db2.gz FVJLBJYVFKWHIK-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001690357726 1404492845 /nfs/dbraw/zinc/49/28/45/1404492845.db2.gz DMOKYPVQOSDBTQ-RDGPPVDQSA-N 2 1 335.536 3.211 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001691515498 1405314711 /nfs/dbraw/zinc/31/47/11/1405314711.db2.gz CWTVECOJBCNQFW-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692009168 1405727640 /nfs/dbraw/zinc/72/76/40/1405727640.db2.gz KYJXWXCMGLFOCF-QZTJIDSGSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001692074173 1405761075 /nfs/dbraw/zinc/76/10/75/1405761075.db2.gz DXYLAUYRJBMDOD-AOIWGVFYSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001692364662 1405974732 /nfs/dbraw/zinc/97/47/32/1405974732.db2.gz JECNOPUCVYQGHU-GBESFXJTSA-N 2 1 335.536 3.115 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001692364662 1405974734 /nfs/dbraw/zinc/97/47/34/1405974734.db2.gz JECNOPUCVYQGHU-GBESFXJTSA-N 2 1 335.536 3.115 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001692364662 1405974737 /nfs/dbraw/zinc/97/47/37/1405974737.db2.gz JECNOPUCVYQGHU-GBESFXJTSA-N 2 1 335.536 3.115 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698582455 1406194654 /nfs/dbraw/zinc/19/46/54/1406194654.db2.gz RFUHFGKTRGLZGT-WOJBJXKFSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049915 1428288675 /nfs/dbraw/zinc/28/86/75/1428288675.db2.gz BXUJMSCQAVMNCO-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732075986 1428327199 /nfs/dbraw/zinc/32/71/99/1428327199.db2.gz MLWHHCXXZADGMB-IBGZPJMESA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732163300 1428406266 /nfs/dbraw/zinc/40/62/66/1428406266.db2.gz QKQIVTULTNGVHA-LJQANCHMSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001732273382 1428509008 /nfs/dbraw/zinc/50/90/08/1428509008.db2.gz TWGLHCWYQHQUAB-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001699683076 1413078226 /nfs/dbraw/zinc/07/82/26/1413078226.db2.gz FFCHOJUCECPUOZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001699683076 1413078231 /nfs/dbraw/zinc/07/82/31/1413078231.db2.gz FFCHOJUCECPUOZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001699683076 1413078234 /nfs/dbraw/zinc/07/82/34/1413078234.db2.gz FFCHOJUCECPUOZ-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001732547180 1428723430 /nfs/dbraw/zinc/72/34/30/1428723430.db2.gz XJJWCBVAJOOGOO-HKUYNNGSSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001700094396 1413508642 /nfs/dbraw/zinc/50/86/42/1413508642.db2.gz JMSKYHTZYZTWLN-FXAWDEMLSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001732551122 1428734031 /nfs/dbraw/zinc/73/40/31/1428734031.db2.gz SDQSLBSSQAORMT-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037033 1429163152 /nfs/dbraw/zinc/16/31/52/1429163152.db2.gz CGKASUWPJOXIST-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733037033 1429163155 /nfs/dbraw/zinc/16/31/55/1429163155.db2.gz CGKASUWPJOXIST-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001733037033 1429163158 /nfs/dbraw/zinc/16/31/58/1429163158.db2.gz CGKASUWPJOXIST-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707240445 1417260657 /nfs/dbraw/zinc/26/06/57/1417260657.db2.gz UCVNNUXXBVWQQE-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713199360 1417770722 /nfs/dbraw/zinc/77/07/22/1417770722.db2.gz ANNRNHDNZMNRKZ-GNBUJSLZSA-N 2 1 347.547 3.375 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713442359 1418078612 /nfs/dbraw/zinc/07/86/12/1418078612.db2.gz NGAGGCRTKWFQLX-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713680437 1418432180 /nfs/dbraw/zinc/43/21/80/1418432180.db2.gz LLIDBGBZZGKKDM-ICSRJNTNSA-N 2 1 349.563 3.291 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899848 1418699361 /nfs/dbraw/zinc/69/93/61/1418699361.db2.gz KTQNUEAUHNRLLP-PMACEKPBSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047150 1418843262 /nfs/dbraw/zinc/84/32/62/1418843262.db2.gz SWXGJLWAIWQBSB-ZWKOTPCHSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714047150 1418843263 /nfs/dbraw/zinc/84/32/63/1418843263.db2.gz SWXGJLWAIWQBSB-ZWKOTPCHSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001714067783 1418863940 /nfs/dbraw/zinc/86/39/40/1418863940.db2.gz SFUZILRBZBVXEO-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001714521220 1419247479 /nfs/dbraw/zinc/24/74/79/1419247479.db2.gz LRYGXBDCPOJRRU-UHFFFAOYSA-N 2 1 346.519 3.086 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715037634 1419773087 /nfs/dbraw/zinc/77/30/87/1419773087.db2.gz DRHANOVHQDHCAC-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478390 1420693424 /nfs/dbraw/zinc/69/34/24/1420693424.db2.gz PZQFDCLGLMUSOU-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716478390 1420693427 /nfs/dbraw/zinc/69/34/27/1420693427.db2.gz PZQFDCLGLMUSOU-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716478390 1420693429 /nfs/dbraw/zinc/69/34/29/1420693429.db2.gz PZQFDCLGLMUSOU-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001716798517 1420931871 /nfs/dbraw/zinc/93/18/71/1420931871.db2.gz XBIGBJDQHAKPHP-QGZVFWFLSA-N 2 1 346.519 3.332 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001716830870 1420958352 /nfs/dbraw/zinc/95/83/52/1420958352.db2.gz YOVRKHGDIMVRFL-TZIWHRDSSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001716871856 1420999146 /nfs/dbraw/zinc/99/91/46/1420999146.db2.gz WZGHYJKQISOVHA-PZJWPPBQSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717123493 1421126066 /nfs/dbraw/zinc/12/60/66/1421126066.db2.gz YJCIYQNMSYHQCH-UJMXGEILSA-N 2 1 349.563 3.336 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717237472 1421205635 /nfs/dbraw/zinc/20/56/35/1421205635.db2.gz LYJQYQYPCAODBF-ZWKOTPCHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288777 1429465910 /nfs/dbraw/zinc/46/59/10/1429465910.db2.gz YRUNLSLGLWHVKP-AZUAARDMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717338945 1421276376 /nfs/dbraw/zinc/27/63/76/1421276376.db2.gz GKSGGTLFMXEJHW-FXAWDEMLSA-N 2 1 343.515 3.297 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717368840 1421305992 /nfs/dbraw/zinc/30/59/92/1421305992.db2.gz GKZWCEXYTRAAML-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717537323 1421475588 /nfs/dbraw/zinc/47/55/88/1421475588.db2.gz BSLMWJJMTXPHSE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717537323 1421475590 /nfs/dbraw/zinc/47/55/90/1421475590.db2.gz BSLMWJJMTXPHSE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717537323 1421475592 /nfs/dbraw/zinc/47/55/92/1421475592.db2.gz BSLMWJJMTXPHSE-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001717838903 1421652643 /nfs/dbraw/zinc/65/26/43/1421652643.db2.gz YYQQPHCTQZESKX-ABSDTBQOSA-N 2 1 344.503 3.086 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001717838903 1421652645 /nfs/dbraw/zinc/65/26/45/1421652645.db2.gz YYQQPHCTQZESKX-ABSDTBQOSA-N 2 1 344.503 3.086 10 30 EGEEMP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717983435 1421755505 /nfs/dbraw/zinc/75/55/05/1421755505.db2.gz FPXHKJFBJNYOHU-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001733458099 1429678661 /nfs/dbraw/zinc/67/86/61/1429678661.db2.gz CCOAVDWOJNFLKK-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001733458099 1429678662 /nfs/dbraw/zinc/67/86/62/1429678662.db2.gz CCOAVDWOJNFLKK-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001733458099 1429678663 /nfs/dbraw/zinc/67/86/63/1429678663.db2.gz CCOAVDWOJNFLKK-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1CC ZINC001733518431 1429728024 /nfs/dbraw/zinc/72/80/24/1429728024.db2.gz NNNPPGZHVGUMED-VQTJNVASSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001723632078 1424499026 /nfs/dbraw/zinc/49/90/26/1424499026.db2.gz FIDQDVZYYHKPNR-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001723632078 1424499029 /nfs/dbraw/zinc/49/90/29/1424499029.db2.gz FIDQDVZYYHKPNR-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001723691803 1424532106 /nfs/dbraw/zinc/53/21/06/1424532106.db2.gz RXFOHOGVUSQINK-PZJWPPBQSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001723691803 1424532111 /nfs/dbraw/zinc/53/21/11/1424532111.db2.gz RXFOHOGVUSQINK-PZJWPPBQSA-N 2 1 349.563 3.223 10 30 EGEEMP CCCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001723691803 1424532115 /nfs/dbraw/zinc/53/21/15/1424532115.db2.gz RXFOHOGVUSQINK-PZJWPPBQSA-N 2 1 349.563 3.223 10 30 EGEEMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733564970 1429765528 /nfs/dbraw/zinc/76/55/28/1429765528.db2.gz CKDHYYWVIGMZQO-REPLKXPHSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001733564970 1429765532 /nfs/dbraw/zinc/76/55/32/1429765532.db2.gz CKDHYYWVIGMZQO-REPLKXPHSA-N 2 1 349.563 3.290 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001724652796 1425015731 /nfs/dbraw/zinc/01/57/31/1425015731.db2.gz TUEMIOJUQLLXLD-OALUTQOASA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001724652796 1425015736 /nfs/dbraw/zinc/01/57/36/1425015736.db2.gz TUEMIOJUQLLXLD-OALUTQOASA-N 2 1 346.519 3.227 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001725645276 1426326978 /nfs/dbraw/zinc/32/69/78/1426326978.db2.gz ZNVBWLRKTPCWDC-ICSRJNTNSA-N 2 1 344.503 3.051 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001725645276 1426326984 /nfs/dbraw/zinc/32/69/84/1426326984.db2.gz ZNVBWLRKTPCWDC-ICSRJNTNSA-N 2 1 344.503 3.051 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001731659915 1427712582 /nfs/dbraw/zinc/71/25/82/1427712582.db2.gz MPYPOLUORBMJQS-RTBURBONSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733607623 1429824336 /nfs/dbraw/zinc/82/43/36/1429824336.db2.gz TZOSJGUDXAWCTO-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607623 1429824347 /nfs/dbraw/zinc/82/43/47/1429824347.db2.gz TZOSJGUDXAWCTO-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733607623 1429824352 /nfs/dbraw/zinc/82/43/52/1429824352.db2.gz TZOSJGUDXAWCTO-VQTJNVASSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001733682847 1429896725 /nfs/dbraw/zinc/89/67/25/1429896725.db2.gz AHWDZTCIMBSIQP-ROUUACIJSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148053 1437915854 /nfs/dbraw/zinc/91/58/54/1437915854.db2.gz NZNWVRHBXXUPHN-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148053 1437915858 /nfs/dbraw/zinc/91/58/58/1437915858.db2.gz NZNWVRHBXXUPHN-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148053 1437915860 /nfs/dbraw/zinc/91/58/60/1437915860.db2.gz NZNWVRHBXXUPHN-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001734438250 1438100722 /nfs/dbraw/zinc/10/07/22/1438100722.db2.gz GABRGRFOKQYWEK-SVFBPWRDSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001734438250 1438100724 /nfs/dbraw/zinc/10/07/24/1438100724.db2.gz GABRGRFOKQYWEK-SVFBPWRDSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001734438250 1438100726 /nfs/dbraw/zinc/10/07/26/1438100726.db2.gz GABRGRFOKQYWEK-SVFBPWRDSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001734438249 1438101032 /nfs/dbraw/zinc/10/10/32/1438101032.db2.gz GABRGRFOKQYWEK-SFHLNBCPSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001734438249 1438101033 /nfs/dbraw/zinc/10/10/33/1438101033.db2.gz GABRGRFOKQYWEK-SFHLNBCPSA-N 2 1 349.563 3.412 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001734438249 1438101034 /nfs/dbraw/zinc/10/10/34/1438101034.db2.gz GABRGRFOKQYWEK-SFHLNBCPSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001734441392 1438103827 /nfs/dbraw/zinc/10/38/27/1438103827.db2.gz SMPHSMKLDLQTEL-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001734441392 1438103829 /nfs/dbraw/zinc/10/38/29/1438103829.db2.gz SMPHSMKLDLQTEL-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001734441392 1438103831 /nfs/dbraw/zinc/10/38/31/1438103831.db2.gz SMPHSMKLDLQTEL-SFHLNBCPSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946219 1440118991 /nfs/dbraw/zinc/11/89/91/1440118991.db2.gz YKIIYQNRGXVSKL-OALUTQOASA-N 2 1 349.563 3.290 10 30 EGEEMP Cc1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(C#N)n1C ZINC000048363585 454480172 /nfs/dbraw/zinc/48/01/72/454480172.db2.gz RSOULPNCTWPAKJ-UHFFFAOYSA-N 2 1 336.483 3.002 10 30 EGEEMP C=CCCC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265647538 455354911 /nfs/dbraw/zinc/35/49/11/455354911.db2.gz UGTINHSDIHCUOW-GOSISDBHSA-N 2 1 343.515 3.054 10 30 EGEEMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000595632647 459376055 /nfs/dbraw/zinc/37/60/55/459376055.db2.gz ICEPYXGDQDKEEZ-UHFFFAOYSA-N 2 1 349.478 3.415 10 30 EGEEMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747187 /nfs/dbraw/zinc/74/71/87/459747187.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 1 340.496 3.277 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481070 461729586 /nfs/dbraw/zinc/72/95/86/461729586.db2.gz ZXFHHHJMGOKRJA-ZWKOTPCHSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481070 461729593 /nfs/dbraw/zinc/72/95/93/461729593.db2.gz ZXFHHHJMGOKRJA-ZWKOTPCHSA-N 2 1 330.472 3.224 10 30 EGEEMP C=CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc([N+](=O)[O-])c1 ZINC000873204665 1297349220 /nfs/dbraw/zinc/34/92/20/1297349220.db2.gz GQVWTWXJEOJOLT-UHFFFAOYSA-N 2 1 343.452 3.490 10 30 EGEEMP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc([N+](=O)[O-])c1 ZINC000873204665 1297349236 /nfs/dbraw/zinc/34/92/36/1297349236.db2.gz GQVWTWXJEOJOLT-UHFFFAOYSA-N 2 1 343.452 3.490 10 30 EGEEMP C[N@H+](Cc1ccnc(C#N)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719915722 1298323238 /nfs/dbraw/zinc/32/32/38/1298323238.db2.gz DKNKHNFGAHRWKQ-UHFFFAOYSA-N 2 1 334.467 3.297 10 30 EGEEMP C=CCC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCO1 ZINC000883202417 1302301817 /nfs/dbraw/zinc/30/18/17/1302301817.db2.gz AIGJHQARLLCJON-RBUKOAKNSA-N 2 1 336.520 3.125 10 30 EGEEMP C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1c1cc[nH+]cc1 ZINC000895557147 1309400278 /nfs/dbraw/zinc/40/02/78/1309400278.db2.gz MYTYVFHVBUUXJV-QGZVFWFLSA-N 2 1 332.451 3.347 10 30 EGEEMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC000895556905 1309400613 /nfs/dbraw/zinc/40/06/13/1309400613.db2.gz MOYAHPKSQLEPRT-IRXDYDNUSA-N 2 1 336.439 3.083 10 30 EGEEMP CC[N@H+](Cc1cncc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000929754394 1328688668 /nfs/dbraw/zinc/68/86/68/1328688668.db2.gz GKQVIRXFWSJPJM-UHFFFAOYSA-N 2 1 335.455 3.087 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001323812364 1387463480 /nfs/dbraw/zinc/46/34/80/1387463480.db2.gz KSRYBQNETIBNRW-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323812364 1387463483 /nfs/dbraw/zinc/46/34/83/1387463483.db2.gz KSRYBQNETIBNRW-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323812364 1387463487 /nfs/dbraw/zinc/46/34/87/1387463487.db2.gz KSRYBQNETIBNRW-OAQYLSRUSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001323813253 1387465092 /nfs/dbraw/zinc/46/50/92/1387465092.db2.gz QEDVJXOJJGZZGF-NRFANRHFSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001324775050 1387768710 /nfs/dbraw/zinc/76/87/10/1387768710.db2.gz GXKJOVXNZNRXPU-CTNGQTDRSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001324891850 1387807627 /nfs/dbraw/zinc/80/76/27/1387807627.db2.gz FBJPZGTUZKBTEW-DLBZAZTESA-N 2 1 346.519 3.161 10 30 EGEEMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001324905383 1387814009 /nfs/dbraw/zinc/81/40/09/1387814009.db2.gz SRNNJIHSLRVQTN-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001325920212 1388084711 /nfs/dbraw/zinc/08/47/11/1388084711.db2.gz KQTCLUDZTMIZLI-AQNXPRMDSA-N 2 1 347.547 3.281 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001327298303 1388488955 /nfs/dbraw/zinc/48/89/55/1388488955.db2.gz FZDNLEGKPJGFDO-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298303 1388488961 /nfs/dbraw/zinc/48/89/61/1388488961.db2.gz FZDNLEGKPJGFDO-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001327298303 1388488966 /nfs/dbraw/zinc/48/89/66/1388488966.db2.gz FZDNLEGKPJGFDO-WOJBJXKFSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001273783002 1378111281 /nfs/dbraw/zinc/11/12/81/1378111281.db2.gz RWUGHDOTXITSGN-LJQANCHMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001283434007 1378925322 /nfs/dbraw/zinc/92/53/22/1378925322.db2.gz MUQHMRWHRHLFHL-WOJBJXKFSA-N 2 1 343.515 3.274 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001328294956 1388718418 /nfs/dbraw/zinc/71/84/18/1388718418.db2.gz PQNYYMAXFYOPIJ-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001328811337 1388877115 /nfs/dbraw/zinc/87/71/15/1388877115.db2.gz AURTWPYTQVRLSK-HXUWFJFHSA-N 2 1 349.563 3.245 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317035601 1384805279 /nfs/dbraw/zinc/80/52/79/1384805279.db2.gz NLZWYTIIKLKIOQ-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317035601 1384805281 /nfs/dbraw/zinc/80/52/81/1384805281.db2.gz NLZWYTIIKLKIOQ-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317035601 1384805283 /nfs/dbraw/zinc/80/52/83/1384805283.db2.gz NLZWYTIIKLKIOQ-MOPGFXCFSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317051587 1384827786 /nfs/dbraw/zinc/82/77/86/1384827786.db2.gz IPXPGQYVWAAELS-CEXWTWQISA-N 2 1 337.552 3.218 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317213594 1384993801 /nfs/dbraw/zinc/99/38/01/1384993801.db2.gz GIDVRSZIHLWRLK-RMMWZPCPSA-N 2 1 349.563 3.124 10 30 EGEEMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001175360905 1385265920 /nfs/dbraw/zinc/26/59/20/1385265920.db2.gz CCIRIQRSYAHNDN-OALUTQOASA-N 2 1 333.520 3.018 10 30 EGEEMP C=CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001318895609 1385872500 /nfs/dbraw/zinc/87/25/00/1385872500.db2.gz NVKUNHDCXMHIFL-UHFFFAOYSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001319390213 1386100332 /nfs/dbraw/zinc/10/03/32/1386100332.db2.gz WSVGHQWOYXSQTI-LJQANCHMSA-N 2 1 343.515 3.274 10 30 EGEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001698693415 1406337748 /nfs/dbraw/zinc/33/77/48/1406337748.db2.gz AEHLGRWALYQKIK-QGZVFWFLSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001698717384 1406361387 /nfs/dbraw/zinc/36/13/87/1406361387.db2.gz MGGDTVBMMLCOMT-UFYCRDLUSA-N 2 1 343.515 3.273 10 30 EGEEMP CCCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001332984792 1390229845 /nfs/dbraw/zinc/22/98/45/1390229845.db2.gz KOESZNLHVROIOT-HKUYNNGSSA-N 2 1 337.552 3.268 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001479725643 1392339476 /nfs/dbraw/zinc/33/94/76/1392339476.db2.gz RCNXQJKDIGPZHS-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001479725643 1392339480 /nfs/dbraw/zinc/33/94/80/1392339480.db2.gz RCNXQJKDIGPZHS-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001479725643 1392339482 /nfs/dbraw/zinc/33/94/82/1392339482.db2.gz RCNXQJKDIGPZHS-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001479725643 1392339484 /nfs/dbraw/zinc/33/94/84/1392339484.db2.gz RCNXQJKDIGPZHS-YZGWKJHDSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001698894506 1406626527 /nfs/dbraw/zinc/62/65/27/1406626527.db2.gz WVHFEIKFXVFQEW-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481986769 1394648897 /nfs/dbraw/zinc/64/88/97/1394648897.db2.gz WBVZYQKCFVDNHR-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827644 1395565875 /nfs/dbraw/zinc/56/58/75/1395565875.db2.gz RIMPAJUVJJPEGF-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001484981264 1395620935 /nfs/dbraw/zinc/62/09/35/1395620935.db2.gz NDSUJOUHMRGNAO-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585389 1396061910 /nfs/dbraw/zinc/06/19/10/1396061910.db2.gz LWWNVOMZTMAKQH-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493130883 1396336945 /nfs/dbraw/zinc/33/69/45/1396336945.db2.gz QZMTVXPGNZBHLE-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493130883 1396336946 /nfs/dbraw/zinc/33/69/46/1396336946.db2.gz QZMTVXPGNZBHLE-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001493130883 1396336947 /nfs/dbraw/zinc/33/69/47/1396336947.db2.gz QZMTVXPGNZBHLE-WOJBJXKFSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001493835593 1396343746 /nfs/dbraw/zinc/34/37/46/1396343746.db2.gz BMBCCTISAPFXRB-PKOBYXMFSA-N 2 1 335.536 3.044 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001494686386 1396489055 /nfs/dbraw/zinc/48/90/55/1396489055.db2.gz UNWMOKDTBFGKFI-UFYCRDLUSA-N 2 1 349.563 3.362 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001689365640 1403705968 /nfs/dbraw/zinc/70/59/68/1403705968.db2.gz JYHOGZIFVGAOLF-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690457948 1404586594 /nfs/dbraw/zinc/58/65/94/1404586594.db2.gz VNIJNTLHSHTLGO-HXUWFJFHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001691440206 1405270344 /nfs/dbraw/zinc/27/03/44/1405270344.db2.gz BLTJKUBMBWSIGP-GBESFXJTSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001691692903 1405427641 /nfs/dbraw/zinc/42/76/41/1405427641.db2.gz VNVOLRZEIJLZRF-XLIONFOSSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818617 1405533971 /nfs/dbraw/zinc/53/39/71/1405533971.db2.gz GQAUFSMYEVVSNC-SJLPKXTDSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818617 1405533975 /nfs/dbraw/zinc/53/39/75/1405533975.db2.gz GQAUFSMYEVVSNC-SJLPKXTDSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818618 1405534227 /nfs/dbraw/zinc/53/42/27/1405534227.db2.gz GQAUFSMYEVVSNC-WMZOPIPTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001691818618 1405534229 /nfs/dbraw/zinc/53/42/29/1405534229.db2.gz GQAUFSMYEVVSNC-WMZOPIPTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030611 1405747837 /nfs/dbraw/zinc/74/78/37/1405747837.db2.gz YMNGRQWVMBTRTL-HXUWFJFHSA-N 2 1 343.515 3.036 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030611 1405747842 /nfs/dbraw/zinc/74/78/42/1405747842.db2.gz YMNGRQWVMBTRTL-HXUWFJFHSA-N 2 1 343.515 3.036 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001692132271 1405789342 /nfs/dbraw/zinc/78/93/42/1405789342.db2.gz TXVLRVNICHJOHD-IBGZPJMESA-N 2 1 346.519 3.299 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138565 1405793918 /nfs/dbraw/zinc/79/39/18/1405793918.db2.gz BMCRUGKWUOZUID-NEWSRXKRSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138565 1405793920 /nfs/dbraw/zinc/79/39/20/1405793920.db2.gz BMCRUGKWUOZUID-NEWSRXKRSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001692138565 1405793924 /nfs/dbraw/zinc/79/39/24/1405793924.db2.gz BMCRUGKWUOZUID-NEWSRXKRSA-N 2 1 349.563 3.146 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698582452 1406195042 /nfs/dbraw/zinc/19/50/42/1406195042.db2.gz RFUHFGKTRGLZGT-VQTJNVASSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732109361 1428365011 /nfs/dbraw/zinc/36/50/11/1428365011.db2.gz VPRWUDBTZCEPPL-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732109361 1428365015 /nfs/dbraw/zinc/36/50/15/1428365015.db2.gz VPRWUDBTZCEPPL-HXUWFJFHSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001732289996 1428516311 /nfs/dbraw/zinc/51/63/11/1428516311.db2.gz ZGQCFZSQQTUBMM-UTKZUKDTSA-N 2 1 347.547 3.092 10 30 EGEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001699977717 1413421790 /nfs/dbraw/zinc/42/17/90/1413421790.db2.gz RXQLCZZHDOJTCY-IYWMVGAKSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090896 1413502634 /nfs/dbraw/zinc/50/26/34/1413502634.db2.gz NLHNPQJLQHQERA-PXNSSMCTSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700090896 1413502638 /nfs/dbraw/zinc/50/26/38/1413502638.db2.gz NLHNPQJLQHQERA-PXNSSMCTSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001700090896 1413502643 /nfs/dbraw/zinc/50/26/43/1413502643.db2.gz NLHNPQJLQHQERA-PXNSSMCTSA-N 2 1 343.515 3.184 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001700293991 1413752015 /nfs/dbraw/zinc/75/20/15/1413752015.db2.gz MGHZQTQJWKKDHW-SFHVURJKSA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001700320547 1413785255 /nfs/dbraw/zinc/78/52/55/1413785255.db2.gz OXKUJZIJJWYTHM-PXNSSMCTSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466282 1414073784 /nfs/dbraw/zinc/07/37/84/1414073784.db2.gz LITPVGQIUIXMRB-GJZGRUSLSA-N 2 1 328.460 3.048 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700530598 1414197573 /nfs/dbraw/zinc/19/75/73/1414197573.db2.gz FPDMBZBCSFVCSC-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700530598 1414197577 /nfs/dbraw/zinc/19/75/77/1414197577.db2.gz FPDMBZBCSFVCSC-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572163 1414242279 /nfs/dbraw/zinc/24/22/79/1414242279.db2.gz YGSXOUKRBBTRRH-KZNAEPCWSA-N 2 1 337.552 3.124 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572163 1414242281 /nfs/dbraw/zinc/24/22/81/1414242281.db2.gz YGSXOUKRBBTRRH-KZNAEPCWSA-N 2 1 337.552 3.124 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572163 1414242285 /nfs/dbraw/zinc/24/22/85/1414242285.db2.gz YGSXOUKRBBTRRH-KZNAEPCWSA-N 2 1 337.552 3.124 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575951 1414250302 /nfs/dbraw/zinc/25/03/02/1414250302.db2.gz LYSJDDZXDRKTOC-WMZOPIPTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001700575951 1414250304 /nfs/dbraw/zinc/25/03/04/1414250304.db2.gz LYSJDDZXDRKTOC-WMZOPIPTSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001713142699 1417725030 /nfs/dbraw/zinc/72/50/30/1417725030.db2.gz FALTVKWWFSCOSO-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001713142699 1417725032 /nfs/dbraw/zinc/72/50/32/1417725032.db2.gz FALTVKWWFSCOSO-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001713142699 1417725034 /nfs/dbraw/zinc/72/50/34/1417725034.db2.gz FALTVKWWFSCOSO-KDURUIRLSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713252307 1417845725 /nfs/dbraw/zinc/84/57/25/1417845725.db2.gz WCIIBPZQKWUVFA-PMACEKPBSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269433 1417878869 /nfs/dbraw/zinc/87/88/69/1417878869.db2.gz DFIGHALISVBODX-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713442356 1418078486 /nfs/dbraw/zinc/07/84/86/1418078486.db2.gz NGAGGCRTKWFQLX-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001713755146 1418558441 /nfs/dbraw/zinc/55/84/41/1418558441.db2.gz VWFAVAZLEGSQOG-UFYCRDLUSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713755146 1418558442 /nfs/dbraw/zinc/55/84/42/1418558442.db2.gz VWFAVAZLEGSQOG-UFYCRDLUSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001713755146 1418558443 /nfs/dbraw/zinc/55/84/43/1418558443.db2.gz VWFAVAZLEGSQOG-UFYCRDLUSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713898514 1418697974 /nfs/dbraw/zinc/69/79/74/1418697974.db2.gz ZCRRHKBMWARLCR-GOSISDBHSA-N 2 1 337.552 3.101 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713898514 1418697977 /nfs/dbraw/zinc/69/79/77/1418697977.db2.gz ZCRRHKBMWARLCR-GOSISDBHSA-N 2 1 337.552 3.101 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713898514 1418697979 /nfs/dbraw/zinc/69/79/79/1418697979.db2.gz ZCRRHKBMWARLCR-GOSISDBHSA-N 2 1 337.552 3.101 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001714025875 1418811088 /nfs/dbraw/zinc/81/10/88/1418811088.db2.gz UVDRUWKWAWHQQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714025875 1418811090 /nfs/dbraw/zinc/81/10/90/1418811090.db2.gz UVDRUWKWAWHQQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714025875 1418811091 /nfs/dbraw/zinc/81/10/91/1418811091.db2.gz UVDRUWKWAWHQQU-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001714182931 1418990803 /nfs/dbraw/zinc/99/08/03/1418990803.db2.gz CLFBXVBQPPTWNO-XLIONFOSSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001714803904 1419517393 /nfs/dbraw/zinc/51/73/93/1419517393.db2.gz DPQLYBQIHYMSOG-IEBWSBKVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001715400821 1420099538 /nfs/dbraw/zinc/09/95/38/1420099538.db2.gz DWKMZAMHCIGIGK-VQTJNVASSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715403565 1420101977 /nfs/dbraw/zinc/10/19/77/1420101977.db2.gz ROGULYLZNWKZFT-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001716714022 1420868279 /nfs/dbraw/zinc/86/82/79/1420868279.db2.gz WHEZHOJGGDUART-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001716714022 1420868281 /nfs/dbraw/zinc/86/82/81/1420868281.db2.gz WHEZHOJGGDUART-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001716714022 1420868283 /nfs/dbraw/zinc/86/82/83/1420868283.db2.gz WHEZHOJGGDUART-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001716725026 1420883242 /nfs/dbraw/zinc/88/32/42/1420883242.db2.gz QXGMLWWEFBJCBQ-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716725026 1420883243 /nfs/dbraw/zinc/88/32/43/1420883243.db2.gz QXGMLWWEFBJCBQ-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001716725026 1420883244 /nfs/dbraw/zinc/88/32/44/1420883244.db2.gz QXGMLWWEFBJCBQ-OAQYLSRUSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717034896 1421088586 /nfs/dbraw/zinc/08/85/86/1421088586.db2.gz CUCHBQWUEBRFKN-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717034896 1421088589 /nfs/dbraw/zinc/08/85/89/1421088589.db2.gz CUCHBQWUEBRFKN-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001717034896 1421088591 /nfs/dbraw/zinc/08/85/91/1421088591.db2.gz CUCHBQWUEBRFKN-SLFFLAALSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036387 1421090558 /nfs/dbraw/zinc/09/05/58/1421090558.db2.gz DIXGWUJHMDCOIH-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001717036387 1421090559 /nfs/dbraw/zinc/09/05/59/1421090559.db2.gz DIXGWUJHMDCOIH-MOPGFXCFSA-N 2 1 344.503 3.003 10 30 EGEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001717116502 1421120995 /nfs/dbraw/zinc/12/09/95/1421120995.db2.gz KPOMKFGKHTVFQT-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001717116502 1421120996 /nfs/dbraw/zinc/12/09/96/1421120996.db2.gz KPOMKFGKHTVFQT-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001717116502 1421120998 /nfs/dbraw/zinc/12/09/98/1421120998.db2.gz KPOMKFGKHTVFQT-HXUWFJFHSA-N 2 1 343.515 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001717128021 1421129306 /nfs/dbraw/zinc/12/93/06/1421129306.db2.gz LQTHDADXLPTJFI-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717201652 1421169546 /nfs/dbraw/zinc/16/95/46/1421169546.db2.gz ZYYVVJASKZNDLW-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201652 1421169547 /nfs/dbraw/zinc/16/95/47/1421169547.db2.gz ZYYVVJASKZNDLW-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201652 1421169549 /nfs/dbraw/zinc/16/95/49/1421169549.db2.gz ZYYVVJASKZNDLW-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339274 1421277387 /nfs/dbraw/zinc/27/73/87/1421277387.db2.gz SYEGBOUGCGNVOQ-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339274 1421277390 /nfs/dbraw/zinc/27/73/90/1421277390.db2.gz SYEGBOUGCGNVOQ-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339274 1421277393 /nfs/dbraw/zinc/27/73/93/1421277393.db2.gz SYEGBOUGCGNVOQ-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001717339274 1421277395 /nfs/dbraw/zinc/27/73/95/1421277395.db2.gz SYEGBOUGCGNVOQ-AZUAARDMSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836081 1421649603 /nfs/dbraw/zinc/64/96/03/1421649603.db2.gz GEECCQNRVGEYKQ-PZJWPPBQSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836081 1421649606 /nfs/dbraw/zinc/64/96/06/1421649606.db2.gz GEECCQNRVGEYKQ-PZJWPPBQSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836081 1421649608 /nfs/dbraw/zinc/64/96/08/1421649608.db2.gz GEECCQNRVGEYKQ-PZJWPPBQSA-N 2 1 347.547 3.330 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001717898802 1421695856 /nfs/dbraw/zinc/69/58/56/1421695856.db2.gz DKDFFSVWVYDYOO-ZWKOTPCHSA-N 2 1 337.552 3.268 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733424798 1429631867 /nfs/dbraw/zinc/63/18/67/1429631867.db2.gz FYZGUIJYOXXSRJ-RXVVDRJESA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343808 1424843438 /nfs/dbraw/zinc/84/34/38/1424843438.db2.gz OXHZGGWBIRTZFM-OAQYLSRUSA-N 2 1 343.515 3.156 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724754995 1425125757 /nfs/dbraw/zinc/12/57/57/1425125757.db2.gz VANWLZPSXRJRSA-WTGUMLROSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001724758021 1425128394 /nfs/dbraw/zinc/12/83/94/1425128394.db2.gz DNGMYLXQOPKBRP-IBGZPJMESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724959329 1425347839 /nfs/dbraw/zinc/34/78/39/1425347839.db2.gz JWLAFHMSBXXOQV-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001724999280 1425407062 /nfs/dbraw/zinc/40/70/62/1425407062.db2.gz CIZPMWAYCFDJOT-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731717809 1427782393 /nfs/dbraw/zinc/78/23/93/1427782393.db2.gz XSSCKJJRGDYWCF-SFHVURJKSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001733694144 1429911440 /nfs/dbraw/zinc/91/14/40/1429911440.db2.gz YBYFVVWYAAGODW-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001733717055 1429935857 /nfs/dbraw/zinc/93/58/57/1429935857.db2.gz VNOHPUQSPINOSG-SFHVURJKSA-N 2 1 347.547 3.236 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001733783016 1430050838 /nfs/dbraw/zinc/05/08/38/1430050838.db2.gz UWNPFHIQSVNDES-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783016 1430050844 /nfs/dbraw/zinc/05/08/44/1430050844.db2.gz UWNPFHIQSVNDES-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733783016 1430050850 /nfs/dbraw/zinc/05/08/50/1430050850.db2.gz UWNPFHIQSVNDES-UXHICEINSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001734105381 1437891140 /nfs/dbraw/zinc/89/11/40/1437891140.db2.gz DXBAZTKCBWXXPX-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001734105381 1437891141 /nfs/dbraw/zinc/89/11/41/1437891141.db2.gz DXBAZTKCBWXXPX-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001734105381 1437891142 /nfs/dbraw/zinc/89/11/42/1437891142.db2.gz DXBAZTKCBWXXPX-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734105384 1437891402 /nfs/dbraw/zinc/89/14/02/1437891402.db2.gz DXBAZTKCBWXXPX-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001734105384 1437891403 /nfs/dbraw/zinc/89/14/03/1437891403.db2.gz DXBAZTKCBWXXPX-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001734105384 1437891405 /nfs/dbraw/zinc/89/14/05/1437891405.db2.gz DXBAZTKCBWXXPX-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001734117231 1437898969 /nfs/dbraw/zinc/89/89/69/1437898969.db2.gz PXPMGOZQOIKWCI-SJORKVTESA-N 2 1 349.563 3.431 10 30 EGEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151278 1437919246 /nfs/dbraw/zinc/91/92/46/1437919246.db2.gz ZOVPDOMUGGMKOU-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001750946624 1440119118 /nfs/dbraw/zinc/11/91/18/1440119118.db2.gz INDQBDZQEMSDGW-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946624 1440119119 /nfs/dbraw/zinc/11/91/19/1440119119.db2.gz INDQBDZQEMSDGW-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750946624 1440119120 /nfs/dbraw/zinc/11/91/20/1440119120.db2.gz INDQBDZQEMSDGW-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](CCCC)C3)CC1 ZINC000066513173 215049532 /nfs/dbraw/zinc/04/95/32/215049532.db2.gz HVBGAUHKWJOXLQ-UHFFFAOYSA-N 2 1 339.483 3.086 10 30 EGEEMP C=CCC[C@H](O)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865992 455088189 /nfs/dbraw/zinc/08/81/89/455088189.db2.gz RYLGJGBRAHNLPF-IBGZPJMESA-N 2 1 346.519 3.101 10 30 EGEEMP C=CCC[C@H](O)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865992 455088193 /nfs/dbraw/zinc/08/81/93/455088193.db2.gz RYLGJGBRAHNLPF-IBGZPJMESA-N 2 1 346.519 3.101 10 30 EGEEMP CC(C)(C#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000598720383 460006294 /nfs/dbraw/zinc/00/62/94/460006294.db2.gz OUIXXFHNVWYKIO-NXEWRWPSSA-N 2 1 341.499 3.072 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480647 461726201 /nfs/dbraw/zinc/72/62/01/461726201.db2.gz WGBBHQJPAFUGCL-ZWKOTPCHSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480647 461726209 /nfs/dbraw/zinc/72/62/09/461726209.db2.gz WGBBHQJPAFUGCL-ZWKOTPCHSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000651758673 462326917 /nfs/dbraw/zinc/32/69/17/462326917.db2.gz JNAMPMMZTCNBEV-JRGCBEDISA-N 2 1 328.500 3.478 10 30 EGEEMP COc1ccc(CO[NH+]=C(N)CCC[NH+]2CCC(C)CC2)cc1F ZINC000170607422 1294374059 /nfs/dbraw/zinc/37/40/59/1294374059.db2.gz QWEHHKGMHATAPC-UHFFFAOYSA-N 2 1 337.439 3.135 10 30 EGEEMP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000883185751 1302292572 /nfs/dbraw/zinc/29/25/72/1302292572.db2.gz DIVFFMPJPCPZRI-NRFANRHFSA-N 2 1 329.532 3.181 10 30 EGEEMP C#CC[C@H]1CC[NH+](CC(C[N@@H+]2CC[C@H](CC#C)C2)c2ccccc2)C1 ZINC000886365271 1303449081 /nfs/dbraw/zinc/44/90/81/1303449081.db2.gz DXOAOCJIHVGUGE-SFTDATJTSA-N 2 1 334.507 3.461 10 30 EGEEMP C[C@@]12C[NH+](CCCSCC#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931216479 1329072544 /nfs/dbraw/zinc/07/25/44/1329072544.db2.gz HKMWKDVZXKHAGM-PMACEKPBSA-N 2 1 343.540 3.477 10 30 EGEEMP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925619090 1325232376 /nfs/dbraw/zinc/23/23/76/1325232376.db2.gz KWFHQAZGMHEMGD-NQYYFHDYSA-N 2 1 327.472 3.234 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743478 1331176195 /nfs/dbraw/zinc/17/61/95/1331176195.db2.gz ATGVJKHBOWMTKF-HKUYNNGSSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743478 1331176199 /nfs/dbraw/zinc/17/61/99/1331176199.db2.gz ATGVJKHBOWMTKF-HKUYNNGSSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743478 1331176201 /nfs/dbraw/zinc/17/62/01/1331176201.db2.gz ATGVJKHBOWMTKF-HKUYNNGSSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237424 1331402350 /nfs/dbraw/zinc/40/23/50/1331402350.db2.gz NETKHJXXRJEEDJ-IBGZPJMESA-N 2 1 343.515 3.155 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238147 1331402516 /nfs/dbraw/zinc/40/25/16/1331402516.db2.gz UGZWDQTZHFAHBV-IBGZPJMESA-N 2 1 343.515 3.155 10 30 EGEEMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001323733315 1387434325 /nfs/dbraw/zinc/43/43/25/1387434325.db2.gz FGHLMZDZIMAZAV-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001323733315 1387434326 /nfs/dbraw/zinc/43/43/26/1387434326.db2.gz FGHLMZDZIMAZAV-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001323733315 1387434332 /nfs/dbraw/zinc/43/43/32/1387434332.db2.gz FGHLMZDZIMAZAV-LJQANCHMSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001119988944 1371443479 /nfs/dbraw/zinc/44/34/79/1371443479.db2.gz MDMKGWCAKASLBR-FHWLQOOXSA-N 2 1 344.499 3.422 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001274434068 1378124581 /nfs/dbraw/zinc/12/45/81/1378124581.db2.gz ASIKDQRNKADDOZ-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001282648665 1378523798 /nfs/dbraw/zinc/52/37/98/1378523798.db2.gz ZBIYIWKLIFVMBT-QUCCMNQESA-N 2 1 347.547 3.071 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321970 1379711857 /nfs/dbraw/zinc/71/18/57/1379711857.db2.gz DXABLDVNVSNPIZ-IAGOWNOFSA-N 2 1 337.552 3.146 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001284619199 1380018616 /nfs/dbraw/zinc/01/86/16/1380018616.db2.gz QKXKQVOWIQHIDO-MOPGFXCFSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001328083521 1388666191 /nfs/dbraw/zinc/66/61/91/1388666191.db2.gz VMQCKCDUFGZEPD-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083521 1388666193 /nfs/dbraw/zinc/66/61/93/1388666193.db2.gz VMQCKCDUFGZEPD-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328083521 1388666196 /nfs/dbraw/zinc/66/61/96/1388666196.db2.gz VMQCKCDUFGZEPD-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307879325 1384049842 /nfs/dbraw/zinc/04/98/42/1384049842.db2.gz KCVQWIIQPDZDJW-JOCHJYFZSA-N 2 1 349.478 3.114 10 30 EGEEMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307879325 1384049849 /nfs/dbraw/zinc/04/98/49/1384049849.db2.gz KCVQWIIQPDZDJW-JOCHJYFZSA-N 2 1 349.478 3.114 10 30 EGEEMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ccc1OC ZINC001308552761 1384132656 /nfs/dbraw/zinc/13/26/56/1384132656.db2.gz GGTZBDUTPRTVQF-KZNAEPCWSA-N 2 1 330.472 3.080 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001316698740 1384528969 /nfs/dbraw/zinc/52/89/69/1384528969.db2.gz KCDXDCVLVXGCKA-SQNIBIBYSA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317131813 1384890833 /nfs/dbraw/zinc/89/08/33/1384890833.db2.gz NELKNAVEUIQORW-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001318976985 1385905885 /nfs/dbraw/zinc/90/58/85/1385905885.db2.gz TUJXTTXMQYVVKJ-FHWLQOOXSA-N 2 1 335.536 3.233 10 30 EGEEMP C=C(C)C[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2C)CCCC[C@H]1C ZINC001698661597 1406312147 /nfs/dbraw/zinc/31/21/47/1406312147.db2.gz JVZPIVZRHSWYHB-XLIONFOSSA-N 2 1 346.519 3.203 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244581 1389363226 /nfs/dbraw/zinc/36/32/26/1389363226.db2.gz NBHDLJMDSRHMKK-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001330244581 1389363233 /nfs/dbraw/zinc/36/32/33/1389363233.db2.gz NBHDLJMDSRHMKK-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001330244581 1389363237 /nfs/dbraw/zinc/36/32/37/1389363237.db2.gz NBHDLJMDSRHMKK-ROUUACIJSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1O ZINC001333840556 1390420417 /nfs/dbraw/zinc/42/04/17/1390420417.db2.gz HJQAPPSFZVVDCN-OTWHNJEPSA-N 2 1 344.499 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001479639175 1392301103 /nfs/dbraw/zinc/30/11/03/1392301103.db2.gz ORXMOVPQJCCEJS-RBUKOAKNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001479983811 1392517021 /nfs/dbraw/zinc/51/70/21/1392517021.db2.gz ZVPXKZKSNCUNNO-SFHVURJKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480267132 1392650922 /nfs/dbraw/zinc/65/09/22/1392650922.db2.gz GTNZICFJWNYPFL-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001480267132 1392650924 /nfs/dbraw/zinc/65/09/24/1392650924.db2.gz GTNZICFJWNYPFL-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001480267132 1392650926 /nfs/dbraw/zinc/65/09/26/1392650926.db2.gz GTNZICFJWNYPFL-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480384068 1392728710 /nfs/dbraw/zinc/72/87/10/1392728710.db2.gz USEHQAODGGJONR-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384068 1392728715 /nfs/dbraw/zinc/72/87/15/1392728715.db2.gz USEHQAODGGJONR-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001480384068 1392728717 /nfs/dbraw/zinc/72/87/17/1392728717.db2.gz USEHQAODGGJONR-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723372 1392885280 /nfs/dbraw/zinc/88/52/80/1392885280.db2.gz CDZVNRQDSLOSPV-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480723372 1392885287 /nfs/dbraw/zinc/88/52/87/1392885287.db2.gz CDZVNRQDSLOSPV-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480723372 1392885302 /nfs/dbraw/zinc/88/53/02/1392885302.db2.gz CDZVNRQDSLOSPV-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480785729 1392931614 /nfs/dbraw/zinc/93/16/14/1392931614.db2.gz HKUROGRQMFSBLJ-NVXWUHKLSA-N 2 1 341.927 3.020 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001698914216 1406647844 /nfs/dbraw/zinc/64/78/44/1406647844.db2.gz LCILEJGYLYUBTR-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481490596 1394335626 /nfs/dbraw/zinc/33/56/26/1394335626.db2.gz HSVTZQPJUMOUMH-QGZVFWFLSA-N 2 1 340.471 3.003 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132099 1394445317 /nfs/dbraw/zinc/44/53/17/1394445317.db2.gz BJBTZCPWYJZSNJ-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491132099 1394445321 /nfs/dbraw/zinc/44/53/21/1394445321.db2.gz BJBTZCPWYJZSNJ-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001491253508 1394492341 /nfs/dbraw/zinc/49/23/41/1394492341.db2.gz NXDCXBQBYFKJBC-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001483836744 1395104093 /nfs/dbraw/zinc/10/40/93/1395104093.db2.gz KJUFMVQQCLFOLF-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001485085477 1395656173 /nfs/dbraw/zinc/65/61/73/1395656173.db2.gz TYZVSUNUXGGVKD-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001485435719 1395903401 /nfs/dbraw/zinc/90/34/01/1395903401.db2.gz ZBMWAGYRNBBTQK-QUCCMNQESA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579876 1396053090 /nfs/dbraw/zinc/05/30/90/1396053090.db2.gz WLXRGEAOXWYTND-PKOBYXMFSA-N 2 1 349.563 3.288 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001502947654 1396234638 /nfs/dbraw/zinc/23/46/38/1396234638.db2.gz FPOUQJDLACOBAE-RBUKOAKNSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690216083 1404424188 /nfs/dbraw/zinc/42/41/88/1404424188.db2.gz IYASQYJRNOXIQX-ZRNYENFQSA-N 2 1 347.547 3.137 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690504164 1404616463 /nfs/dbraw/zinc/61/64/63/1404616463.db2.gz AHSYBFWWMRPDNI-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001690533977 1404624605 /nfs/dbraw/zinc/62/46/05/1404624605.db2.gz DLJLMEKRJJTQNH-WWDZGPRUSA-N 2 1 346.519 3.380 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690919103 1404829023 /nfs/dbraw/zinc/82/90/23/1404829023.db2.gz CQDSBGFVVKWWSM-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690919103 1404829027 /nfs/dbraw/zinc/82/90/27/1404829027.db2.gz CQDSBGFVVKWWSM-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001690919101 1404829963 /nfs/dbraw/zinc/82/99/63/1404829963.db2.gz CQDSBGFVVKWWSM-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001690919101 1404829968 /nfs/dbraw/zinc/82/99/68/1404829968.db2.gz CQDSBGFVVKWWSM-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001691681577 1405416667 /nfs/dbraw/zinc/41/66/67/1405416667.db2.gz BAKVPWQSPPDXTR-ICSRJNTNSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692076112 1405761813 /nfs/dbraw/zinc/76/18/13/1405761813.db2.gz AIFRSIIHXYROHJ-AQNXPRMDSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692076112 1405761820 /nfs/dbraw/zinc/76/18/20/1405761820.db2.gz AIFRSIIHXYROHJ-AQNXPRMDSA-N 2 1 349.563 3.079 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692076112 1405761826 /nfs/dbraw/zinc/76/18/26/1405761826.db2.gz AIFRSIIHXYROHJ-AQNXPRMDSA-N 2 1 349.563 3.079 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001692124769 1405785922 /nfs/dbraw/zinc/78/59/22/1405785922.db2.gz PPLFDGAZKZGUOM-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049913 1428288984 /nfs/dbraw/zinc/28/89/84/1428288984.db2.gz BXUJMSCQAVMNCO-RBUKOAKNSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001732289647 1428515969 /nfs/dbraw/zinc/51/59/69/1428515969.db2.gz ZZXQZPVHUXXVMQ-QUCCMNQESA-N 2 1 343.515 3.084 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001732312795 1428525008 /nfs/dbraw/zinc/52/50/08/1428525008.db2.gz JJTQLGREQRLEMH-MXVIHJGJSA-N 2 1 343.515 3.102 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001732312795 1428525009 /nfs/dbraw/zinc/52/50/09/1428525009.db2.gz JJTQLGREQRLEMH-MXVIHJGJSA-N 2 1 343.515 3.102 10 30 EGEEMP C=CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001699684902 1413081986 /nfs/dbraw/zinc/08/19/86/1413081986.db2.gz XCAGBRDNJZQFFG-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001699805629 1413220114 /nfs/dbraw/zinc/22/01/14/1413220114.db2.gz VUWDHUFUEMUOFV-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001700094397 1413508605 /nfs/dbraw/zinc/50/86/05/1413508605.db2.gz JMSKYHTZYZTWLN-PXNSSMCTSA-N 2 1 343.515 3.261 10 30 EGEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001700281749 1413726896 /nfs/dbraw/zinc/72/68/96/1413726896.db2.gz GWPMIEOLPGWSJD-IBGZPJMESA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001700281869 1413727473 /nfs/dbraw/zinc/72/74/73/1413727473.db2.gz IBDAHRLQHOABJW-UHFFFAOYSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001700314619 1413771414 /nfs/dbraw/zinc/77/14/14/1413771414.db2.gz VWOIVFWMMVRDFW-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700532614 1414199804 /nfs/dbraw/zinc/19/98/04/1414199804.db2.gz XANVWNIJVDUXGN-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001700989188 1414633021 /nfs/dbraw/zinc/63/30/21/1414633021.db2.gz XJPGYXRAQADOOC-ROUUACIJSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184996 1417760435 /nfs/dbraw/zinc/76/04/35/1417760435.db2.gz VLFQMBDSUDVMFP-WOJBJXKFSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713395011 1418010844 /nfs/dbraw/zinc/01/08/44/1418010844.db2.gz ZTSQHOFSOJWWDT-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713395011 1418010847 /nfs/dbraw/zinc/01/08/47/1418010847.db2.gz ZTSQHOFSOJWWDT-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713395011 1418010852 /nfs/dbraw/zinc/01/08/52/1418010852.db2.gz ZTSQHOFSOJWWDT-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001714813817 1419524875 /nfs/dbraw/zinc/52/48/75/1419524875.db2.gz IENRWAOZVRJWJP-FXAWDEMLSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001714832623 1419542759 /nfs/dbraw/zinc/54/27/59/1419542759.db2.gz LUXFEVKDYNMPSL-AHRSYUTCSA-N 2 1 343.515 3.083 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715249119 1419974951 /nfs/dbraw/zinc/97/49/51/1419974951.db2.gz TXAGJJLUFVYNCO-PKOBYXMFSA-N 2 1 335.536 3.092 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001715408238 1420105924 /nfs/dbraw/zinc/10/59/24/1420105924.db2.gz DQGKYRSLJCTBKP-IEBWSBKVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001715480224 1420158699 /nfs/dbraw/zinc/15/86/99/1420158699.db2.gz WTQPMRNXOQECCS-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001733268154 1429429022 /nfs/dbraw/zinc/42/90/22/1429429022.db2.gz HAIMEBKFYRQUTI-UXDRXVOSSA-N 2 1 344.503 3.048 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001716766171 1420911827 /nfs/dbraw/zinc/91/18/27/1420911827.db2.gz VAOYQTLSRYDNLB-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001716888053 1421011584 /nfs/dbraw/zinc/01/15/84/1421011584.db2.gz JUHSHZLDDVKMTR-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001716894024 1421020882 /nfs/dbraw/zinc/02/08/82/1421020882.db2.gz HUZNXVCVJZXXQG-HXUWFJFHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716896370 1421023698 /nfs/dbraw/zinc/02/36/98/1421023698.db2.gz UCFSMLRLXXNPOM-HXUWFJFHSA-N 2 1 347.547 3.047 10 30 EGEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001716999461 1421069321 /nfs/dbraw/zinc/06/93/21/1421069321.db2.gz DTIRWCRZMFVKQT-RDGPPVDQSA-N 2 1 335.536 3.042 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717036601 1421090565 /nfs/dbraw/zinc/09/05/65/1421090565.db2.gz GBBZHFWBWULJMQ-HSALFYBXSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717036601 1421090566 /nfs/dbraw/zinc/09/05/66/1421090566.db2.gz GBBZHFWBWULJMQ-HSALFYBXSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001717036601 1421090567 /nfs/dbraw/zinc/09/05/67/1421090567.db2.gz GBBZHFWBWULJMQ-HSALFYBXSA-N 2 1 349.563 3.364 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001717523737 1421459464 /nfs/dbraw/zinc/45/94/64/1421459464.db2.gz CSGKBQQJVQVSGD-SFHVURJKSA-N 2 1 335.536 3.236 10 30 EGEEMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583979 1421510805 /nfs/dbraw/zinc/51/08/05/1421510805.db2.gz OLMVQWLJPFNETH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583979 1421510807 /nfs/dbraw/zinc/51/08/07/1421510807.db2.gz OLMVQWLJPFNETH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583979 1421510808 /nfs/dbraw/zinc/51/08/08/1421510808.db2.gz OLMVQWLJPFNETH-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001717841558 1421656720 /nfs/dbraw/zinc/65/67/20/1421656720.db2.gz SWSFRPLCTUFUFN-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001717841558 1421656721 /nfs/dbraw/zinc/65/67/21/1421656721.db2.gz SWSFRPLCTUFUFN-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001717841558 1421656722 /nfs/dbraw/zinc/65/67/22/1421656722.db2.gz SWSFRPLCTUFUFN-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001717901490 1421697847 /nfs/dbraw/zinc/69/78/47/1421697847.db2.gz DDQSEXLUBQJADQ-SJLPKXTDSA-N 2 1 346.519 3.153 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733463739 1429693578 /nfs/dbraw/zinc/69/35/78/1429693578.db2.gz CRJOGJHYGDZDLP-QUCCMNQESA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001733513837 1429722340 /nfs/dbraw/zinc/72/23/40/1429722340.db2.gz OJPXGGIEGCWUBA-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001724754994 1425125556 /nfs/dbraw/zinc/12/55/56/1425125556.db2.gz VANWLZPSXRJRSA-UAFMIMERSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724754997 1425125591 /nfs/dbraw/zinc/12/55/91/1425125591.db2.gz VBMMWLWCNVTYSS-GUDVDZBRSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001724759199 1425129725 /nfs/dbraw/zinc/12/97/25/1425129725.db2.gz GJASROCLSCIMGW-GOSISDBHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724836230 1425183334 /nfs/dbraw/zinc/18/33/34/1425183334.db2.gz SIUCUBHVJLECFJ-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001724836230 1425183336 /nfs/dbraw/zinc/18/33/36/1425183336.db2.gz SIUCUBHVJLECFJ-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001724836230 1425183338 /nfs/dbraw/zinc/18/33/38/1425183338.db2.gz SIUCUBHVJLECFJ-GUDVDZBRSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965344 1425357310 /nfs/dbraw/zinc/35/73/10/1425357310.db2.gz HCKSEYKBHHLMLU-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965344 1425357315 /nfs/dbraw/zinc/35/73/15/1425357315.db2.gz HCKSEYKBHHLMLU-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965344 1425357319 /nfs/dbraw/zinc/35/73/19/1425357319.db2.gz HCKSEYKBHHLMLU-LJQANCHMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001725057797 1425496639 /nfs/dbraw/zinc/49/66/39/1425496639.db2.gz KKZHGFJXIUHQMJ-RTBURBONSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057797 1425496642 /nfs/dbraw/zinc/49/66/42/1425496642.db2.gz KKZHGFJXIUHQMJ-RTBURBONSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725057797 1425496646 /nfs/dbraw/zinc/49/66/46/1425496646.db2.gz KKZHGFJXIUHQMJ-RTBURBONSA-N 2 1 349.563 3.101 10 30 EGEEMP C=CC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC001725795565 1426480929 /nfs/dbraw/zinc/48/09/29/1426480929.db2.gz YHDSWIKPHKAJRL-UHFFFAOYSA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001731385181 1427329200 /nfs/dbraw/zinc/32/92/00/1427329200.db2.gz IRCNGJRQVUCYMH-SFHVURJKSA-N 2 1 346.519 3.133 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731526083 1427514676 /nfs/dbraw/zinc/51/46/76/1427514676.db2.gz LUILXJPQVPYRNN-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719657 1427787000 /nfs/dbraw/zinc/78/70/00/1427787000.db2.gz MFRHNEWDOVAPNA-RBUKOAKNSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733687606 1429903791 /nfs/dbraw/zinc/90/37/91/1429903791.db2.gz QTCDWZYVCCHLGK-VAMGGRTRSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001733836281 1430109240 /nfs/dbraw/zinc/10/92/40/1430109240.db2.gz QLIKMBXEWKUXSM-UHFFFAOYSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001733907204 1437725479 /nfs/dbraw/zinc/72/54/79/1437725479.db2.gz MDWHQCCKWAJRMF-FQEVSTJZSA-N 2 1 343.515 3.010 10 30 EGEEMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001734441391 1438103607 /nfs/dbraw/zinc/10/36/07/1438103607.db2.gz SMPHSMKLDLQTEL-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001734441391 1438103610 /nfs/dbraw/zinc/10/36/10/1438103610.db2.gz SMPHSMKLDLQTEL-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001734441391 1438103613 /nfs/dbraw/zinc/10/36/13/1438103613.db2.gz SMPHSMKLDLQTEL-QKNQBKEWSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001734447341 1438107809 /nfs/dbraw/zinc/10/78/09/1438107809.db2.gz ZKLTWZBYFXFRQD-IRFCIJBXSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001734587086 1438177094 /nfs/dbraw/zinc/17/70/94/1438177094.db2.gz GJZYEMCQYKZQOD-PXNSSMCTSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734605235 1438185249 /nfs/dbraw/zinc/18/52/49/1438185249.db2.gz YBSNUJJMDBQOLB-QZTJIDSGSA-N 2 1 347.547 3.044 10 30 EGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001772516009 1441416611 /nfs/dbraw/zinc/41/66/11/1441416611.db2.gz CVWPPCZAAITUSR-UHFFFAOYSA-N 2 1 341.524 3.429 10 30 EGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001772516009 1441416612 /nfs/dbraw/zinc/41/66/12/1441416612.db2.gz CVWPPCZAAITUSR-UHFFFAOYSA-N 2 1 341.524 3.429 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668333 252121270 /nfs/dbraw/zinc/12/12/70/252121270.db2.gz JTXLANGLJJZKTD-TZIWHRDSSA-N 2 1 341.499 3.180 10 30 EGEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000268668333 252121275 /nfs/dbraw/zinc/12/12/75/252121275.db2.gz JTXLANGLJJZKTD-TZIWHRDSSA-N 2 1 341.499 3.180 10 30 EGEEMP CCOCCC[N@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770361 458590179 /nfs/dbraw/zinc/59/01/79/458590179.db2.gz UOEMWDLNSJEMLS-PXNSSMCTSA-N 2 1 348.918 3.418 10 30 EGEEMP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492306706 459699559 /nfs/dbraw/zinc/69/95/59/459699559.db2.gz CKZQKOBUVXZGCB-WIYYLYMNSA-N 2 1 349.478 3.437 10 30 EGEEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1F ZINC000596653521 459715670 /nfs/dbraw/zinc/71/56/70/459715670.db2.gz UYTSUXYJBISFFY-OUBFZGACSA-N 2 1 345.462 3.342 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653013 459941177 /nfs/dbraw/zinc/94/11/77/459941177.db2.gz WDCIVMNZTJLQMF-UHFFFAOYSA-N 2 1 340.515 3.392 10 30 EGEEMP CN(c1ccccc1C[NH2+]CC1(C#N)CCCC1)C1CC[NH+](C)CC1 ZINC000593652935 459941613 /nfs/dbraw/zinc/94/16/13/459941613.db2.gz RFYXHWIDZLODPR-UHFFFAOYSA-N 2 1 340.515 3.391 10 30 EGEEMP CC(C)(C#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000598720386 460006229 /nfs/dbraw/zinc/00/62/29/460006229.db2.gz OUIXXFHNVWYKIO-RAFMOHDBSA-N 2 1 341.499 3.072 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895415479 1309328391 /nfs/dbraw/zinc/32/83/91/1309328391.db2.gz NCUFZXHVNGBRLU-WOZUAGRISA-N 2 1 326.484 3.058 10 30 EGEEMP C[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809288 1328706920 /nfs/dbraw/zinc/70/69/20/1328706920.db2.gz XJWDVSMVQAHKGQ-DYESRHJHSA-N 2 1 334.467 3.438 10 30 EGEEMP C=CCC[C@@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933545250 1329899015 /nfs/dbraw/zinc/89/90/15/1329899015.db2.gz DCOOKUNULOQOSW-HXUWFJFHSA-N 2 1 328.500 3.401 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747217 1331177808 /nfs/dbraw/zinc/17/78/08/1331177808.db2.gz IKWBLLHGSJSWKL-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940746109 1331178137 /nfs/dbraw/zinc/17/81/37/1331178137.db2.gz ZWNOFXOYAFEGTQ-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971827 1331280902 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JZQXRMOTSCWOJB-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075955 1331322351 /nfs/dbraw/zinc/32/23/51/1331322351.db2.gz RMIZAJFHXZNISD-OALUTQOASA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001323150171 1387303115 /nfs/dbraw/zinc/30/31/15/1387303115.db2.gz QAVMECPTANROHD-HKUYNNGSSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCCCCC1 ZINC001323721384 1387431623 /nfs/dbraw/zinc/43/16/23/1387431623.db2.gz FYGNWVYIFMGVIE-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CCCCCC1 ZINC001323721384 1387431629 /nfs/dbraw/zinc/43/16/29/1387431629.db2.gz FYGNWVYIFMGVIE-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CCCCCC1 ZINC001323721384 1387431635 /nfs/dbraw/zinc/43/16/35/1387431635.db2.gz FYGNWVYIFMGVIE-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944431 1387840904 /nfs/dbraw/zinc/84/09/04/1387840904.db2.gz QYTSZESZRYNSIC-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001324944431 1387840911 /nfs/dbraw/zinc/84/09/11/1387840911.db2.gz QYTSZESZRYNSIC-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324944431 1387840918 /nfs/dbraw/zinc/84/09/18/1387840918.db2.gz QYTSZESZRYNSIC-PXNSSMCTSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCc1cc(C[NH2+]CCCCn2cc[nH+]c2C)cc(OC)c1O ZINC001200715316 1369418410 /nfs/dbraw/zinc/41/84/10/1369418410.db2.gz XALCQLGVUHQRSJ-UHFFFAOYSA-N 2 1 329.444 3.204 10 30 EGEEMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001119988947 1371443844 /nfs/dbraw/zinc/44/38/44/1371443844.db2.gz MDMKGWCAKASLBR-OTWHNJEPSA-N 2 1 344.499 3.422 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001326566651 1388241837 /nfs/dbraw/zinc/24/18/37/1388241837.db2.gz MOZLCUISNPVJKT-UAFMIMERSA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127925 1388391810 /nfs/dbraw/zinc/39/18/10/1388391810.db2.gz ZBDSHEKWUOEDEB-VQTJNVASSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267180122 1377426234 /nfs/dbraw/zinc/42/62/34/1377426234.db2.gz WZXKMWGUBLSOJP-HXUWFJFHSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001327475734 1388530272 /nfs/dbraw/zinc/53/02/72/1388530272.db2.gz XTOCVJDKGDGGAO-UHFFFAOYSA-N 2 1 337.552 3.291 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279574759 1378312160 /nfs/dbraw/zinc/31/21/60/1378312160.db2.gz BCLBTLVSFMKHER-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574759 1378312165 /nfs/dbraw/zinc/31/21/65/1378312165.db2.gz BCLBTLVSFMKHER-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001279574759 1378312169 /nfs/dbraw/zinc/31/21/69/1378312169.db2.gz BCLBTLVSFMKHER-ZCNNSNEGSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001282715095 1378573966 /nfs/dbraw/zinc/57/39/66/1378573966.db2.gz OHNFDLNXKXVPPJ-ZWKOTPCHSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079291 1388662548 /nfs/dbraw/zinc/66/25/48/1388662548.db2.gz ABNSICZLSXLSCQ-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079291 1388662551 /nfs/dbraw/zinc/66/25/51/1388662551.db2.gz ABNSICZLSXLSCQ-MSOLQXFVSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001328620328 1388790796 /nfs/dbraw/zinc/79/07/96/1388790796.db2.gz HQSVCIUUEFMBFK-ICSRJNTNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001328812951 1388879750 /nfs/dbraw/zinc/87/97/50/1388879750.db2.gz STYMXFLUEZKLFE-IBGZPJMESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001328812951 1388879753 /nfs/dbraw/zinc/87/97/53/1388879753.db2.gz STYMXFLUEZKLFE-IBGZPJMESA-N 2 1 349.563 3.101 10 30 EGEEMP C=CCOc1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC001308303299 1384117746 /nfs/dbraw/zinc/11/77/46/1384117746.db2.gz HKXRNFKVTXFFQO-UHFFFAOYSA-N 2 1 332.488 3.230 10 30 EGEEMP C=CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001316714768 1384535632 /nfs/dbraw/zinc/53/56/32/1384535632.db2.gz XXUFFWSPOMDRDH-UAFMIMERSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001316810686 1384607505 /nfs/dbraw/zinc/60/75/05/1384607505.db2.gz KNQRSWIXPQHXOB-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001316810686 1384607506 /nfs/dbraw/zinc/60/75/06/1384607506.db2.gz KNQRSWIXPQHXOB-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001316812330 1384611430 /nfs/dbraw/zinc/61/14/30/1384611430.db2.gz UGYVQMUHZKJVQQ-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC(C)(C)C1 ZINC001316812330 1384611433 /nfs/dbraw/zinc/61/14/33/1384611433.db2.gz UGYVQMUHZKJVQQ-SFHVURJKSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951558 1384726256 /nfs/dbraw/zinc/72/62/56/1384726256.db2.gz AWLXXIUTUCJJIW-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317174185 1384943791 /nfs/dbraw/zinc/94/37/91/1384943791.db2.gz PXSRZMNEBWKDTD-UFYCRDLUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317174185 1384943794 /nfs/dbraw/zinc/94/37/94/1384943794.db2.gz PXSRZMNEBWKDTD-UFYCRDLUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317174185 1384943796 /nfs/dbraw/zinc/94/37/96/1384943796.db2.gz PXSRZMNEBWKDTD-UFYCRDLUSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001317209933 1384989158 /nfs/dbraw/zinc/98/91/58/1384989158.db2.gz VONSYADEQGNREK-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001317209933 1384989160 /nfs/dbraw/zinc/98/91/60/1384989160.db2.gz VONSYADEQGNREK-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001317209933 1384989162 /nfs/dbraw/zinc/98/91/62/1384989162.db2.gz VONSYADEQGNREK-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317210370 1384989250 /nfs/dbraw/zinc/98/92/50/1384989250.db2.gz XPRPAJXERGHECD-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210370 1384989252 /nfs/dbraw/zinc/98/92/52/1384989252.db2.gz XPRPAJXERGHECD-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317210370 1384989254 /nfs/dbraw/zinc/98/92/54/1384989254.db2.gz XPRPAJXERGHECD-RTBURBONSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001317880629 1385559444 /nfs/dbraw/zinc/55/94/44/1385559444.db2.gz ZFMBUGLIXDQMNO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001317880629 1385559449 /nfs/dbraw/zinc/55/94/49/1385559449.db2.gz ZFMBUGLIXDQMNO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001317880629 1385559451 /nfs/dbraw/zinc/55/94/51/1385559451.db2.gz ZFMBUGLIXDQMNO-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317975495 1385594468 /nfs/dbraw/zinc/59/44/68/1385594468.db2.gz NTMPVZNTXHHZHT-IBGZPJMESA-N 2 1 349.563 3.413 10 30 EGEEMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638413 1386012929 /nfs/dbraw/zinc/01/29/29/1386012929.db2.gz YUKFIQJRBSXDOJ-GHTZIAJQSA-N 2 1 327.516 3.268 10 30 EGEEMP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001319818309 1386314723 /nfs/dbraw/zinc/31/47/23/1386314723.db2.gz FBIWEGSEMSGBEO-MSOLQXFVSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001319876175 1386353772 /nfs/dbraw/zinc/35/37/72/1386353772.db2.gz IMEUMMBAVQCAQK-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001319876175 1386353785 /nfs/dbraw/zinc/35/37/85/1386353785.db2.gz IMEUMMBAVQCAQK-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001319876175 1386353791 /nfs/dbraw/zinc/35/37/91/1386353791.db2.gz IMEUMMBAVQCAQK-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001329301591 1389055301 /nfs/dbraw/zinc/05/53/01/1389055301.db2.gz BZMMSYFRBWBVIW-SFHVURJKSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001329923339 1389260716 /nfs/dbraw/zinc/26/07/16/1389260716.db2.gz KNEUFJZMUIPPKN-LJQANCHMSA-N 2 1 347.547 3.189 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001332099197 1389982225 /nfs/dbraw/zinc/98/22/25/1389982225.db2.gz HTVLVHFPLJYVHR-UYAOXDASSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001332099197 1389982228 /nfs/dbraw/zinc/98/22/28/1389982228.db2.gz HTVLVHFPLJYVHR-UYAOXDASSA-N 2 1 346.519 3.275 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001332454043 1390122224 /nfs/dbraw/zinc/12/22/24/1390122224.db2.gz RPGMBOORWAEVIN-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001479569015 1392277987 /nfs/dbraw/zinc/27/79/87/1392277987.db2.gz CBHIDHVTCXDKQH-CEXWTWQISA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748608 1392366326 /nfs/dbraw/zinc/36/63/26/1392366326.db2.gz YZMIKTHHJBQQNC-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480258926 1392642952 /nfs/dbraw/zinc/64/29/52/1392642952.db2.gz XFMJAGSXLLHYAR-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480258926 1392642955 /nfs/dbraw/zinc/64/29/55/1392642955.db2.gz XFMJAGSXLLHYAR-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480258926 1392642957 /nfs/dbraw/zinc/64/29/57/1392642957.db2.gz XFMJAGSXLLHYAR-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480319820 1392680314 /nfs/dbraw/zinc/68/03/14/1392680314.db2.gz RDKBLMAKEUWTMU-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480319820 1392680320 /nfs/dbraw/zinc/68/03/20/1392680320.db2.gz RDKBLMAKEUWTMU-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480319820 1392680322 /nfs/dbraw/zinc/68/03/22/1392680322.db2.gz RDKBLMAKEUWTMU-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001481514227 1394362749 /nfs/dbraw/zinc/36/27/49/1394362749.db2.gz STWJEKRQFXMOLZ-KRWDZBQOSA-N 2 1 346.519 3.143 10 30 EGEEMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001481514227 1394362756 /nfs/dbraw/zinc/36/27/56/1394362756.db2.gz STWJEKRQFXMOLZ-KRWDZBQOSA-N 2 1 346.519 3.143 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481515907 1394365065 /nfs/dbraw/zinc/36/50/65/1394365065.db2.gz HDBPTAUDMIAPHJ-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001481515907 1394365069 /nfs/dbraw/zinc/36/50/69/1394365069.db2.gz HDBPTAUDMIAPHJ-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001481515907 1394365072 /nfs/dbraw/zinc/36/50/72/1394365072.db2.gz HDBPTAUDMIAPHJ-UYAOXDASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001482474279 1395028604 /nfs/dbraw/zinc/02/86/04/1395028604.db2.gz SMFYHRJYHNEEKO-MSOLQXFVSA-N 2 1 349.563 3.432 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845119 1395111476 /nfs/dbraw/zinc/11/14/76/1395111476.db2.gz GTDWQXPXGWOGTE-HXUWFJFHSA-N 2 1 349.563 3.223 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484396941 1395366712 /nfs/dbraw/zinc/36/67/12/1395366712.db2.gz VPCWBYQPBNSMMZ-UFYCRDLUSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001484401315 1395372841 /nfs/dbraw/zinc/37/28/41/1395372841.db2.gz IWDDKMHWQDPDBE-KDURUIRLSA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988434 1406773954 /nfs/dbraw/zinc/77/39/54/1406773954.db2.gz BFOBUELRCSUXPE-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988434 1406773958 /nfs/dbraw/zinc/77/39/58/1406773958.db2.gz BFOBUELRCSUXPE-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001698988434 1406773964 /nfs/dbraw/zinc/77/39/64/1406773964.db2.gz BFOBUELRCSUXPE-MJGOQNOKSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001485457493 1395930287 /nfs/dbraw/zinc/93/02/87/1395930287.db2.gz NGPWLWHMOUZTIB-RBUKOAKNSA-N 2 1 347.547 3.378 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001505401188 1396288631 /nfs/dbraw/zinc/28/86/31/1396288631.db2.gz QDXRMNRMHRGGSH-UHFFFAOYSA-N 2 1 349.563 3.389 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001494686621 1396489411 /nfs/dbraw/zinc/48/94/11/1396489411.db2.gz WZJKZFGZJVZWFZ-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001494686621 1396489416 /nfs/dbraw/zinc/48/94/16/1396489416.db2.gz WZJKZFGZJVZWFZ-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001494686621 1396489417 /nfs/dbraw/zinc/48/94/17/1396489417.db2.gz WZJKZFGZJVZWFZ-GBESFXJTSA-N 2 1 335.536 3.116 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001689265181 1396997055 /nfs/dbraw/zinc/99/70/55/1396997055.db2.gz PKJQTYFVWPCUHU-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001689271993 1397008746 /nfs/dbraw/zinc/00/87/46/1397008746.db2.gz VEVBWQWSJJNUNC-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690450508 1404575127 /nfs/dbraw/zinc/57/51/27/1404575127.db2.gz KWEHMSZIUGJZBO-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690450508 1404575131 /nfs/dbraw/zinc/57/51/31/1404575131.db2.gz KWEHMSZIUGJZBO-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690450508 1404575135 /nfs/dbraw/zinc/57/51/35/1404575135.db2.gz KWEHMSZIUGJZBO-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001691510722 1405312230 /nfs/dbraw/zinc/31/22/30/1405312230.db2.gz SZCAIJNZNBZIER-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001691510722 1405312234 /nfs/dbraw/zinc/31/22/34/1405312234.db2.gz SZCAIJNZNBZIER-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1CC ZINC001691510722 1405312236 /nfs/dbraw/zinc/31/22/36/1405312236.db2.gz SZCAIJNZNBZIER-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1CC ZINC001691510722 1405312242 /nfs/dbraw/zinc/31/22/42/1405312242.db2.gz SZCAIJNZNBZIER-ZCNNSNEGSA-N 2 1 343.515 3.225 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001692009170 1405727375 /nfs/dbraw/zinc/72/73/75/1405727375.db2.gz KYJXWXCMGLFOCF-ZWKOTPCHSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001692280378 1405915884 /nfs/dbraw/zinc/91/58/84/1405915884.db2.gz UWPOEGYTCWKNRE-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001692325205 1405943781 /nfs/dbraw/zinc/94/37/81/1405943781.db2.gz CFKJPJICOLPFDP-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604210 1429812536 /nfs/dbraw/zinc/81/25/36/1429812536.db2.gz VJGGLJSRLPHBBG-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001733604210 1429812542 /nfs/dbraw/zinc/81/25/42/1429812542.db2.gz VJGGLJSRLPHBBG-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001732308494 1428522709 /nfs/dbraw/zinc/52/27/09/1428522709.db2.gz DKNBQKKHKCAGRD-GUDVDZBRSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001732465507 1428595539 /nfs/dbraw/zinc/59/55/39/1428595539.db2.gz CCJPICOBVVJPTA-MJGOQNOKSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732465506 1428595631 /nfs/dbraw/zinc/59/56/31/1428595631.db2.gz CCJPICOBVVJPTA-IEBWSBKVSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001732465505 1428595772 /nfs/dbraw/zinc/59/57/72/1428595772.db2.gz CCJPICOBVVJPTA-HKUYNNGSSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001699867048 1413306547 /nfs/dbraw/zinc/30/65/47/1413306547.db2.gz QNQFVOODHQEGBY-LJQANCHMSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700280500 1413725633 /nfs/dbraw/zinc/72/56/33/1413725633.db2.gz MLJZOEDAJCJKCJ-QZTJIDSGSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001700512573 1414162493 /nfs/dbraw/zinc/16/24/93/1414162493.db2.gz YIXXCYIVQAKSQZ-GOSISDBHSA-N 2 1 347.547 3.236 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713136262 1417717621 /nfs/dbraw/zinc/71/76/21/1417717621.db2.gz BOXGOPZQSFHUPQ-IBGZPJMESA-N 2 1 343.515 3.108 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713259473 1417866991 /nfs/dbraw/zinc/86/69/91/1417866991.db2.gz UFJYHHMWRPAVRZ-PMACEKPBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713291497 1417919039 /nfs/dbraw/zinc/91/90/39/1417919039.db2.gz NKSCROUWTKQAEE-MHJFOBGBSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714035903 1418824663 /nfs/dbraw/zinc/82/46/63/1418824663.db2.gz BGOFTQCYUMXMAW-IBGZPJMESA-N 2 1 349.563 3.293 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001714803138 1419516748 /nfs/dbraw/zinc/51/67/48/1419516748.db2.gz KQXPBTDSTTVTMP-IEBWSBKVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001714832626 1419542805 /nfs/dbraw/zinc/54/28/05/1419542805.db2.gz LUXFEVKDYNMPSL-NSISKUIASA-N 2 1 343.515 3.083 10 30 EGEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001714838145 1419550902 /nfs/dbraw/zinc/55/09/02/1419550902.db2.gz MGOAWQBSQQPIKN-YSIASYRMSA-N 2 1 343.515 3.130 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031919 1419764495 /nfs/dbraw/zinc/76/44/95/1419764495.db2.gz VFNMAYCUBYFPBM-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001715393427 1420091032 /nfs/dbraw/zinc/09/10/32/1420091032.db2.gz ZUHVOAXPLMAYCU-PKOBYXMFSA-N 2 1 335.536 3.090 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001715408240 1420105872 /nfs/dbraw/zinc/10/58/72/1420105872.db2.gz DQGKYRSLJCTBKP-MJGOQNOKSA-N 2 1 349.563 3.432 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270144 1429432438 /nfs/dbraw/zinc/43/24/38/1429432438.db2.gz WGIFZBNUZARLQW-VQTJNVASSA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001733274973 1429437630 /nfs/dbraw/zinc/43/76/30/1429437630.db2.gz QZVVVDJLDXYPES-AQNXPRMDSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733274973 1429437634 /nfs/dbraw/zinc/43/76/34/1429437634.db2.gz QZVVVDJLDXYPES-AQNXPRMDSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001733274973 1429437639 /nfs/dbraw/zinc/43/76/39/1429437639.db2.gz QZVVVDJLDXYPES-AQNXPRMDSA-N 2 1 349.563 3.364 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001716711468 1420864294 /nfs/dbraw/zinc/86/42/94/1420864294.db2.gz WFMHBYXZRZUIDC-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001716711468 1420864296 /nfs/dbraw/zinc/86/42/96/1420864296.db2.gz WFMHBYXZRZUIDC-MOPGFXCFSA-N 2 1 346.519 3.227 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001716888054 1421011595 /nfs/dbraw/zinc/01/15/95/1421011595.db2.gz JUHSHZLDDVKMTR-RTBURBONSA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035680 1421089158 /nfs/dbraw/zinc/08/91/58/1421089158.db2.gz MZQUKHCBILPOIT-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001717127871 1421129434 /nfs/dbraw/zinc/12/94/34/1421129434.db2.gz FYQYMLRUQQBDOR-RTBURBONSA-N 2 1 347.547 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001717237277 1421205499 /nfs/dbraw/zinc/20/54/99/1421205499.db2.gz CUIJINVTPPRNSB-GOSISDBHSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246502 1421217183 /nfs/dbraw/zinc/21/71/83/1421217183.db2.gz NMJILLPFJWIIGU-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001717246502 1421217184 /nfs/dbraw/zinc/21/71/84/1421217184.db2.gz NMJILLPFJWIIGU-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001717246502 1421217185 /nfs/dbraw/zinc/21/71/85/1421217185.db2.gz NMJILLPFJWIIGU-NQIIRXRSSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717311768 1421255802 /nfs/dbraw/zinc/25/58/02/1421255802.db2.gz HVDQGKOAPIZRHI-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001717334713 1421271413 /nfs/dbraw/zinc/27/14/13/1421271413.db2.gz YJUDWWAIWVAJOM-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001717375748 1421317336 /nfs/dbraw/zinc/31/73/36/1421317336.db2.gz BVESOIVOKCOEPL-KRWDZBQOSA-N 2 1 347.503 3.234 10 30 EGEEMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717537325 1421475830 /nfs/dbraw/zinc/47/58/30/1421475830.db2.gz BSLMWJJMTXPHSE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717537325 1421475832 /nfs/dbraw/zinc/47/58/32/1421475832.db2.gz BSLMWJJMTXPHSE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717537325 1421475835 /nfs/dbraw/zinc/47/58/35/1421475835.db2.gz BSLMWJJMTXPHSE-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717705318 1421579585 /nfs/dbraw/zinc/57/95/85/1421579585.db2.gz CSPGCFIJKZPLAL-UHFFFAOYSA-N 2 1 343.515 3.251 10 30 EGEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733424793 1429632125 /nfs/dbraw/zinc/63/21/25/1429632125.db2.gz FYZGUIJYOXXSRJ-GHTZIAJQSA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733463344 1429691778 /nfs/dbraw/zinc/69/17/78/1429691778.db2.gz QYHACFOOFNGXPC-FQEVSTJZSA-N 2 1 349.563 3.271 10 30 EGEEMP C=CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001723641274 1424510450 /nfs/dbraw/zinc/51/04/50/1424510450.db2.gz VPNAXNBTDREFHG-UHFFFAOYSA-N 2 1 347.547 3.332 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678966 1424526418 /nfs/dbraw/zinc/52/64/18/1424526418.db2.gz HIRVZBZUCBJFQM-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001723678966 1424526426 /nfs/dbraw/zinc/52/64/26/1424526426.db2.gz HIRVZBZUCBJFQM-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001723678966 1424526428 /nfs/dbraw/zinc/52/64/28/1424526428.db2.gz HIRVZBZUCBJFQM-WIYYLYMNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733764234 1429984111 /nfs/dbraw/zinc/98/41/11/1429984111.db2.gz FUFWPOLERLMPBY-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764234 1429984114 /nfs/dbraw/zinc/98/41/14/1429984114.db2.gz FUFWPOLERLMPBY-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764234 1429984118 /nfs/dbraw/zinc/98/41/18/1429984118.db2.gz FUFWPOLERLMPBY-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733767075 1429990699 /nfs/dbraw/zinc/99/06/99/1429990699.db2.gz PAXFOWJZSCCDLS-LJQANCHMSA-N 2 1 335.536 3.189 10 30 EGEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC001733875065 1437701362 /nfs/dbraw/zinc/70/13/62/1437701362.db2.gz HDLIISQMDOYPMF-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875065 1437701366 /nfs/dbraw/zinc/70/13/66/1437701366.db2.gz HDLIISQMDOYPMF-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001733875065 1437701368 /nfs/dbraw/zinc/70/13/68/1437701368.db2.gz HDLIISQMDOYPMF-MOPGFXCFSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001734447343 1438107903 /nfs/dbraw/zinc/10/79/03/1438107903.db2.gz ZKLTWZBYFXFRQD-ZJOUEHCJSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280687844 456032478 /nfs/dbraw/zinc/03/24/78/456032478.db2.gz ASOHJUOFNZQYSH-NRDMVMEKSA-N 2 1 328.500 3.468 10 30 EGEEMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C#N)CCC2)CC1 ZINC000418138580 458371624 /nfs/dbraw/zinc/37/16/24/458371624.db2.gz GMRPGKZLPJOECF-UHFFFAOYSA-N 2 1 326.488 3.002 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598603096 459960208 /nfs/dbraw/zinc/96/02/08/459960208.db2.gz SAKYLAOEGYQETG-KBXCAEBGSA-N 2 1 326.444 3.132 10 30 EGEEMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594441642 460221456 /nfs/dbraw/zinc/22/14/56/460221456.db2.gz UBAGXRKGSFJBAL-QFBILLFUSA-N 2 1 342.487 3.268 10 30 EGEEMP C=CCc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480645 461726461 /nfs/dbraw/zinc/72/64/61/461726461.db2.gz WGBBHQJPAFUGCL-QZTJIDSGSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1O ZINC000647480645 461726468 /nfs/dbraw/zinc/72/64/68/461726468.db2.gz WGBBHQJPAFUGCL-QZTJIDSGSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722613 461914479 /nfs/dbraw/zinc/91/44/79/461914479.db2.gz XWZKIDQILNTTOM-MISYRCLQSA-N 2 1 330.472 3.112 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837560 1331213241 /nfs/dbraw/zinc/21/32/41/1331213241.db2.gz VWHLSXSQOIWJJJ-SFHVURJKSA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941075951 1331322011 /nfs/dbraw/zinc/32/20/11/1331322011.db2.gz RKCDHQRTAVWQTR-ZWKOTPCHSA-N 2 1 335.536 3.042 10 30 EGEEMP 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ZINC001324103090 1387542975 /nfs/dbraw/zinc/54/29/75/1387542975.db2.gz NUYNPWFIANQHIE-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001324103090 1387542978 /nfs/dbraw/zinc/54/29/78/1387542978.db2.gz NUYNPWFIANQHIE-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974484 1387862905 /nfs/dbraw/zinc/86/29/05/1387862905.db2.gz ABNYOUZDHMJUJH-CTNGQTDRSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001325529357 1387998009 /nfs/dbraw/zinc/99/80/09/1387998009.db2.gz DOPCJWAAGHJRIK-ZWKOTPCHSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001325529355 1387998054 /nfs/dbraw/zinc/99/80/54/1387998054.db2.gz DOPCJWAAGHJRIK-MSOLQXFVSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001327300059 1388491849 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C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001733604237 1429814494 /nfs/dbraw/zinc/81/44/94/1429814494.db2.gz VUBMNYSDHBIWKF-OTWHNJEPSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001732273370 1428508846 /nfs/dbraw/zinc/50/88/46/1428508846.db2.gz TWGLHCWYQHQUAB-MOPGFXCFSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001699769964 1413175583 /nfs/dbraw/zinc/17/55/83/1413175583.db2.gz CFZZKIMZRYDQPF-QZTJIDSGSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001699805175 1413218422 /nfs/dbraw/zinc/21/84/22/1413218422.db2.gz NETGQIWCVVWBCO-HXUWFJFHSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844252 1413273169 /nfs/dbraw/zinc/27/31/69/1413273169.db2.gz KBFSXROILAJGGP-YLJYHZDGSA-N 2 1 337.552 3.147 10 30 EGEEMP 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C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700340177 1413819175 /nfs/dbraw/zinc/81/91/75/1413819175.db2.gz LVBMQLWTXUUPPT-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700340177 1413819179 /nfs/dbraw/zinc/81/91/79/1413819179.db2.gz LVBMQLWTXUUPPT-HXUWFJFHSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700340514 1413820045 /nfs/dbraw/zinc/82/00/45/1413820045.db2.gz YSCGBPYMPUISHQ-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700340514 1413820050 /nfs/dbraw/zinc/82/00/50/1413820050.db2.gz YSCGBPYMPUISHQ-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700340514 1413820055 /nfs/dbraw/zinc/82/00/55/1413820055.db2.gz YSCGBPYMPUISHQ-NLWGTHIKSA-N 2 1 349.563 3.242 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001700356299 1413859097 /nfs/dbraw/zinc/85/90/97/1413859097.db2.gz GUVVWHHGDUEYND-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001700356299 1413859102 /nfs/dbraw/zinc/85/91/02/1413859102.db2.gz GUVVWHHGDUEYND-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001700356299 1413859106 /nfs/dbraw/zinc/85/91/06/1413859106.db2.gz GUVVWHHGDUEYND-PMACEKPBSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466285 1414073851 /nfs/dbraw/zinc/07/38/51/1414073851.db2.gz LITPVGQIUIXMRB-HUUCEWRRSA-N 2 1 328.460 3.048 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700530595 1414197270 /nfs/dbraw/zinc/19/72/70/1414197270.db2.gz FPDMBZBCSFVCSC-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700530595 1414197274 /nfs/dbraw/zinc/19/72/74/1414197274.db2.gz FPDMBZBCSFVCSC-PMACEKPBSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001732603889 1428855446 /nfs/dbraw/zinc/85/54/46/1428855446.db2.gz AEWQNQSGRUFRDY-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001732603889 1428855450 /nfs/dbraw/zinc/85/54/50/1428855450.db2.gz AEWQNQSGRUFRDY-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001732603889 1428855451 /nfs/dbraw/zinc/85/54/51/1428855451.db2.gz AEWQNQSGRUFRDY-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707272766 1417279322 /nfs/dbraw/zinc/27/93/22/1417279322.db2.gz GXNBJUBWESIHLB-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707272766 1417279324 /nfs/dbraw/zinc/27/93/24/1417279324.db2.gz GXNBJUBWESIHLB-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707272766 1417279326 /nfs/dbraw/zinc/27/93/26/1417279326.db2.gz GXNBJUBWESIHLB-HSALFYBXSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713232669 1417819011 /nfs/dbraw/zinc/81/90/11/1417819011.db2.gz BURRFVRRECBFHW-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001713265373 1417873670 /nfs/dbraw/zinc/87/36/70/1417873670.db2.gz CVDYCAHIUOMBNR-UXHICEINSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713442358 1418078360 /nfs/dbraw/zinc/07/83/60/1418078360.db2.gz NGAGGCRTKWFQLX-VQTJNVASSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713511229 1418239347 /nfs/dbraw/zinc/23/93/47/1418239347.db2.gz PXURABYWTISZJL-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001714327056 1419105882 /nfs/dbraw/zinc/10/58/82/1419105882.db2.gz IMAXTJNSDSGZCW-VQTJNVASSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714528251 1419255081 /nfs/dbraw/zinc/25/50/81/1419255081.db2.gz VOOUPQAWFVQGSH-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714528251 1419255084 /nfs/dbraw/zinc/25/50/84/1419255084.db2.gz VOOUPQAWFVQGSH-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714528251 1419255086 /nfs/dbraw/zinc/25/50/86/1419255086.db2.gz VOOUPQAWFVQGSH-MRXNPFEDSA-N 2 1 343.943 3.078 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017799 1419747157 /nfs/dbraw/zinc/74/71/57/1419747157.db2.gz RQLBDXJFWQAQJX-RDJZCZTQSA-N 2 1 349.544 3.311 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715017799 1419747165 /nfs/dbraw/zinc/74/71/65/1419747165.db2.gz RQLBDXJFWQAQJX-RDJZCZTQSA-N 2 1 349.544 3.311 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715048704 1419789504 /nfs/dbraw/zinc/78/95/04/1419789504.db2.gz XOIWIDPDKOZOCO-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001715095359 1419836254 /nfs/dbraw/zinc/83/62/54/1419836254.db2.gz RGWOSZUHZRZQHE-FGTMMUONSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001715400817 1420099848 /nfs/dbraw/zinc/09/98/48/1420099848.db2.gz DWKMZAMHCIGIGK-PMACEKPBSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001715478507 1420157027 /nfs/dbraw/zinc/15/70/27/1420157027.db2.gz XLSLPXPCHPBCRD-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001715478507 1420157029 /nfs/dbraw/zinc/15/70/29/1420157029.db2.gz XLSLPXPCHPBCRD-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001715478507 1420157031 /nfs/dbraw/zinc/15/70/31/1420157031.db2.gz XLSLPXPCHPBCRD-FQEVSTJZSA-N 2 1 349.563 3.245 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001715933057 1420405020 /nfs/dbraw/zinc/40/50/20/1420405020.db2.gz LTMBFHAWOVLIOT-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715933057 1420405021 /nfs/dbraw/zinc/40/50/21/1420405021.db2.gz LTMBFHAWOVLIOT-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715933057 1420405023 /nfs/dbraw/zinc/40/50/23/1420405023.db2.gz LTMBFHAWOVLIOT-LJQANCHMSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716877151 1421002586 /nfs/dbraw/zinc/00/25/86/1421002586.db2.gz XEJZXGBRAVAQKU-QUCCMNQESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001716889209 1421013096 /nfs/dbraw/zinc/01/30/96/1421013096.db2.gz AKPNKNBPARBLRZ-LJQANCHMSA-N 2 1 343.515 3.084 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038101 1421092709 /nfs/dbraw/zinc/09/27/09/1421092709.db2.gz NOTFQOHNHQOSPU-RTBURBONSA-N 2 1 347.547 3.118 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001717115255 1421119421 /nfs/dbraw/zinc/11/94/21/1421119421.db2.gz KHLVDWYPNXNKDE-APWZRJJASA-N 2 1 329.488 3.014 10 30 EGEEMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581033 1421507272 /nfs/dbraw/zinc/50/72/72/1421507272.db2.gz GVGYJKMCFGIAIZ-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001717581033 1421507273 /nfs/dbraw/zinc/50/72/73/1421507273.db2.gz GVGYJKMCFGIAIZ-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001717838904 1421652730 /nfs/dbraw/zinc/65/27/30/1421652730.db2.gz YYQQPHCTQZESKX-FUHIMQAGSA-N 2 1 344.503 3.086 10 30 EGEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001717838904 1421652732 /nfs/dbraw/zinc/65/27/32/1421652732.db2.gz YYQQPHCTQZESKX-FUHIMQAGSA-N 2 1 344.503 3.086 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001717841478 1421656693 /nfs/dbraw/zinc/65/66/93/1421656693.db2.gz RXDLBKCKOVTXDL-ICSRJNTNSA-N 2 1 346.519 3.275 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001717841478 1421656694 /nfs/dbraw/zinc/65/66/94/1421656694.db2.gz RXDLBKCKOVTXDL-ICSRJNTNSA-N 2 1 346.519 3.275 10 30 EGEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001733424796 1429631832 /nfs/dbraw/zinc/63/18/32/1429631832.db2.gz FYZGUIJYOXXSRJ-NQIIRXRSSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001733436530 1429643902 /nfs/dbraw/zinc/64/39/02/1429643902.db2.gz ATESCGRZYOHKGH-AZUAARDMSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001733458472 1429679358 /nfs/dbraw/zinc/67/93/58/1429679358.db2.gz GSRWBVWRXUUCMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733458472 1429679362 /nfs/dbraw/zinc/67/93/62/1429679362.db2.gz GSRWBVWRXUUCMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733458472 1429679368 /nfs/dbraw/zinc/67/93/68/1429679368.db2.gz GSRWBVWRXUUCMV-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733463743 1429693545 /nfs/dbraw/zinc/69/35/45/1429693545.db2.gz CRJOGJHYGDZDLP-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001724605626 1424939838 /nfs/dbraw/zinc/93/98/38/1424939838.db2.gz DMLIUBKRPIXVBJ-BJLQDIEVSA-N 2 1 347.547 3.092 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652262 1425013268 /nfs/dbraw/zinc/01/32/68/1425013268.db2.gz RKJQVZNMIPEHLT-MOPGFXCFSA-N 2 1 335.536 3.118 10 30 EGEEMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725241491 1425846583 /nfs/dbraw/zinc/84/65/83/1425846583.db2.gz PEFBGAZAXSFEJZ-WOJBJXKFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[N@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001725727976 1426392706 /nfs/dbraw/zinc/39/27/06/1426392706.db2.gz INJTURWEWADFCK-UHFFFAOYSA-N 2 1 342.487 3.391 10 30 EGEEMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001731536578 1427534822 /nfs/dbraw/zinc/53/48/22/1427534822.db2.gz NSFHFOSHDHLWAI-ZWKOTPCHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001731536578 1427534824 /nfs/dbraw/zinc/53/48/24/1427534824.db2.gz NSFHFOSHDHLWAI-ZWKOTPCHSA-N 2 1 346.519 3.334 10 30 EGEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731541505 1427549912 /nfs/dbraw/zinc/54/99/12/1427549912.db2.gz CBVRRMSFRYREBX-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001731551580 1427572117 /nfs/dbraw/zinc/57/21/17/1427572117.db2.gz LODRHKYNHFAHHQ-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551580 1427572123 /nfs/dbraw/zinc/57/21/23/1427572123.db2.gz LODRHKYNHFAHHQ-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001731551580 1427572128 /nfs/dbraw/zinc/57/21/28/1427572128.db2.gz LODRHKYNHFAHHQ-UXHICEINSA-N 2 1 347.547 3.282 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001733598968 1429799125 /nfs/dbraw/zinc/79/91/25/1429799125.db2.gz VQCJAAQWVZZGDQ-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001733598968 1429799128 /nfs/dbraw/zinc/79/91/28/1429799128.db2.gz VQCJAAQWVZZGDQ-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001733598968 1429799131 /nfs/dbraw/zinc/79/91/31/1429799131.db2.gz VQCJAAQWVZZGDQ-OTWHNJEPSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001733687246 1429903101 /nfs/dbraw/zinc/90/31/01/1429903101.db2.gz XXZGTGMUWVQWAT-LTFPLMDUSA-N 2 1 349.563 3.336 10 30 EGEEMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001733835281 1430106878 /nfs/dbraw/zinc/10/68/78/1430106878.db2.gz BROIZIYCSWNTSY-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001733835281 1430106881 /nfs/dbraw/zinc/10/68/81/1430106881.db2.gz BROIZIYCSWNTSY-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001733835281 1430106884 /nfs/dbraw/zinc/10/68/84/1430106884.db2.gz BROIZIYCSWNTSY-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001733898233 1437715246 /nfs/dbraw/zinc/71/52/46/1437715246.db2.gz IFWUEIZSCKBBEF-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001734088355 1437873420 /nfs/dbraw/zinc/87/34/20/1437873420.db2.gz RMYKFYQAKCANEP-MRXNPFEDSA-N 2 1 341.927 3.022 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946218 1440118968 /nfs/dbraw/zinc/11/89/68/1440118968.db2.gz YKIIYQNRGXVSKL-MOPGFXCFSA-N 2 1 349.563 3.290 10 30 EGEEMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352802391 456321921 /nfs/dbraw/zinc/32/19/21/456321921.db2.gz SQSGOLAEVBTFBJ-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352802391 456321927 /nfs/dbraw/zinc/32/19/27/456321927.db2.gz SQSGOLAEVBTFBJ-AWEZNQCLSA-N 2 1 325.378 3.399 10 30 EGEEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000595905592 459480796 /nfs/dbraw/zinc/48/07/96/459480796.db2.gz DUDUOOPMRLIXLL-SFHVURJKSA-N 2 1 329.488 3.030 10 30 EGEEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000595905592 459480804 /nfs/dbraw/zinc/48/08/04/459480804.db2.gz DUDUOOPMRLIXLL-SFHVURJKSA-N 2 1 329.488 3.030 10 30 EGEEMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000592404484 459595737 /nfs/dbraw/zinc/59/57/37/459595737.db2.gz YQOXRNWFLODDRZ-BAGYTPMASA-N 2 1 331.463 3.481 10 30 EGEEMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570766 1296461490 /nfs/dbraw/zinc/46/14/90/1296461490.db2.gz XCJFIBMJSUDHRY-YOEHRIQHSA-N 2 1 334.895 3.132 10 30 EGEEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCCC#N)cc2)C[C@H](C)O1 ZINC000930858185 1328989478 /nfs/dbraw/zinc/98/94/78/1328989478.db2.gz JJZJEVWGCSLMDD-HDICACEKSA-N 2 1 329.488 3.421 10 30 EGEEMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCCC#N)cc2)C[C@H](C)O1 ZINC000930858185 1328989481 /nfs/dbraw/zinc/98/94/81/1328989481.db2.gz JJZJEVWGCSLMDD-HDICACEKSA-N 2 1 329.488 3.421 10 30 EGEEMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCCC#N)cc2)C[C@H](C)O1 ZINC000930858185 1328989484 /nfs/dbraw/zinc/98/94/84/1328989484.db2.gz JJZJEVWGCSLMDD-HDICACEKSA-N 2 1 329.488 3.421 10 30 EGEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801660 1331199794 /nfs/dbraw/zinc/19/97/94/1331199794.db2.gz WEXGOEXUTPCXRC-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801660 1331199796 /nfs/dbraw/zinc/19/97/96/1331199796.db2.gz WEXGOEXUTPCXRC-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801660 1331199797 /nfs/dbraw/zinc/19/97/97/1331199797.db2.gz WEXGOEXUTPCXRC-MOPGFXCFSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001323148144 1387302831 /nfs/dbraw/zinc/30/28/31/1387302831.db2.gz JSFZAAQBDCSJSO-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001323148142 1387302969 /nfs/dbraw/zinc/30/29/69/1387302969.db2.gz JSFZAAQBDCSJSO-AZUAARDMSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816307 1387466969 /nfs/dbraw/zinc/46/69/69/1387466969.db2.gz NOESBWJNBPQXQP-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001323992338 1387505802 /nfs/dbraw/zinc/50/58/02/1387505802.db2.gz ADBGRYGUQRUEFK-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001323992338 1387505804 /nfs/dbraw/zinc/50/58/04/1387505804.db2.gz ADBGRYGUQRUEFK-IBGZPJMESA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265619565 1377155203 /nfs/dbraw/zinc/15/52/03/1377155203.db2.gz PBOPRKILZJNJGG-LJQANCHMSA-N 2 1 349.563 3.435 10 30 EGEEMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267054766 1377409453 /nfs/dbraw/zinc/40/94/53/1377409453.db2.gz BZAXZFVDNWRFOI-FHWLQOOXSA-N 2 1 337.552 3.125 10 30 EGEEMP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001327685519 1388581881 /nfs/dbraw/zinc/58/18/81/1388581881.db2.gz PEMGESZADHZJRD-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001327685519 1388581885 /nfs/dbraw/zinc/58/18/85/1388581885.db2.gz PEMGESZADHZJRD-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001327685519 1388581888 /nfs/dbraw/zinc/58/18/88/1388581888.db2.gz PEMGESZADHZJRD-HXUWFJFHSA-N 2 1 341.499 3.069 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058359 1379410508 /nfs/dbraw/zinc/41/05/08/1379410508.db2.gz QJGSWDYCGIHRFO-WERVVEIQSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058359 1379410513 /nfs/dbraw/zinc/41/05/13/1379410513.db2.gz QJGSWDYCGIHRFO-WERVVEIQSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058359 1379410516 /nfs/dbraw/zinc/41/05/16/1379410516.db2.gz QJGSWDYCGIHRFO-WERVVEIQSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127824 1379503193 /nfs/dbraw/zinc/50/31/93/1379503193.db2.gz FQYAKYRMAFXENB-WMZOPIPTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001284127824 1379503198 /nfs/dbraw/zinc/50/31/98/1379503198.db2.gz FQYAKYRMAFXENB-WMZOPIPTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001284127824 1379503199 /nfs/dbraw/zinc/50/31/99/1379503199.db2.gz FQYAKYRMAFXENB-WMZOPIPTSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321972 1379711797 /nfs/dbraw/zinc/71/17/97/1379711797.db2.gz DXABLDVNVSNPIZ-IRXDYDNUSA-N 2 1 337.552 3.146 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079293 1388662486 /nfs/dbraw/zinc/66/24/86/1388662486.db2.gz ABNSICZLSXLSCQ-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079293 1388662490 /nfs/dbraw/zinc/66/24/90/1388662490.db2.gz ABNSICZLSXLSCQ-QZTJIDSGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797076 1388868185 /nfs/dbraw/zinc/86/81/85/1388868185.db2.gz LOEDAOWTKBQOLN-WOJBJXKFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316768845 1384568487 /nfs/dbraw/zinc/56/84/87/1384568487.db2.gz BGYBZJAJVXDFJY-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001316775871 1384574605 /nfs/dbraw/zinc/57/46/05/1384574605.db2.gz UIPYSQLZFGIKAA-WOJBJXKFSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944224 1384715669 /nfs/dbraw/zinc/71/56/69/1384715669.db2.gz KPTACAPNIZIBCJ-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316944224 1384715670 /nfs/dbraw/zinc/71/56/70/1384715670.db2.gz KPTACAPNIZIBCJ-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001316944224 1384715671 /nfs/dbraw/zinc/71/56/71/1384715671.db2.gz KPTACAPNIZIBCJ-OALUTQOASA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951565 1384725644 /nfs/dbraw/zinc/72/56/44/1384725644.db2.gz AWLXXIUTUCJJIW-RTBURBONSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317002908 1384761082 /nfs/dbraw/zinc/76/10/82/1384761082.db2.gz QUJDJWWTVQAGMI-IBGZPJMESA-N 2 1 347.547 3.188 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317035602 1384806033 /nfs/dbraw/zinc/80/60/33/1384806033.db2.gz NLZWYTIIKLKIOQ-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317035602 1384806035 /nfs/dbraw/zinc/80/60/35/1384806035.db2.gz NLZWYTIIKLKIOQ-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317035602 1384806038 /nfs/dbraw/zinc/80/60/38/1384806038.db2.gz NLZWYTIIKLKIOQ-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001317175789 1384947024 /nfs/dbraw/zinc/94/70/24/1384947024.db2.gz GOCFEMPEIFDNPG-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317175789 1384947027 /nfs/dbraw/zinc/94/70/27/1384947027.db2.gz GOCFEMPEIFDNPG-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317175789 1384947033 /nfs/dbraw/zinc/94/70/33/1384947033.db2.gz GOCFEMPEIFDNPG-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001317175789 1384947036 /nfs/dbraw/zinc/94/70/36/1384947036.db2.gz GOCFEMPEIFDNPG-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCN1CC[C@H]([N@H+](CCCC)C2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC001174985178 1385178625 /nfs/dbraw/zinc/17/86/25/1385178625.db2.gz XKHDQIXNUSQYHK-KRWDZBQOSA-N 2 1 335.536 3.185 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524725 1385243314 /nfs/dbraw/zinc/24/33/14/1385243314.db2.gz BIWCEGJIPTXNDK-WBVHZDCISA-N 2 1 340.471 3.049 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317955000 1385585025 /nfs/dbraw/zinc/58/50/25/1385585025.db2.gz AMOQGHJKTKZMGD-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317955000 1385585028 /nfs/dbraw/zinc/58/50/28/1385585028.db2.gz AMOQGHJKTKZMGD-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001318966625 1385901856 /nfs/dbraw/zinc/90/18/56/1385901856.db2.gz VQFDKFVNPNSHDW-YRPNKDGESA-N 2 1 349.563 3.480 10 30 EGEEMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001319881892 1386357626 /nfs/dbraw/zinc/35/76/26/1386357626.db2.gz VIUZXTUOQVOJPM-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001319881892 1386357631 /nfs/dbraw/zinc/35/76/31/1386357631.db2.gz VIUZXTUOQVOJPM-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001319881892 1386357638 /nfs/dbraw/zinc/35/76/38/1386357638.db2.gz VIUZXTUOQVOJPM-HXUWFJFHSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001329826163 1389232304 /nfs/dbraw/zinc/23/23/04/1389232304.db2.gz WEVFQYMTZOJAMT-KZNAEPCWSA-N 2 1 335.536 3.090 10 30 EGEEMP CCCCCCC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045811 1389609078 /nfs/dbraw/zinc/60/90/78/1389609078.db2.gz VWZZOHYHHMREPT-UHFFFAOYSA-N 2 1 334.508 3.085 10 30 EGEEMP CCCCCCC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045811 1389609081 /nfs/dbraw/zinc/60/90/81/1389609081.db2.gz VWZZOHYHHMREPT-UHFFFAOYSA-N 2 1 334.508 3.085 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480258925 1392643058 /nfs/dbraw/zinc/64/30/58/1392643058.db2.gz XFMJAGSXLLHYAR-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480258925 1392643059 /nfs/dbraw/zinc/64/30/59/1392643059.db2.gz XFMJAGSXLLHYAR-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480258925 1392643060 /nfs/dbraw/zinc/64/30/60/1392643060.db2.gz XFMJAGSXLLHYAR-GOSISDBHSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723374 1392885403 /nfs/dbraw/zinc/88/54/03/1392885403.db2.gz CDZVNRQDSLOSPV-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480723374 1392885410 /nfs/dbraw/zinc/88/54/10/1392885410.db2.gz CDZVNRQDSLOSPV-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480723374 1392885418 /nfs/dbraw/zinc/88/54/18/1392885418.db2.gz CDZVNRQDSLOSPV-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480736986 1392903020 /nfs/dbraw/zinc/90/30/20/1392903020.db2.gz KHYCWTLOTAOLCW-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736986 1392903025 /nfs/dbraw/zinc/90/30/25/1392903025.db2.gz KHYCWTLOTAOLCW-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480736986 1392903028 /nfs/dbraw/zinc/90/30/28/1392903028.db2.gz KHYCWTLOTAOLCW-MOPGFXCFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480824165 1392962565 /nfs/dbraw/zinc/96/25/65/1392962565.db2.gz OPDLONGFMAPZNF-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480824165 1392962567 /nfs/dbraw/zinc/96/25/67/1392962567.db2.gz OPDLONGFMAPZNF-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480824165 1392962568 /nfs/dbraw/zinc/96/25/68/1392962568.db2.gz OPDLONGFMAPZNF-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001698930573 1406667199 /nfs/dbraw/zinc/66/71/99/1406667199.db2.gz CDZFGUPSAXKGAD-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491192094 1394464780 /nfs/dbraw/zinc/46/47/80/1394464780.db2.gz ZDNDJGGPAIQVRH-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001482070922 1394733609 /nfs/dbraw/zinc/73/36/09/1394733609.db2.gz YACDFEJLSUJSFW-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001482070922 1394733616 /nfs/dbraw/zinc/73/36/16/1394733616.db2.gz YACDFEJLSUJSFW-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001482070922 1394733617 /nfs/dbraw/zinc/73/36/17/1394733617.db2.gz YACDFEJLSUJSFW-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001482423058 1394984846 /nfs/dbraw/zinc/98/48/46/1394984846.db2.gz IHWFTMFFMYWGPC-IEBWSBKVSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001484021973 1395194044 /nfs/dbraw/zinc/19/40/44/1395194044.db2.gz GVLZNFWMXZKSAT-FPOVZHCZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021973 1395194047 /nfs/dbraw/zinc/19/40/47/1395194047.db2.gz GVLZNFWMXZKSAT-FPOVZHCZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001484021973 1395194048 /nfs/dbraw/zinc/19/40/48/1395194048.db2.gz GVLZNFWMXZKSAT-FPOVZHCZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484396942 1395366892 /nfs/dbraw/zinc/36/68/92/1395366892.db2.gz VPCWBYQPBNSMMZ-VAMGGRTRSA-N 2 1 349.563 3.338 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001484561617 1395447636 /nfs/dbraw/zinc/44/76/36/1395447636.db2.gz OQRFKNDLRLEALQ-QKLQHJQFSA-N 2 1 343.515 3.260 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827643 1395564638 /nfs/dbraw/zinc/56/46/38/1395564638.db2.gz RIMPAJUVJJPEGF-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001485435720 1395903486 /nfs/dbraw/zinc/90/34/86/1395903486.db2.gz ZBMWAGYRNBBTQK-UYAOXDASSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001485457490 1395930398 /nfs/dbraw/zinc/93/03/98/1395930398.db2.gz NGPWLWHMOUZTIB-OALUTQOASA-N 2 1 347.547 3.378 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570863 1396035169 /nfs/dbraw/zinc/03/51/69/1396035169.db2.gz UNQXGQSXQSMFQA-MOPGFXCFSA-N 2 1 349.563 3.125 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001485658875 1396089249 /nfs/dbraw/zinc/08/92/49/1396089249.db2.gz ZQKUZSAVHXSMRC-SLFFLAALSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493130877 1396336984 /nfs/dbraw/zinc/33/69/84/1396336984.db2.gz QZMTVXPGNZBHLE-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493130877 1396336985 /nfs/dbraw/zinc/33/69/85/1396336985.db2.gz QZMTVXPGNZBHLE-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001493130877 1396336986 /nfs/dbraw/zinc/33/69/86/1396336986.db2.gz QZMTVXPGNZBHLE-PMACEKPBSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001496427369 1396704429 /nfs/dbraw/zinc/70/44/29/1396704429.db2.gz KHYLXGSLWQUORC-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001496427369 1396704431 /nfs/dbraw/zinc/70/44/31/1396704431.db2.gz KHYLXGSLWQUORC-HXUWFJFHSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001689265180 1396997228 /nfs/dbraw/zinc/99/72/28/1396997228.db2.gz PKJQTYFVWPCUHU-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001690823159 1404759411 /nfs/dbraw/zinc/75/94/11/1404759411.db2.gz TXQQVLXUKJUZLJ-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823159 1404759415 /nfs/dbraw/zinc/75/94/15/1404759415.db2.gz TXQQVLXUKJUZLJ-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690823159 1404759416 /nfs/dbraw/zinc/75/94/16/1404759416.db2.gz TXQQVLXUKJUZLJ-VQTJNVASSA-N 2 1 343.515 3.178 10 30 EGEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001691632656 1405370049 /nfs/dbraw/zinc/37/00/49/1405370049.db2.gz NHDPQDPYCARYEK-WOJBJXKFSA-N 2 1 343.515 3.226 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001691790171 1405499639 /nfs/dbraw/zinc/49/96/39/1405499639.db2.gz JUCUYKWAUZFHIU-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001691790171 1405499642 /nfs/dbraw/zinc/49/96/42/1405499642.db2.gz JUCUYKWAUZFHIU-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001691790171 1405499646 /nfs/dbraw/zinc/49/96/46/1405499646.db2.gz JUCUYKWAUZFHIU-RBUKOAKNSA-N 2 1 337.552 3.364 10 30 EGEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001691807258 1405519384 /nfs/dbraw/zinc/51/93/84/1405519384.db2.gz LNBQVKYGOGWUPE-QWFCFKBJSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001692023111 1405741691 /nfs/dbraw/zinc/74/16/91/1405741691.db2.gz OGLOEVRCCGFFOV-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692023111 1405741696 /nfs/dbraw/zinc/74/16/96/1405741696.db2.gz OGLOEVRCCGFFOV-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001692023111 1405741698 /nfs/dbraw/zinc/74/16/98/1405741698.db2.gz OGLOEVRCCGFFOV-FQEVSTJZSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001692121033 1405783634 /nfs/dbraw/zinc/78/36/34/1405783634.db2.gz MPOZYALWWIWZRY-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001692138566 1405793720 /nfs/dbraw/zinc/79/37/20/1405793720.db2.gz BMCRUGKWUOZUID-NZSAHSFTSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001692138566 1405793724 /nfs/dbraw/zinc/79/37/24/1405793724.db2.gz BMCRUGKWUOZUID-NZSAHSFTSA-N 2 1 349.563 3.146 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001692138566 1405793726 /nfs/dbraw/zinc/79/37/26/1405793726.db2.gz BMCRUGKWUOZUID-NZSAHSFTSA-N 2 1 349.563 3.146 10 30 EGEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001692255147 1405882100 /nfs/dbraw/zinc/88/21/00/1405882100.db2.gz ZBNCOUNBKCRPIR-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001699487470 1412883456 /nfs/dbraw/zinc/88/34/56/1412883456.db2.gz SZLFMBOVJZQDPF-ROUUACIJSA-N 2 1 346.519 3.237 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001699773380 1413181803 /nfs/dbraw/zinc/18/18/03/1413181803.db2.gz QUUUAFNZSDGOIM-QGZVFWFLSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001699805174 1413218290 /nfs/dbraw/zinc/21/82/90/1413218290.db2.gz NETGQIWCVVWBCO-FQEVSTJZSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001699857586 1413289279 /nfs/dbraw/zinc/28/92/79/1413289279.db2.gz GEWSNEMPRKQYQS-PZJWPPBQSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001700129443 1413545070 /nfs/dbraw/zinc/54/50/70/1413545070.db2.gz VMLXULJVJSSHQG-ZWKOTPCHSA-N 2 1 346.519 3.332 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197298 1413638934 /nfs/dbraw/zinc/63/89/34/1413638934.db2.gz JWFBMEQKZAKFKX-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707046988 1417159125 /nfs/dbraw/zinc/15/91/25/1417159125.db2.gz AOXNGBHAJQDBIX-FHWLQOOXSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001707046988 1417159126 /nfs/dbraw/zinc/15/91/26/1417159126.db2.gz AOXNGBHAJQDBIX-FHWLQOOXSA-N 2 1 337.552 3.220 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001707046988 1417159128 /nfs/dbraw/zinc/15/91/28/1417159128.db2.gz AOXNGBHAJQDBIX-FHWLQOOXSA-N 2 1 337.552 3.220 10 30 EGEEMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001713100901 1417653895 /nfs/dbraw/zinc/65/38/95/1417653895.db2.gz IXTGEXHDJUFRSC-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131547 1417705402 /nfs/dbraw/zinc/70/54/02/1417705402.db2.gz HALAAKXCZMGTJN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713131547 1417705404 /nfs/dbraw/zinc/70/54/04/1417705404.db2.gz HALAAKXCZMGTJN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713131547 1417705406 /nfs/dbraw/zinc/70/54/06/1417705406.db2.gz HALAAKXCZMGTJN-QUCCMNQESA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713266976 1417876237 /nfs/dbraw/zinc/87/62/37/1417876237.db2.gz OYGRGUNOXKITLU-MOPGFXCFSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713268671 1417877794 /nfs/dbraw/zinc/87/77/94/1417877794.db2.gz BLXJYYQZBRZJBP-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507248 1418231744 /nfs/dbraw/zinc/23/17/44/1418231744.db2.gz LJDHALTVVQWMFA-RDJZCZTQSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507248 1418231749 /nfs/dbraw/zinc/23/17/49/1418231749.db2.gz LJDHALTVVQWMFA-RDJZCZTQSA-N 2 1 349.544 3.359 10 30 EGEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689325 1418442975 /nfs/dbraw/zinc/44/29/75/1418442975.db2.gz BSALXOUOGRFNAW-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001713689325 1418442976 /nfs/dbraw/zinc/44/29/76/1418442976.db2.gz BSALXOUOGRFNAW-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001713689325 1418442977 /nfs/dbraw/zinc/44/29/77/1418442977.db2.gz BSALXOUOGRFNAW-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713790122 1418607862 /nfs/dbraw/zinc/60/78/62/1418607862.db2.gz JZCHGLWKXFCZRE-GOSISDBHSA-N 2 1 335.536 3.166 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714036286 1418825409 /nfs/dbraw/zinc/82/54/09/1418825409.db2.gz RPSGNFPVABCIOW-ZWKOTPCHSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001714036286 1418825411 /nfs/dbraw/zinc/82/54/11/1418825411.db2.gz RPSGNFPVABCIOW-ZWKOTPCHSA-N 2 1 346.519 3.191 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714609122 1419368179 /nfs/dbraw/zinc/36/81/79/1419368179.db2.gz AIIFTMAPUAKLMB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714609122 1419368180 /nfs/dbraw/zinc/36/81/80/1419368180.db2.gz AIIFTMAPUAKLMB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714609122 1419368184 /nfs/dbraw/zinc/36/81/84/1419368184.db2.gz AIIFTMAPUAKLMB-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715437996 1420123522 /nfs/dbraw/zinc/12/35/22/1420123522.db2.gz SCGZLMNNGSKOMC-QUCCMNQESA-N 2 1 347.547 3.188 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001716712825 1420865462 /nfs/dbraw/zinc/86/54/62/1420865462.db2.gz ZVDJYSBSILVGJW-UXHICEINSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCCCC1 ZINC001733278537 1429446857 /nfs/dbraw/zinc/44/68/57/1429446857.db2.gz SMPKAQBMIWKTGG-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CCCCCC1 ZINC001733278537 1429446858 /nfs/dbraw/zinc/44/68/58/1429446858.db2.gz SMPKAQBMIWKTGG-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CCCCCC1 ZINC001733278537 1429446861 /nfs/dbraw/zinc/44/68/61/1429446861.db2.gz SMPKAQBMIWKTGG-IBGZPJMESA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001716895886 1421022919 /nfs/dbraw/zinc/02/29/19/1421022919.db2.gz NKCYIFYXGOVMJH-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001716895886 1421022920 /nfs/dbraw/zinc/02/29/20/1421022920.db2.gz NKCYIFYXGOVMJH-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001716895886 1421022922 /nfs/dbraw/zinc/02/29/22/1421022922.db2.gz NKCYIFYXGOVMJH-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039293 1421093566 /nfs/dbraw/zinc/09/35/66/1421093566.db2.gz XJDCTALBJMILIP-VQTJNVASSA-N 2 1 347.547 3.284 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001717129536 1421130584 /nfs/dbraw/zinc/13/05/84/1421130584.db2.gz NJLQYOXTDLSLDY-LJQANCHMSA-N 2 1 349.563 3.366 10 30 EGEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717240550 1421208896 /nfs/dbraw/zinc/20/88/96/1421208896.db2.gz BQKUYYNUAFDWPE-SFHVURJKSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717700918 1421574002 /nfs/dbraw/zinc/57/40/02/1421574002.db2.gz LGQZSIMEUOVCNC-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700918 1421574005 /nfs/dbraw/zinc/57/40/05/1421574005.db2.gz LGQZSIMEUOVCNC-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001717700918 1421574007 /nfs/dbraw/zinc/57/40/07/1421574007.db2.gz LGQZSIMEUOVCNC-VQTJNVASSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733463771 1429693683 /nfs/dbraw/zinc/69/36/83/1429693683.db2.gz VSPGKWZCCQCVDX-OAQYLSRUSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001733463771 1429693685 /nfs/dbraw/zinc/69/36/85/1429693685.db2.gz VSPGKWZCCQCVDX-OAQYLSRUSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001733463771 1429693687 /nfs/dbraw/zinc/69/36/87/1429693687.db2.gz VSPGKWZCCQCVDX-OAQYLSRUSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1CC ZINC001733518432 1429727969 /nfs/dbraw/zinc/72/79/69/1429727969.db2.gz NNNPPGZHVGUMED-WOJBJXKFSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001723639881 1424505301 /nfs/dbraw/zinc/50/53/01/1424505301.db2.gz HGNADKHHZFYSPY-NRFANRHFSA-N 2 1 347.547 3.189 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCCC1 ZINC001723639881 1424505305 /nfs/dbraw/zinc/50/53/05/1424505305.db2.gz HGNADKHHZFYSPY-NRFANRHFSA-N 2 1 347.547 3.189 10 30 EGEEMP C=C(C)C[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCCC1 ZINC001723639881 1424505313 /nfs/dbraw/zinc/50/53/13/1424505313.db2.gz HGNADKHHZFYSPY-NRFANRHFSA-N 2 1 347.547 3.189 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724164528 1424700533 /nfs/dbraw/zinc/70/05/33/1424700533.db2.gz GEYCRXUARUWNLA-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001724294784 1424779872 /nfs/dbraw/zinc/77/98/72/1424779872.db2.gz YPKYRHBOKXZJID-RBUKOAKNSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724659249 1425033412 /nfs/dbraw/zinc/03/34/12/1425033412.db2.gz UZOZCSMDLVSWAC-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659249 1425033435 /nfs/dbraw/zinc/03/34/35/1425033435.db2.gz UZOZCSMDLVSWAC-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001724659249 1425033460 /nfs/dbraw/zinc/03/34/60/1425033460.db2.gz UZOZCSMDLVSWAC-WOJBJXKFSA-N 2 1 347.547 3.282 10 30 EGEEMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001724736283 1425092438 /nfs/dbraw/zinc/09/24/38/1425092438.db2.gz FZRYITBDXUHVAP-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724736283 1425092445 /nfs/dbraw/zinc/09/24/45/1425092445.db2.gz FZRYITBDXUHVAP-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724736283 1425092453 /nfs/dbraw/zinc/09/24/53/1425092453.db2.gz FZRYITBDXUHVAP-FQEVSTJZSA-N 2 1 343.515 3.184 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869769 1425252722 /nfs/dbraw/zinc/25/27/22/1425252722.db2.gz WBJPYEYJPCSLTK-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001725028275 1425449432 /nfs/dbraw/zinc/44/94/32/1425449432.db2.gz XWAAPBLMWAYSNG-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001725028275 1425449434 /nfs/dbraw/zinc/44/94/34/1425449434.db2.gz XWAAPBLMWAYSNG-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[C@H](C)[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001725028275 1425449437 /nfs/dbraw/zinc/44/94/37/1425449437.db2.gz XWAAPBLMWAYSNG-AZUAARDMSA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725238899 1425834406 /nfs/dbraw/zinc/83/44/06/1425834406.db2.gz HTLJXWMVWDIYQD-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725238899 1425834415 /nfs/dbraw/zinc/83/44/15/1425834415.db2.gz HTLJXWMVWDIYQD-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725238899 1425834424 /nfs/dbraw/zinc/83/44/24/1425834424.db2.gz HTLJXWMVWDIYQD-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001725238899 1425834433 /nfs/dbraw/zinc/83/44/33/1425834433.db2.gz HTLJXWMVWDIYQD-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731756645 1427858435 /nfs/dbraw/zinc/85/84/35/1427858435.db2.gz CAQULGUWXPNGJI-IBGZPJMESA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733764231 1429983798 /nfs/dbraw/zinc/98/37/98/1429983798.db2.gz FUFWPOLERLMPBY-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764231 1429983800 /nfs/dbraw/zinc/98/38/00/1429983800.db2.gz FUFWPOLERLMPBY-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001733764231 1429983802 /nfs/dbraw/zinc/98/38/02/1429983802.db2.gz FUFWPOLERLMPBY-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733813794 1430094629 /nfs/dbraw/zinc/09/46/29/1430094629.db2.gz QSQACCTXQQZAPT-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001734195935 1437937202 /nfs/dbraw/zinc/93/72/02/1437937202.db2.gz PRTGDODAXVRIMI-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195935 1437937206 /nfs/dbraw/zinc/93/72/06/1437937206.db2.gz PRTGDODAXVRIMI-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001734195935 1437937207 /nfs/dbraw/zinc/93/72/07/1437937207.db2.gz PRTGDODAXVRIMI-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001734304569 1438035814 /nfs/dbraw/zinc/03/58/14/1438035814.db2.gz KXDLCYKOQSUBHN-VQTJNVASSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]21 ZINC001734441121 1438103258 /nfs/dbraw/zinc/10/32/58/1438103258.db2.gz BVKRBTWQXAVVRU-DFQSSKMNSA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001734442311 1438104413 /nfs/dbraw/zinc/10/44/13/1438104413.db2.gz PZCSEJCHLJEHJT-PZJWPPBQSA-N 2 1 349.563 3.412 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001734605234 1438185446 /nfs/dbraw/zinc/18/54/46/1438185446.db2.gz YBSNUJJMDBQOLB-MSOLQXFVSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001734628069 1438191985 /nfs/dbraw/zinc/19/19/85/1438191985.db2.gz PLZJOQORENKWNO-UHFFFAOYSA-N 2 1 347.547 3.213 10 30 EGEEMP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897765 455723074 /nfs/dbraw/zinc/72/30/74/455723074.db2.gz QDHCOLFUCIMKIM-GHTZIAJQSA-N 2 1 327.516 3.137 10 30 EGEEMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897765 455723078 /nfs/dbraw/zinc/72/30/78/455723078.db2.gz QDHCOLFUCIMKIM-GHTZIAJQSA-N 2 1 327.516 3.137 10 30 EGEEMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497552 459062310 /nfs/dbraw/zinc/06/23/10/459062310.db2.gz GTVMQKODIKAQMN-UHFFFAOYSA-N 2 1 343.515 3.467 10 30 EGEEMP C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC[NH2+]1 ZINC000662749649 461364079 /nfs/dbraw/zinc/36/40/79/461364079.db2.gz GJFJJCIJDGMXPL-MGPUTAFESA-N 2 1 338.455 3.056 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665098 1299466087 /nfs/dbraw/zinc/46/60/87/1299466087.db2.gz HFUUOCZLJAEWLT-UHFFFAOYSA-N 2 1 332.488 3.042 10 30 EGEEMP C#CC[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000862445073 1329487928 /nfs/dbraw/zinc/48/79/28/1329487928.db2.gz LGWITDDQGFTXRW-SFHVURJKSA-N 2 1 325.500 3.062 10 30 EGEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743480 1331176069 /nfs/dbraw/zinc/17/60/69/1331176069.db2.gz ATGVJKHBOWMTKF-MJGOQNOKSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743480 1331176072 /nfs/dbraw/zinc/17/60/72/1331176072.db2.gz ATGVJKHBOWMTKF-MJGOQNOKSA-N 2 1 347.547 3.044 10 30 EGEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743480 1331176076 /nfs/dbraw/zinc/17/60/76/1331176076.db2.gz ATGVJKHBOWMTKF-MJGOQNOKSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075957 1331321687 /nfs/dbraw/zinc/32/16/87/1331321687.db2.gz RMIZAJFHXZNISD-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001323722622 1387432516 /nfs/dbraw/zinc/43/25/16/1387432516.db2.gz QVDWLZGCZWGBMJ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001323722622 1387432519 /nfs/dbraw/zinc/43/25/19/1387432519.db2.gz QVDWLZGCZWGBMJ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001323722622 1387432526 /nfs/dbraw/zinc/43/25/26/1387432526.db2.gz QVDWLZGCZWGBMJ-HXUWFJFHSA-N 2 1 347.547 3.025 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323815534 1387466729 /nfs/dbraw/zinc/46/67/29/1387466729.db2.gz FDVVBKITTRWXRI-OAQYLSRUSA-N 2 1 347.547 3.143 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001323992557 1387505820 /nfs/dbraw/zinc/50/58/20/1387505820.db2.gz DIUVVVLAMDZKFV-MJGOQNOKSA-N 2 1 335.536 3.116 10 30 EGEEMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001323992557 1387505821 /nfs/dbraw/zinc/50/58/21/1387505821.db2.gz DIUVVVLAMDZKFV-MJGOQNOKSA-N 2 1 335.536 3.116 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001325630195 1388016378 /nfs/dbraw/zinc/01/63/78/1388016378.db2.gz SXDZTBBWZRNEAN-UHZRXMQZSA-N 2 1 349.563 3.287 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899326 1388072341 /nfs/dbraw/zinc/07/23/41/1388072341.db2.gz OZIISSSGYWHQID-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001326468123 1388203402 /nfs/dbraw/zinc/20/34/02/1388203402.db2.gz KCPMVEVDMACXTE-LSTHTHJFSA-N 2 1 343.515 3.260 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266877228 1377398639 /nfs/dbraw/zinc/39/86/39/1377398639.db2.gz JBTUPNMNTSKDDF-RTBURBONSA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001268045129 1377483468 /nfs/dbraw/zinc/48/34/68/1377483468.db2.gz RPWMNUGOPVZPDF-RTBURBONSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001281305004 1378414645 /nfs/dbraw/zinc/41/46/45/1378414645.db2.gz OVTCQHVKCRMPJP-IRXDYDNUSA-N 2 1 341.499 3.067 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282965832 1378690600 /nfs/dbraw/zinc/69/06/00/1378690600.db2.gz BVLWKVSOBMXGNN-IBGZPJMESA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001282965832 1378690601 /nfs/dbraw/zinc/69/06/01/1378690601.db2.gz BVLWKVSOBMXGNN-IBGZPJMESA-N 2 1 349.563 3.366 10 30 EGEEMP CCCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001282965832 1378690603 /nfs/dbraw/zinc/69/06/03/1378690603.db2.gz BVLWKVSOBMXGNN-IBGZPJMESA-N 2 1 349.563 3.366 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327695536 1388585647 /nfs/dbraw/zinc/58/56/47/1388585647.db2.gz INJWNPLJRRCEEQ-OXJNMPFZSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001327695536 1388585651 /nfs/dbraw/zinc/58/56/51/1388585651.db2.gz INJWNPLJRRCEEQ-OXJNMPFZSA-N 2 1 341.499 3.067 10 30 EGEEMP C=CCC[C@H](C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001327695536 1388585653 /nfs/dbraw/zinc/58/56/53/1388585653.db2.gz INJWNPLJRRCEEQ-OXJNMPFZSA-N 2 1 341.499 3.067 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001328283770 1388714392 /nfs/dbraw/zinc/71/43/92/1388714392.db2.gz MFQSMNRXHYLKOG-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001328283770 1388714394 /nfs/dbraw/zinc/71/43/94/1388714394.db2.gz MFQSMNRXHYLKOG-SJLPKXTDSA-N 2 1 334.508 3.131 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781032 1388858796 /nfs/dbraw/zinc/85/87/96/1388858796.db2.gz QFRAXPIGLPMOCH-ICSRJNTNSA-N 2 1 349.563 3.384 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001316879326 1384664505 /nfs/dbraw/zinc/66/45/05/1384664505.db2.gz KHIAIKQUSKTXAT-HKUYNNGSSA-N 2 1 346.519 3.297 10 30 EGEEMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317051000 1384827426 /nfs/dbraw/zinc/82/74/26/1384827426.db2.gz NYMXDUPQDJJWIG-LWYYNNOASA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317051000 1384827429 /nfs/dbraw/zinc/82/74/29/1384827429.db2.gz NYMXDUPQDJJWIG-LWYYNNOASA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317051000 1384827433 /nfs/dbraw/zinc/82/74/33/1384827433.db2.gz NYMXDUPQDJJWIG-LWYYNNOASA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001317725866 1385425402 /nfs/dbraw/zinc/42/54/02/1385425402.db2.gz XSTSBEZZZLAIDY-WOJBJXKFSA-N 2 1 343.515 3.273 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001318966622 1385901521 /nfs/dbraw/zinc/90/15/21/1385901521.db2.gz VQFDKFVNPNSHDW-MUGJNUQGSA-N 2 1 349.563 3.480 10 30 EGEEMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001319032104 1385938161 /nfs/dbraw/zinc/93/81/61/1385938161.db2.gz VARCOZSQSKMYEE-HXUWFJFHSA-N 2 1 349.563 3.293 10 30 EGEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001329301588 1389055202 /nfs/dbraw/zinc/05/52/02/1389055202.db2.gz BZMMSYFRBWBVIW-GOSISDBHSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332013096 1389946098 /nfs/dbraw/zinc/94/60/98/1389946098.db2.gz HTSTWXVGPLEVNL-ZWKOTPCHSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001332118795 1389995379 /nfs/dbraw/zinc/99/53/79/1389995379.db2.gz QMOUUUPFHHLLOF-CTNGQTDRSA-N 2 1 347.547 3.332 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332218503 1390050596 /nfs/dbraw/zinc/05/05/96/1390050596.db2.gz LKVOZYUAWPGANI-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332218503 1390050601 /nfs/dbraw/zinc/05/06/01/1390050601.db2.gz LKVOZYUAWPGANI-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001332218503 1390050606 /nfs/dbraw/zinc/05/06/06/1390050606.db2.gz LKVOZYUAWPGANI-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001332218503 1390050609 /nfs/dbraw/zinc/05/06/09/1390050609.db2.gz LKVOZYUAWPGANI-QUCCMNQESA-N 2 1 343.515 3.054 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001332454052 1390122181 /nfs/dbraw/zinc/12/21/81/1390122181.db2.gz RPGMBOORWAEVIN-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001479687725 1392319791 /nfs/dbraw/zinc/31/97/91/1392319791.db2.gz MCYQNVAJRJCOOL-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479689076 1392320511 /nfs/dbraw/zinc/32/05/11/1392320511.db2.gz OHWKRSUFNWRWGL-SFHVURJKSA-N 2 1 347.547 3.024 10 30 EGEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479688926 1392320761 /nfs/dbraw/zinc/32/07/61/1392320761.db2.gz NHGUINCNMBWPSE-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480256745 1392641280 /nfs/dbraw/zinc/64/12/80/1392641280.db2.gz OBHOSUBFAJSBKF-IBGZPJMESA-N 2 1 349.563 3.413 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829241 1392968725 /nfs/dbraw/zinc/96/87/25/1392968725.db2.gz GWNXCZHUXJSCNW-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001491229643 1394485442 /nfs/dbraw/zinc/48/54/42/1394485442.db2.gz JEPLKWAVNMMHPQ-GOSISDBHSA-N 2 1 335.536 3.023 10 30 EGEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482495635 1395047832 /nfs/dbraw/zinc/04/78/32/1395047832.db2.gz RWESNYXWRVMSRO-HKUYNNGSSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CC[N@@H+]1Cc2ccc(CNC(=O)CCCC[NH+]3CCCC3)cc2C1 ZINC001484875828 1395580736 /nfs/dbraw/zinc/58/07/36/1395580736.db2.gz BCAUVBKUTISWET-UHFFFAOYSA-N 2 1 341.499 3.071 10 30 EGEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)CCCC[NH+]3CCCC3)cc2C1 ZINC001484875828 1395580737 /nfs/dbraw/zinc/58/07/37/1395580737.db2.gz BCAUVBKUTISWET-UHFFFAOYSA-N 2 1 341.499 3.071 10 30 EGEEMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001503763903 1396268252 /nfs/dbraw/zinc/26/82/52/1396268252.db2.gz JHNRWNVINOVLNV-UHFFFAOYSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001495939373 1396573006 /nfs/dbraw/zinc/57/30/06/1396573006.db2.gz RDNXQJWUUPTDPL-LJQANCHMSA-N 2 1 347.547 3.378 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001496321728 1396648933 /nfs/dbraw/zinc/64/89/33/1396648933.db2.gz WVXMTPCZKFGDMO-GOSISDBHSA-N 2 1 337.552 3.195 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145622 1396945620 /nfs/dbraw/zinc/94/56/20/1396945620.db2.gz BVQOWIGNLYAMLA-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145622 1396945625 /nfs/dbraw/zinc/94/56/25/1396945625.db2.gz BVQOWIGNLYAMLA-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689145622 1396945627 /nfs/dbraw/zinc/94/56/27/1396945627.db2.gz BVQOWIGNLYAMLA-HOJAQTOUSA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001689365639 1403706180 /nfs/dbraw/zinc/70/61/80/1403706180.db2.gz JYHOGZIFVGAOLF-IBGZPJMESA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690902347 1404810495 /nfs/dbraw/zinc/81/04/95/1404810495.db2.gz SUZLOVUXOFELFQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690902347 1404810499 /nfs/dbraw/zinc/81/04/99/1404810499.db2.gz SUZLOVUXOFELFQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690902347 1404810504 /nfs/dbraw/zinc/81/05/04/1404810504.db2.gz SUZLOVUXOFELFQ-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149153 1405082926 /nfs/dbraw/zinc/08/29/26/1405082926.db2.gz VONYZOBIPPMHNW-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691149153 1405082929 /nfs/dbraw/zinc/08/29/29/1405082929.db2.gz VONYZOBIPPMHNW-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691149153 1405082932 /nfs/dbraw/zinc/08/29/32/1405082932.db2.gz VONYZOBIPPMHNW-ZWKOTPCHSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691230275 1405169696 /nfs/dbraw/zinc/16/96/96/1405169696.db2.gz YLWACOMTRZYRRX-NLWGTHIKSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001691677894 1405411872 /nfs/dbraw/zinc/41/18/72/1405411872.db2.gz JGHRKACTLHSBBM-PXNSSMCTSA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001691899418 1405622729 /nfs/dbraw/zinc/62/27/29/1405622729.db2.gz XSKJLLNMPALGTK-SBHAEUEKSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001692132053 1405789512 /nfs/dbraw/zinc/78/95/12/1405789512.db2.gz OUIGLVDWSWCRLA-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001698585242 1406201035 /nfs/dbraw/zinc/20/10/35/1406201035.db2.gz CTIWFXUUWGTVGU-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001698585242 1406201038 /nfs/dbraw/zinc/20/10/38/1406201038.db2.gz CTIWFXUUWGTVGU-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001698585242 1406201041 /nfs/dbraw/zinc/20/10/41/1406201041.db2.gz CTIWFXUUWGTVGU-CTNGQTDRSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001732394972 1428562738 /nfs/dbraw/zinc/56/27/38/1428562738.db2.gz VBRNKMHECVIOGM-IBGZPJMESA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001700094446 1413509415 /nfs/dbraw/zinc/50/94/15/1413509415.db2.gz KFMNTCZQMRJWCE-PXNSSMCTSA-N 2 1 343.515 3.404 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001700200334 1413642854 /nfs/dbraw/zinc/64/28/54/1413642854.db2.gz GBBKOTFYTJDZPH-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001700200334 1413642859 /nfs/dbraw/zinc/64/28/59/1413642859.db2.gz GBBKOTFYTJDZPH-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001700200334 1413642861 /nfs/dbraw/zinc/64/28/61/1413642861.db2.gz GBBKOTFYTJDZPH-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001700321386 1413786921 /nfs/dbraw/zinc/78/69/21/1413786921.db2.gz ZXLPXPZFVVGJAR-HKUYNNGSSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001700333083 1413813438 /nfs/dbraw/zinc/81/34/38/1413813438.db2.gz GOEYWRBEJYHMNN-LJQANCHMSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354731 1413853401 /nfs/dbraw/zinc/85/34/01/1413853401.db2.gz UUKNFOLDNJDRMQ-MOPGFXCFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700692579 1414345591 /nfs/dbraw/zinc/34/55/91/1414345591.db2.gz JIXOBKLJZGGMSX-HKUYNNGSSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692579 1414345594 /nfs/dbraw/zinc/34/55/94/1414345594.db2.gz JIXOBKLJZGGMSX-HKUYNNGSSA-N 2 1 335.536 3.137 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700692579 1414345599 /nfs/dbraw/zinc/34/55/99/1414345599.db2.gz JIXOBKLJZGGMSX-HKUYNNGSSA-N 2 1 335.536 3.137 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865259 1414516838 /nfs/dbraw/zinc/51/68/38/1414516838.db2.gz JRCUSIMCSKGBMH-ANTGDGSKSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865259 1414516841 /nfs/dbraw/zinc/51/68/41/1414516841.db2.gz JRCUSIMCSKGBMH-ANTGDGSKSA-N 2 1 349.563 3.410 10 30 EGEEMP CCCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865259 1414516842 /nfs/dbraw/zinc/51/68/42/1414516842.db2.gz JRCUSIMCSKGBMH-ANTGDGSKSA-N 2 1 349.563 3.410 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001700868587 1414521187 /nfs/dbraw/zinc/52/11/87/1414521187.db2.gz RLWGEKLUXRSLMD-ZVDOUQERSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001700868587 1414521190 /nfs/dbraw/zinc/52/11/90/1414521190.db2.gz RLWGEKLUXRSLMD-ZVDOUQERSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131548 1417705478 /nfs/dbraw/zinc/70/54/78/1417705478.db2.gz HALAAKXCZMGTJN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713131548 1417705481 /nfs/dbraw/zinc/70/54/81/1417705481.db2.gz HALAAKXCZMGTJN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713131548 1417705482 /nfs/dbraw/zinc/70/54/82/1417705482.db2.gz HALAAKXCZMGTJN-UYAOXDASSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184993 1417760341 /nfs/dbraw/zinc/76/03/41/1417760341.db2.gz VLFQMBDSUDVMFP-PMACEKPBSA-N 2 1 347.547 3.142 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713268670 1417877310 /nfs/dbraw/zinc/87/73/10/1417877310.db2.gz BLXJYYQZBRZJBP-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398060 1418016587 /nfs/dbraw/zinc/01/65/87/1418016587.db2.gz PXHSYLLXVPRZHE-AZUAARDMSA-N 2 1 349.563 3.384 10 30 EGEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713897398 1418695822 /nfs/dbraw/zinc/69/58/22/1418695822.db2.gz JWHVIURNRUEDNV-DLBZAZTESA-N 2 1 343.943 3.030 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001713993565 1418771561 /nfs/dbraw/zinc/77/15/61/1418771561.db2.gz LWMWTBHFHSLDSU-ZACQAIPSSA-N 2 1 335.536 3.231 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449595 1419182073 /nfs/dbraw/zinc/18/20/73/1419182073.db2.gz XCYNBIZBKWKMCP-ZWKOTPCHSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714449595 1419182077 /nfs/dbraw/zinc/18/20/77/1419182077.db2.gz XCYNBIZBKWKMCP-ZWKOTPCHSA-N 2 1 346.519 3.284 10 30 EGEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001714812955 1419523725 /nfs/dbraw/zinc/52/37/25/1419523725.db2.gz XWVMNFUTVNSJMX-MRXNPFEDSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001716830832 1420958442 /nfs/dbraw/zinc/95/84/42/1420958442.db2.gz XVAKWENNYFIUHT-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830832 1420958444 /nfs/dbraw/zinc/95/84/44/1420958444.db2.gz XVAKWENNYFIUHT-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830832 1420958447 /nfs/dbraw/zinc/95/84/47/1420958447.db2.gz XVAKWENNYFIUHT-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001716886540 1421010166 /nfs/dbraw/zinc/01/01/66/1421010166.db2.gz LDVRTIMKQQTYOX-UHFFFAOYSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717240549 1421208781 /nfs/dbraw/zinc/20/87/81/1421208781.db2.gz BQKUYYNUAFDWPE-GOSISDBHSA-N 2 1 335.536 3.186 10 30 EGEEMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584794 1421511756 /nfs/dbraw/zinc/51/17/56/1421511756.db2.gz CUFBPURMZMCRGW-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584794 1421511758 /nfs/dbraw/zinc/51/17/58/1421511758.db2.gz CUFBPURMZMCRGW-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584794 1421511759 /nfs/dbraw/zinc/51/17/59/1421511759.db2.gz CUFBPURMZMCRGW-MSOLQXFVSA-N 2 1 337.552 3.125 10 30 EGEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001717906383 1421701849 /nfs/dbraw/zinc/70/18/49/1421701849.db2.gz XXKHHDDZJVKWJE-OALUTQOASA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001733458096 1429678438 /nfs/dbraw/zinc/67/84/38/1429678438.db2.gz CCOAVDWOJNFLKK-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001733458096 1429678440 /nfs/dbraw/zinc/67/84/40/1429678440.db2.gz CCOAVDWOJNFLKK-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001733458096 1429678444 /nfs/dbraw/zinc/67/84/44/1429678444.db2.gz CCOAVDWOJNFLKK-AZUAARDMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001723634761 1424501744 /nfs/dbraw/zinc/50/17/44/1424501744.db2.gz QWTQZOQZWCMKCL-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001723634761 1424501746 /nfs/dbraw/zinc/50/17/46/1424501746.db2.gz QWTQZOQZWCMKCL-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001723634761 1424501750 /nfs/dbraw/zinc/50/17/50/1424501750.db2.gz QWTQZOQZWCMKCL-ZCNNSNEGSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001724126993 1424678123 /nfs/dbraw/zinc/67/81/23/1424678123.db2.gz ZXEMKAQTGGFUQV-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126993 1424678126 /nfs/dbraw/zinc/67/81/26/1424678126.db2.gz ZXEMKAQTGGFUQV-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001724126993 1424678129 /nfs/dbraw/zinc/67/81/29/1424678129.db2.gz ZXEMKAQTGGFUQV-PZJWPPBQSA-N 2 1 349.563 3.388 10 30 EGEEMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001724760914 1425131568 /nfs/dbraw/zinc/13/15/68/1425131568.db2.gz URMQKOKWKCECPO-IBGZPJMESA-N 2 1 349.563 3.223 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979100 1425379696 /nfs/dbraw/zinc/37/96/96/1425379696.db2.gz KRGDAYNKYVOOAK-RTBURBONSA-N 2 1 349.563 3.290 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418309 1427392386 /nfs/dbraw/zinc/39/23/86/1427392386.db2.gz VIAVPHPRUXOVOQ-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731502837 1427485091 /nfs/dbraw/zinc/48/50/91/1427485091.db2.gz KIRTZEACVHRRNN-RTBURBONSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731712709 1427773608 /nfs/dbraw/zinc/77/36/08/1427773608.db2.gz KOQYYVLLYQIOIB-HXUWFJFHSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719653 1427787226 /nfs/dbraw/zinc/78/72/26/1427787226.db2.gz MFRHNEWDOVAPNA-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877181 1428142466 /nfs/dbraw/zinc/14/24/66/1428142466.db2.gz PQMGWVUEWVEXEC-SFHVURJKSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001731877181 1428142468 /nfs/dbraw/zinc/14/24/68/1428142468.db2.gz PQMGWVUEWVEXEC-SFHVURJKSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001731877181 1428142470 /nfs/dbraw/zinc/14/24/70/1428142470.db2.gz PQMGWVUEWVEXEC-SFHVURJKSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001731995306 1428203969 /nfs/dbraw/zinc/20/39/69/1428203969.db2.gz FPUFKSLKJLWHJL-SJORKVTESA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607884 1429824737 /nfs/dbraw/zinc/82/47/37/1429824737.db2.gz XKMWEGAXZZFXQO-UXHICEINSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733918508 1437731877 /nfs/dbraw/zinc/73/18/77/1437731877.db2.gz QJEFQMQHDWANHF-UHFFFAOYSA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734103584 1437888679 /nfs/dbraw/zinc/88/86/79/1437888679.db2.gz KIIJNWJVACUKTB-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001734103584 1437888681 /nfs/dbraw/zinc/88/86/81/1437888681.db2.gz KIIJNWJVACUKTB-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001734103584 1437888685 /nfs/dbraw/zinc/88/86/85/1437888685.db2.gz KIIJNWJVACUKTB-OALUTQOASA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001734269604 1437994905 /nfs/dbraw/zinc/99/49/05/1437994905.db2.gz XLDQFSBZJWVEDX-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001734269604 1437994906 /nfs/dbraw/zinc/99/49/06/1437994906.db2.gz XLDQFSBZJWVEDX-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001734269604 1437994911 /nfs/dbraw/zinc/99/49/11/1437994911.db2.gz XLDQFSBZJWVEDX-PKOBYXMFSA-N 2 1 335.536 3.138 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734299881 1438031350 /nfs/dbraw/zinc/03/13/50/1438031350.db2.gz FEYWWONCSACADC-QUCCMNQESA-N 2 1 347.547 3.044 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001734442310 1438104393 /nfs/dbraw/zinc/10/43/93/1438104393.db2.gz PZCSEJCHLJEHJT-FPOVZHCZSA-N 2 1 349.563 3.412 10 30 EGEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000183683243 455320800 /nfs/dbraw/zinc/32/08/00/455320800.db2.gz QISGDPVCYZDUHF-BTYIYWSLSA-N 2 1 346.434 3.437 10 30 EGEEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000600716464 460576059 /nfs/dbraw/zinc/57/60/59/460576059.db2.gz GLCRDSKCGIANAP-FXAWDEMLSA-N 2 1 341.499 3.205 10 30 EGEEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718367 460577918 /nfs/dbraw/zinc/57/79/18/460577918.db2.gz WXXNPROLOCZVCQ-FXAWDEMLSA-N 2 1 341.499 3.205 10 30 EGEEMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1C#N ZINC000135091941 454632989 /nfs/dbraw/zinc/63/29/89/454632989.db2.gz GZKAGVRGCCOVLD-QGZVFWFLSA-N 2 1 336.439 3.204 10 30 EGEEMP C[C@@H]1C[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298514 454882323 /nfs/dbraw/zinc/88/23/23/454882323.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 1 340.389 3.351 10 30 EGEEMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756701 455373783 /nfs/dbraw/zinc/37/37/83/455373783.db2.gz OTQAYSUJKBYDCJ-MAUKXSAKSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756701 455373787 /nfs/dbraw/zinc/37/37/87/455373787.db2.gz OTQAYSUJKBYDCJ-MAUKXSAKSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756701 455373790 /nfs/dbraw/zinc/37/37/90/455373790.db2.gz OTQAYSUJKBYDCJ-MAUKXSAKSA-N 2 1 332.488 3.291 10 30 EGEEMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054046 458327080 /nfs/dbraw/zinc/32/70/80/458327080.db2.gz PLMVPHRCCMBXJH-QZTJIDSGSA-N 2 1 330.472 3.093 10 30 EGEEMP C=CCc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc(OC)c1O ZINC000527807957 459742788 /nfs/dbraw/zinc/74/27/88/459742788.db2.gz OGJGTNBOJVBOCZ-SFHVURJKSA-N 2 1 330.472 3.236 10 30 EGEEMP C=CCc1cc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c(O)c(OC)c1 ZINC000872669308 1297048102 /nfs/dbraw/zinc/04/81/02/1297048102.db2.gz FYHPVLZGQCUCBA-UHFFFAOYSA-N 2 1 332.488 3.436 10 30 EGEEMP C#CCCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019003 1300320824 /nfs/dbraw/zinc/32/08/24/1300320824.db2.gz MDKJFZKZZVDIOL-FQEVSTJZSA-N 2 1 329.488 3.180 10 30 EGEEMP C#CCCCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019003 1300320833 /nfs/dbraw/zinc/32/08/33/1300320833.db2.gz MDKJFZKZZVDIOL-FQEVSTJZSA-N 2 1 329.488 3.180 10 30 EGEEMP C#CCCCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019003 1300320843 /nfs/dbraw/zinc/32/08/43/1300320843.db2.gz MDKJFZKZZVDIOL-FQEVSTJZSA-N 2 1 329.488 3.180 10 30 EGEEMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000883167258 1302281469 /nfs/dbraw/zinc/28/14/69/1302281469.db2.gz UDLZMDSBIXTSHK-RTWAWAEBSA-N 2 1 344.499 3.122 10 30 EGEEMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1Cc2ccccc2O1 ZINC000883189974 1302296037 /nfs/dbraw/zinc/29/60/37/1302296037.db2.gz SGASWDVMLKFPBK-ICSRJNTNSA-N 2 1 344.499 3.025 10 30 EGEEMP C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895415476 1309327720 /nfs/dbraw/zinc/32/77/20/1309327720.db2.gz NCUFZXHVNGBRLU-BQJUDKOJSA-N 2 1 326.484 3.058 10 30 EGEEMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000865437001 1329697290 /nfs/dbraw/zinc/69/72/90/1329697290.db2.gz WIIRGIFFGIKXOE-UHFFFAOYSA-N 2 1 340.515 3.368 10 30 EGEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853250 1331221181 /nfs/dbraw/zinc/22/11/81/1331221181.db2.gz PCKYYEXAUFNHNT-SFHVURJKSA-N 2 1 340.471 3.049 10 30 EGEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001323722616 1387432630 /nfs/dbraw/zinc/43/26/30/1387432630.db2.gz QVDWLZGCZWGBMJ-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001323722616 1387432634 /nfs/dbraw/zinc/43/26/34/1387432634.db2.gz QVDWLZGCZWGBMJ-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP CC#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001323722616 1387432639 /nfs/dbraw/zinc/43/26/39/1387432639.db2.gz QVDWLZGCZWGBMJ-FQEVSTJZSA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974485 1387863130 /nfs/dbraw/zinc/86/31/30/1387863130.db2.gz ABNYOUZDHMJUJH-FPOVZHCZSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001325630190 1388015817 /nfs/dbraw/zinc/01/58/17/1388015817.db2.gz SXDZTBBWZRNEAN-OBKDMQGPSA-N 2 1 349.563 3.287 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001326566670 1388242337 /nfs/dbraw/zinc/24/23/37/1388242337.db2.gz MZNUBLYRSZAEPX-IHPCNDPISA-N 2 1 343.515 3.130 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238046 1377241605 /nfs/dbraw/zinc/24/16/05/1377241605.db2.gz JHESGOHFBCMUOQ-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079294 1388662581 /nfs/dbraw/zinc/66/25/81/1388662581.db2.gz ABNSICZLSXLSCQ-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001328079294 1388662582 /nfs/dbraw/zinc/66/25/82/1388662582.db2.gz ABNSICZLSXLSCQ-ROUUACIJSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781033 1388859345 /nfs/dbraw/zinc/85/93/45/1388859345.db2.gz QFRAXPIGLPMOCH-QUCCMNQESA-N 2 1 349.563 3.384 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001316670532 1384514002 /nfs/dbraw/zinc/51/40/02/1384514002.db2.gz PGBZUUAGWDADTI-MOPGFXCFSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001317725863 1385425152 /nfs/dbraw/zinc/42/51/52/1385425152.db2.gz XSTSBEZZZLAIDY-PMACEKPBSA-N 2 1 343.515 3.273 10 30 EGEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001319651952 1386233914 /nfs/dbraw/zinc/23/39/14/1386233914.db2.gz SGPPBQHNFVKXIA-OALUTQOASA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319818758 1386314645 /nfs/dbraw/zinc/31/46/45/1386314645.db2.gz QQTQWSQARVAWLE-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001698704692 1406346700 /nfs/dbraw/zinc/34/67/00/1406346700.db2.gz XTZDCZFLBIJWPK-ICSRJNTNSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001698739503 1406390108 /nfs/dbraw/zinc/39/01/08/1406390108.db2.gz UERMGKWPODTPER-UHFFFAOYSA-N 2 1 349.563 3.367 10 30 EGEEMP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001333191641 1390264419 /nfs/dbraw/zinc/26/44/19/1390264419.db2.gz JUPLMGKWIYOMPO-HDICACEKSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001488741665 1391713426 /nfs/dbraw/zinc/71/34/26/1391713426.db2.gz OYSPZGVCSZFUCZ-XSYGEPLQSA-N 2 1 347.547 3.233 10 30 EGEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001479747629 1392364442 /nfs/dbraw/zinc/36/44/42/1392364442.db2.gz CMAAPUXVIWDBBO-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747629 1392364444 /nfs/dbraw/zinc/36/44/44/1392364444.db2.gz CMAAPUXVIWDBBO-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001479747629 1392364448 /nfs/dbraw/zinc/36/44/48/1392364448.db2.gz CMAAPUXVIWDBBO-RTBURBONSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001480403097 1392741265 /nfs/dbraw/zinc/74/12/65/1392741265.db2.gz NTGMGTJNSCIXFT-LWSMDNFKSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480828337 1392967779 /nfs/dbraw/zinc/96/77/79/1392967779.db2.gz OUXOSZRRDPHGAG-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480828337 1392967780 /nfs/dbraw/zinc/96/77/80/1392967780.db2.gz OUXOSZRRDPHGAG-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480828337 1392967785 /nfs/dbraw/zinc/96/77/85/1392967785.db2.gz OUXOSZRRDPHGAG-UYAOXDASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCC1 ZINC001698884072 1406616758 /nfs/dbraw/zinc/61/67/58/1406616758.db2.gz JDKNMVDPDLIPME-CTNGQTDRSA-N 2 1 347.547 3.093 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001698935170 1406674461 /nfs/dbraw/zinc/67/44/61/1406674461.db2.gz NRHYOSCDPQNADM-HKUYNNGSSA-N 2 1 346.519 3.155 10 30 EGEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360361 1394200207 /nfs/dbraw/zinc/20/02/07/1394200207.db2.gz RBEPOBXNONMKLC-PMACEKPBSA-N 2 1 343.515 3.085 10 30 EGEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491219811 1394478164 /nfs/dbraw/zinc/47/81/64/1394478164.db2.gz YYVKIJLZBVJWEL-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001698955515 1406702839 /nfs/dbraw/zinc/70/28/39/1406702839.db2.gz PFDKENDQQSNBBN-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001698955515 1406702840 /nfs/dbraw/zinc/70/28/40/1406702840.db2.gz PFDKENDQQSNBBN-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001698955515 1406702842 /nfs/dbraw/zinc/70/28/42/1406702842.db2.gz PFDKENDQQSNBBN-WOJBJXKFSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485476046 1395953963 /nfs/dbraw/zinc/95/39/63/1395953963.db2.gz HLOAYUAUQYLNJH-VAMGGRTRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476046 1395953970 /nfs/dbraw/zinc/95/39/70/1395953970.db2.gz HLOAYUAUQYLNJH-VAMGGRTRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476046 1395953972 /nfs/dbraw/zinc/95/39/72/1395953972.db2.gz HLOAYUAUQYLNJH-VAMGGRTRSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001485514704 1395992840 /nfs/dbraw/zinc/99/28/40/1395992840.db2.gz CSGQNIDYDUFDDI-KRWDZBQOSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573610 1396039656 /nfs/dbraw/zinc/03/96/56/1396039656.db2.gz CYAFANBUHZUKQO-IAGOWNOFSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690902543 1404810032 /nfs/dbraw/zinc/81/00/32/1404810032.db2.gz WSGOOWOJQYHCSN-QGZVFWFLSA-N 2 1 340.471 3.193 10 30 EGEEMP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691637114 1405373019 /nfs/dbraw/zinc/37/30/19/1405373019.db2.gz SNGIEMGYKVEKKO-RTBURBONSA-N 2 1 337.552 3.269 10 30 EGEEMP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691637112 1405373371 /nfs/dbraw/zinc/37/33/71/1405373371.db2.gz SNGIEMGYKVEKKO-OALUTQOASA-N 2 1 337.552 3.269 10 30 EGEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691745915 1405466565 /nfs/dbraw/zinc/46/65/65/1405466565.db2.gz WISNTFQYAPVNIO-AKHDSKFASA-N 2 1 335.536 3.088 10 30 EGEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001692027387 1405746143 /nfs/dbraw/zinc/74/61/43/1405746143.db2.gz UFIGCYOUUBEXQG-OTWHNJEPSA-N 2 1 335.536 3.042 10 30 EGEEMP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001692132052 1405789247 /nfs/dbraw/zinc/78/92/47/1405789247.db2.gz OUIGLVDWSWCRLA-OALUTQOASA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001699977349 1413420802 /nfs/dbraw/zinc/42/08/02/1413420802.db2.gz FGJDRPVZNGRVKK-AKHDSKFASA-N 2 1 347.547 3.042 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001700196329 1413638342 /nfs/dbraw/zinc/63/83/42/1413638342.db2.gz DEGNNARUFSXHEI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196329 1413638344 /nfs/dbraw/zinc/63/83/44/1413638344.db2.gz DEGNNARUFSXHEI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700196329 1413638345 /nfs/dbraw/zinc/63/83/45/1413638345.db2.gz DEGNNARUFSXHEI-VQTJNVASSA-N 2 1 349.563 3.245 10 30 EGEEMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700200333 1413643191 /nfs/dbraw/zinc/64/31/91/1413643191.db2.gz GBBKOTFYTJDZPH-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001700200333 1413643195 /nfs/dbraw/zinc/64/31/95/1413643195.db2.gz GBBKOTFYTJDZPH-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001700200333 1413643197 /nfs/dbraw/zinc/64/31/97/1413643197.db2.gz GBBKOTFYTJDZPH-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001700281750 1413726750 /nfs/dbraw/zinc/72/67/50/1413726750.db2.gz GWPMIEOLPGWSJD-LJQANCHMSA-N 2 1 347.547 3.330 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293610 1413750592 /nfs/dbraw/zinc/75/05/92/1413750592.db2.gz UFPARILCWQAONV-ROUUACIJSA-N 2 1 337.552 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293611 1413751267 /nfs/dbraw/zinc/75/12/67/1413751267.db2.gz UFPARILCWQAONV-ZWKOTPCHSA-N 2 1 337.552 3.290 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359668 1413869707 /nfs/dbraw/zinc/86/97/07/1413869707.db2.gz RSBQMZWZIVRFBB-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700359668 1413869711 /nfs/dbraw/zinc/86/97/11/1413869711.db2.gz RSBQMZWZIVRFBB-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700359668 1413869716 /nfs/dbraw/zinc/86/97/16/1413869716.db2.gz RSBQMZWZIVRFBB-ZWKOTPCHSA-N 2 1 337.552 3.242 10 30 EGEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001701011492 1414671516 /nfs/dbraw/zinc/67/15/16/1414671516.db2.gz QLLWRVISNVNTQT-PXNSSMCTSA-N 2 1 343.515 3.082 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001707199446 1417241178 /nfs/dbraw/zinc/24/11/78/1417241178.db2.gz CKACEFRSVIFLEP-CEXWTWQISA-N 2 1 335.536 3.186 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001707205330 1417244532 /nfs/dbraw/zinc/24/45/32/1417244532.db2.gz WRZIWRDXXMMXNZ-IPMKNSEASA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713258017 1417862649 /nfs/dbraw/zinc/86/26/49/1417862649.db2.gz OMSZMBSOICYILV-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713263393 1417871385 /nfs/dbraw/zinc/87/13/85/1417871385.db2.gz LWQYQUIZNADIFG-RTBURBONSA-N 2 1 335.536 3.188 10 30 EGEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713394949 1418010408 /nfs/dbraw/zinc/01/04/08/1418010408.db2.gz ZCDPZAROBDVQQD-IBGZPJMESA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507246 1418231422 /nfs/dbraw/zinc/23/14/22/1418231422.db2.gz LJDHALTVVQWMFA-DOTOQJQBSA-N 2 1 349.544 3.359 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001713507246 1418231433 /nfs/dbraw/zinc/23/14/33/1418231433.db2.gz LJDHALTVVQWMFA-DOTOQJQBSA-N 2 1 349.544 3.359 10 30 EGEEMP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001713857090 1418653544 /nfs/dbraw/zinc/65/35/44/1418653544.db2.gz HQQBLYOQKUPPAA-OALUTQOASA-N 2 1 349.563 3.386 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180846 1429282396 /nfs/dbraw/zinc/28/23/96/1429282396.db2.gz MIQJJEGDIBLKHQ-VQTJNVASSA-N 2 1 347.547 3.234 10 30 EGEEMP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001714190945 1418997739 /nfs/dbraw/zinc/99/77/39/1418997739.db2.gz RMZBOUIVNOTEKN-CTWPCTMYSA-N 2 1 335.536 3.090 10 30 EGEEMP C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001715194054 1419925906 /nfs/dbraw/zinc/92/59/06/1419925906.db2.gz IZAJJTKRGLDDCD-UHFFFAOYSA-N 2 1 343.515 3.231 10 30 EGEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715456549 1420137591 /nfs/dbraw/zinc/13/75/91/1420137591.db2.gz LRPAPDBUHGBBMW-IRXDYDNUSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715484295 1420163972 /nfs/dbraw/zinc/16/39/72/1420163972.db2.gz GICLPUVTCAJZMB-VQTJNVASSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716516074 1420745636 /nfs/dbraw/zinc/74/56/36/1420745636.db2.gz MWRWJTPUWIUPHM-UYAOXDASSA-N 2 1 349.563 3.482 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001716712775 1420865385 /nfs/dbraw/zinc/86/53/85/1420865385.db2.gz XSFSPFQWYBCCMU-OTWHNJEPSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001716712775 1420865388 /nfs/dbraw/zinc/86/53/88/1420865388.db2.gz XSFSPFQWYBCCMU-OTWHNJEPSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001716712775 1420865392 /nfs/dbraw/zinc/86/53/92/1420865392.db2.gz XSFSPFQWYBCCMU-OTWHNJEPSA-N 2 1 335.536 3.138 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001716830829 1420958455 /nfs/dbraw/zinc/95/84/55/1420958455.db2.gz XVAKWENNYFIUHT-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830829 1420958458 /nfs/dbraw/zinc/95/84/58/1420958458.db2.gz XVAKWENNYFIUHT-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001716830829 1420958459 /nfs/dbraw/zinc/95/84/59/1420958459.db2.gz XVAKWENNYFIUHT-CTNGQTDRSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716874483 1421001170 /nfs/dbraw/zinc/00/11/70/1421001170.db2.gz DPTFZNSGUAZHLT-FXAWDEMLSA-N 2 1 346.519 3.189 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001716885553 1421008945 /nfs/dbraw/zinc/00/89/45/1421008945.db2.gz VMVGHZYPHWHNMB-QGZVFWFLSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001716903210 1421036282 /nfs/dbraw/zinc/03/62/82/1421036282.db2.gz ZQFODATVGFLEMN-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001716903210 1421036283 /nfs/dbraw/zinc/03/62/83/1421036283.db2.gz ZQFODATVGFLEMN-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001716903210 1421036284 /nfs/dbraw/zinc/03/62/84/1421036284.db2.gz ZQFODATVGFLEMN-UYAOXDASSA-N 2 1 335.536 3.045 10 30 EGEEMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001717115256 1421119206 /nfs/dbraw/zinc/11/92/06/1421119206.db2.gz KHLVDWYPNXNKDE-LPHOPBHVSA-N 2 1 329.488 3.014 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001717127869 1421129313 /nfs/dbraw/zinc/12/93/13/1421129313.db2.gz FYQYMLRUQQBDOR-OALUTQOASA-N 2 1 347.547 3.138 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717201651 1421169568 /nfs/dbraw/zinc/16/95/68/1421169568.db2.gz ZYYVVJASKZNDLW-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201651 1421169569 /nfs/dbraw/zinc/16/95/69/1421169569.db2.gz ZYYVVJASKZNDLW-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201651 1421169571 /nfs/dbraw/zinc/16/95/71/1421169571.db2.gz ZYYVVJASKZNDLW-VQTJNVASSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001717215950 1421193578 /nfs/dbraw/zinc/19/35/78/1421193578.db2.gz BFAVTZIWHOPEJL-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215950 1421193579 /nfs/dbraw/zinc/19/35/79/1421193579.db2.gz BFAVTZIWHOPEJL-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215950 1421193580 /nfs/dbraw/zinc/19/35/80/1421193580.db2.gz BFAVTZIWHOPEJL-WOJBJXKFSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001717299141 1421242035 /nfs/dbraw/zinc/24/20/35/1421242035.db2.gz JEJAETJHAFZWQD-UHFFFAOYSA-N 2 1 335.536 3.186 10 30 EGEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717304820 1421246440 /nfs/dbraw/zinc/24/64/40/1421246440.db2.gz TVSPJACYRGQLTB-IBGZPJMESA-N 2 1 343.515 3.226 10 30 EGEEMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001717901489 1421697842 /nfs/dbraw/zinc/69/78/42/1421697842.db2.gz DDQSEXLUBQJADQ-FUHWJXTLSA-N 2 1 346.519 3.153 10 30 EGEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001717964813 1421736510 /nfs/dbraw/zinc/73/65/10/1421736510.db2.gz DZLAKXWAUWUGGH-QZTJIDSGSA-N 2 1 337.552 3.195 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001733458380 1429678684 /nfs/dbraw/zinc/67/86/84/1429678684.db2.gz DXHHFRHLGZZECW-IBGZPJMESA-N 2 1 349.544 3.218 10 30 EGEEMP C=CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723641160 1424508591 /nfs/dbraw/zinc/50/85/91/1424508591.db2.gz QMTMMKRTYXBOHH-UHFFFAOYSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001723679772 1424527565 /nfs/dbraw/zinc/52/75/65/1424527565.db2.gz MNOFRKGDOMEJOP-TZIWHRDSSA-N 2 1 349.563 3.388 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724126005 1424676851 /nfs/dbraw/zinc/67/68/51/1424676851.db2.gz NQAPBSLCKKJVCI-OAQYLSRUSA-N 2 1 349.563 3.389 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724339983 1424832806 /nfs/dbraw/zinc/83/28/06/1424832806.db2.gz HJFLBBOOGDVHRL-GHTZIAJQSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001733566658 1429768314 /nfs/dbraw/zinc/76/83/14/1429768314.db2.gz YMLJRRQEXQPYBG-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001733566658 1429768315 /nfs/dbraw/zinc/76/83/15/1429768315.db2.gz YMLJRRQEXQPYBG-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001733566658 1429768316 /nfs/dbraw/zinc/76/83/16/1429768316.db2.gz YMLJRRQEXQPYBG-YRPNKDGESA-N 2 1 347.547 3.186 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724730432 1425082529 /nfs/dbraw/zinc/08/25/29/1425082529.db2.gz VLDSCZVEPZAUSK-RBUKOAKNSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001724740957 1425106447 /nfs/dbraw/zinc/10/64/47/1425106447.db2.gz MRIFNPCNZSWFEO-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001724740957 1425106449 /nfs/dbraw/zinc/10/64/49/1425106449.db2.gz MRIFNPCNZSWFEO-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001724740957 1425106457 /nfs/dbraw/zinc/10/64/57/1425106457.db2.gz MRIFNPCNZSWFEO-GOSISDBHSA-N 2 1 343.515 3.043 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725048120 1425478755 /nfs/dbraw/zinc/47/87/55/1425478755.db2.gz OZSPFFVBKPEXFI-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001725227749 1425797266 /nfs/dbraw/zinc/79/72/66/1425797266.db2.gz BLLPVIXRMTYQJV-MOPGFXCFSA-N 2 1 347.547 3.378 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001725640786 1426318510 /nfs/dbraw/zinc/31/85/10/1426318510.db2.gz YPIGEDIZBUFDEK-MOPGFXCFSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418312 1427392111 /nfs/dbraw/zinc/39/21/11/1427392111.db2.gz VIAVPHPRUXOVOQ-RTBURBONSA-N 2 1 349.563 3.386 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731502835 1427485069 /nfs/dbraw/zinc/48/50/69/1427485069.db2.gz KIRTZEACVHRRNN-RBUKOAKNSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719655 1427787359 /nfs/dbraw/zinc/78/73/59/1427787359.db2.gz MFRHNEWDOVAPNA-OALUTQOASA-N 2 1 335.536 3.140 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001734208671 1437943953 /nfs/dbraw/zinc/94/39/53/1437943953.db2.gz GPIYLSRTZKNONE-CGBFIWBNSA-N 2 1 347.547 3.233 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001750930892 1440113062 /nfs/dbraw/zinc/11/30/62/1440113062.db2.gz ASWIZBICVZIKBM-PMACEKPBSA-N 2 1 349.563 3.386 10 30 EGEEMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123288875 162254811 /nfs/dbraw/zinc/25/48/11/162254811.db2.gz VMRUTZFCBNFGKN-UHFFFAOYSA-N 2 1 347.466 3.336 10 30 EGEEMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000130519810 162370707 /nfs/dbraw/zinc/37/07/07/162370707.db2.gz NNKJLKSDUMGEBI-KRWDZBQOSA-N 2 1 336.439 3.204 10 30 EGEEMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(OC(F)F)c1 ZINC000437155528 270051435 /nfs/dbraw/zinc/05/14/35/270051435.db2.gz MPWDVDPTJYOQJT-UHFFFAOYSA-N 2 1 349.425 3.467 10 30 EGEEMP N#Cc1cnccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000592123147 459528863 /nfs/dbraw/zinc/52/88/63/459528863.db2.gz XQXQNTTXZFXCLA-UHFFFAOYSA-N 2 1 346.478 3.441 10 30 EGEEMP N#Cc1cnccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000592123147 459528864 /nfs/dbraw/zinc/52/88/64/459528864.db2.gz XQXQNTTXZFXCLA-UHFFFAOYSA-N 2 1 346.478 3.441 10 30 EGEEMP C=CCCC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265647540 534711526 /nfs/dbraw/zinc/71/15/26/534711526.db2.gz UGTINHSDIHCUOW-SFHVURJKSA-N 2 1 343.515 3.054 10 30 EGEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719625 1298935813 /nfs/dbraw/zinc/93/58/13/1298935813.db2.gz QAARKDXSFDYKDL-RHSMWYFYSA-N 2 1 335.879 3.469 10 30 EGEEMP C[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809305 1328707066 /nfs/dbraw/zinc/70/70/66/1328707066.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 1 334.467 3.438 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001323860924 1387482116 /nfs/dbraw/zinc/48/21/16/1387482116.db2.gz YSRLWJJBHKBTAT-AZUAARDMSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661890 1387722536 /nfs/dbraw/zinc/72/25/36/1387722536.db2.gz QNGDAJPXRIMDGB-YLJYHZDGSA-N 2 1 335.536 3.042 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001324947016 1387843872 /nfs/dbraw/zinc/84/38/72/1387843872.db2.gz GPNLUXBMPUVCGX-NRFANRHFSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001324947016 1387843875 /nfs/dbraw/zinc/84/38/75/1387843875.db2.gz GPNLUXBMPUVCGX-NRFANRHFSA-N 2 1 349.563 3.435 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001324947016 1387843877 /nfs/dbraw/zinc/84/38/77/1387843877.db2.gz GPNLUXBMPUVCGX-NRFANRHFSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)(C)C)cc1 ZINC001192052246 1367675636 /nfs/dbraw/zinc/67/56/36/1367675636.db2.gz DFBWWKJVFBWVBQ-GOSISDBHSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@H+](C)CC)C(C)(C)C)cc1 ZINC001192052246 1367675640 /nfs/dbraw/zinc/67/56/40/1367675640.db2.gz DFBWWKJVFBWVBQ-GOSISDBHSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C)cc1 ZINC001192052246 1367675644 /nfs/dbraw/zinc/67/56/44/1367675644.db2.gz DFBWWKJVFBWVBQ-GOSISDBHSA-N 2 1 334.504 3.165 10 30 EGEEMP C=CCOc1ccc(C[N@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C)cc1 ZINC001192052246 1367675648 /nfs/dbraw/zinc/67/56/48/1367675648.db2.gz DFBWWKJVFBWVBQ-GOSISDBHSA-N 2 1 334.504 3.165 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742323 1371396714 /nfs/dbraw/zinc/39/67/14/1371396714.db2.gz ILOIVLRZTBRDLM-DNVCBOLYSA-N 2 1 349.906 3.438 10 30 EGEEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742323 1371396724 /nfs/dbraw/zinc/39/67/24/1371396724.db2.gz ILOIVLRZTBRDLM-DNVCBOLYSA-N 2 1 349.906 3.438 10 30 EGEEMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127923 1388391713 /nfs/dbraw/zinc/39/17/13/1388391713.db2.gz ZBDSHEKWUOEDEB-UXHICEINSA-N 2 1 347.547 3.045 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001327173899 1388422821 /nfs/dbraw/zinc/42/28/21/1388422821.db2.gz VJTXVYBYKSMREP-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001327173899 1388422825 /nfs/dbraw/zinc/42/28/25/1388422825.db2.gz VJTXVYBYKSMREP-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001327173899 1388422828 /nfs/dbraw/zinc/42/28/28/1388422828.db2.gz VJTXVYBYKSMREP-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001327173899 1388422833 /nfs/dbraw/zinc/42/28/33/1388422833.db2.gz VJTXVYBYKSMREP-FQEVSTJZSA-N 2 1 343.515 3.055 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001281940511 1378460662 /nfs/dbraw/zinc/46/06/62/1378460662.db2.gz UAVKMZYGVLBPFV-KRWDZBQOSA-N 2 1 349.544 3.312 10 30 EGEEMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001328283766 1388714493 /nfs/dbraw/zinc/71/44/93/1388714493.db2.gz MFQSMNRXHYLKOG-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001328283766 1388714495 /nfs/dbraw/zinc/71/44/95/1388714495.db2.gz MFQSMNRXHYLKOG-AEFFLSMTSA-N 2 1 334.508 3.131 10 30 EGEEMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001316712862 1384534854 /nfs/dbraw/zinc/53/48/54/1384534854.db2.gz CAVUQRHSYPQEQE-AQNXPRMDSA-N 2 1 349.563 3.434 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CCC ZINC001316722778 1384542408 /nfs/dbraw/zinc/54/24/08/1384542408.db2.gz NZSRBUGSSGAZIJ-YZGWKJHDSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001316722778 1384542410 /nfs/dbraw/zinc/54/24/10/1384542410.db2.gz NZSRBUGSSGAZIJ-YZGWKJHDSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001316722778 1384542413 /nfs/dbraw/zinc/54/24/13/1384542413.db2.gz NZSRBUGSSGAZIJ-YZGWKJHDSA-N 2 1 349.563 3.290 10 30 EGEEMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001316879332 1384664527 /nfs/dbraw/zinc/66/45/27/1384664527.db2.gz KHIAIKQUSKTXAT-IEBWSBKVSA-N 2 1 346.519 3.297 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317035603 1384805236 /nfs/dbraw/zinc/80/52/36/1384805236.db2.gz NLZWYTIIKLKIOQ-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035603 1384805235 /nfs/dbraw/zinc/80/52/35/1384805235.db2.gz NLZWYTIIKLKIOQ-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317035603 1384805237 /nfs/dbraw/zinc/80/52/37/1384805237.db2.gz NLZWYTIIKLKIOQ-RBUKOAKNSA-N 2 1 337.552 3.221 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317159588 1384923442 /nfs/dbraw/zinc/92/34/42/1384923442.db2.gz IXTYIWKKGJRHSG-MOPGFXCFSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791144 1385484290 /nfs/dbraw/zinc/48/42/90/1385484290.db2.gz ZRPDWMDAKRQXFZ-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317791144 1385484292 /nfs/dbraw/zinc/48/42/92/1385484292.db2.gz ZRPDWMDAKRQXFZ-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001317791144 1385484294 /nfs/dbraw/zinc/48/42/94/1385484294.db2.gz ZRPDWMDAKRQXFZ-OALUTQOASA-N 2 1 347.547 3.045 10 30 EGEEMP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001319398759 1386103919 /nfs/dbraw/zinc/10/39/19/1386103919.db2.gz ZTLPHDCXEBGBJG-RTBURBONSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319818760 1386314539 /nfs/dbraw/zinc/31/45/39/1386314539.db2.gz QQTQWSQARVAWLE-ROUUACIJSA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001329229922 1389028496 /nfs/dbraw/zinc/02/84/96/1389028496.db2.gz DEJKNZBXJWTCQO-WWDZGPRUSA-N 2 1 346.519 3.332 10 30 EGEEMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001329242949 1389032676 /nfs/dbraw/zinc/03/26/76/1389032676.db2.gz HRHZFVZJRFDWGD-HDYDNRTBSA-N 2 1 349.563 3.434 10 30 EGEEMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329954716 1389273032 /nfs/dbraw/zinc/27/30/32/1389273032.db2.gz UXUDGSKVGNEXHS-UXHICEINSA-N 2 1 349.563 3.434 10 30 EGEEMP CCCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001330500028 1389432717 /nfs/dbraw/zinc/43/27/17/1389432717.db2.gz QYBCZAAJJVHATA-GOSISDBHSA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001330524997 1389442843 /nfs/dbraw/zinc/44/28/43/1389442843.db2.gz JYCNVXHKIIZVMX-SESVDKBCSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001330524997 1389442849 /nfs/dbraw/zinc/44/28/49/1389442849.db2.gz JYCNVXHKIIZVMX-SESVDKBCSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001330524997 1389442852 /nfs/dbraw/zinc/44/28/52/1389442852.db2.gz JYCNVXHKIIZVMX-SESVDKBCSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332217169 1390048778 /nfs/dbraw/zinc/04/87/78/1390048778.db2.gz GTJMKFIHXJSZNN-MOPGFXCFSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272709 1392655640 /nfs/dbraw/zinc/65/56/40/1392655640.db2.gz YJUGDICZZDRDRS-UXHICEINSA-N 2 1 349.563 3.291 10 30 EGEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480301599 1392666798 /nfs/dbraw/zinc/66/67/98/1392666798.db2.gz XEFUAXWMNOYILF-UYAOXDASSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829240 1392968677 /nfs/dbraw/zinc/96/86/77/1392968677.db2.gz GWNXCZHUXJSCNW-RBUKOAKNSA-N 2 1 335.536 3.188 10 30 EGEEMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481733930 1394482069 /nfs/dbraw/zinc/48/20/69/1394482069.db2.gz BZQZFHYPKKMRLW-GOSISDBHSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481978359 1394639931 /nfs/dbraw/zinc/63/99/31/1394639931.db2.gz GWVUNLDBQXVXTE-SFHVURJKSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481986767 1394649098 /nfs/dbraw/zinc/64/90/98/1394649098.db2.gz WBVZYQKCFVDNHR-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001482246747 1394844204 /nfs/dbraw/zinc/84/42/04/1394844204.db2.gz QWYRVVRZOSDYQR-RBUKOAKNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001501170396 1396189153 /nfs/dbraw/zinc/18/91/53/1396189153.db2.gz UEILHJCGQWUGJL-HAGHYFMRSA-N 2 1 347.547 3.186 10 30 EGEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878254 1396506859 /nfs/dbraw/zinc/50/68/59/1396506859.db2.gz XYEVPWSMJHQRSG-AZUAARDMSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494878254 1396506860 /nfs/dbraw/zinc/50/68/60/1396506860.db2.gz XYEVPWSMJHQRSG-AZUAARDMSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494878254 1396506862 /nfs/dbraw/zinc/50/68/62/1396506862.db2.gz XYEVPWSMJHQRSG-AZUAARDMSA-N 2 1 343.515 3.006 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494878254 1396506866 /nfs/dbraw/zinc/50/68/66/1396506866.db2.gz XYEVPWSMJHQRSG-AZUAARDMSA-N 2 1 343.515 3.006 10 30 EGEEMP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001689055931 1396856058 /nfs/dbraw/zinc/85/60/58/1396856058.db2.gz NFZLBPIIJUEODQ-MJGOQNOKSA-N 2 1 346.519 3.155 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001689222464 1396980786 /nfs/dbraw/zinc/98/07/86/1396980786.db2.gz QMZACZKNUXXUQJ-MOPGFXCFSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001689222464 1396980787 /nfs/dbraw/zinc/98/07/87/1396980787.db2.gz QMZACZKNUXXUQJ-MOPGFXCFSA-N 2 1 349.563 3.221 10 30 EGEEMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001689222464 1396980790 /nfs/dbraw/zinc/98/07/90/1396980790.db2.gz QMZACZKNUXXUQJ-MOPGFXCFSA-N 2 1 349.563 3.221 10 30 EGEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690216080 1404424155 /nfs/dbraw/zinc/42/41/55/1404424155.db2.gz IYASQYJRNOXIQX-HAGHYFMRSA-N 2 1 347.547 3.137 10 30 EGEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001690910791 1404820831 /nfs/dbraw/zinc/82/08/31/1404820831.db2.gz UPKIPJWNKSLWBA-LJQANCHMSA-N 2 1 335.536 3.045 10 30 EGEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001725783770 1426469123 /nfs/dbraw/zinc/46/91/23/1426469123.db2.gz YFFMTNVPYPHJCP-UUKMXZOPSA-N 2 1 347.547 3.329 10 30 EGEEMP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699672844 1413064100 /nfs/dbraw/zinc/06/41/00/1413064100.db2.gz FTNGDIQFDUEDME-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672844 1413064103 /nfs/dbraw/zinc/06/41/03/1413064103.db2.gz FTNGDIQFDUEDME-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001699672844 1413064107 /nfs/dbraw/zinc/06/41/07/1413064107.db2.gz FTNGDIQFDUEDME-ICSRJNTNSA-N 2 1 347.547 3.140 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001699714178 1413127622 /nfs/dbraw/zinc/12/76/22/1413127622.db2.gz BOGIQKICVFBUSK-QZTJIDSGSA-N 2 1 347.547 3.138 10 30 EGEEMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844249 1413272750 /nfs/dbraw/zinc/27/27/50/1413272750.db2.gz KBFSXROILAJGGP-FXAWDEMLSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001700340793 1413822239 /nfs/dbraw/zinc/82/22/39/1413822239.db2.gz BUKCWFPRAWNNDJ-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700340793 1413822250 /nfs/dbraw/zinc/82/22/50/1413822250.db2.gz BUKCWFPRAWNNDJ-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@@H](C)[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001700340793 1413822256 /nfs/dbraw/zinc/82/22/56/1413822256.db2.gz BUKCWFPRAWNNDJ-RTBURBONSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[NH2+]C1(CNC(=O)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001701012905 1414673914 /nfs/dbraw/zinc/67/39/14/1414673914.db2.gz RITZLAHEFWDCTA-UHFFFAOYSA-N 2 1 343.515 3.103 10 30 EGEEMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001707249408 1417265821 /nfs/dbraw/zinc/26/58/21/1417265821.db2.gz NDTGARNSJQUPEY-CEXWTWQISA-N 2 1 337.552 3.409 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001707249408 1417265822 /nfs/dbraw/zinc/26/58/22/1417265822.db2.gz NDTGARNSJQUPEY-CEXWTWQISA-N 2 1 337.552 3.409 10 30 EGEEMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001707249408 1417265823 /nfs/dbraw/zinc/26/58/23/1417265823.db2.gz NDTGARNSJQUPEY-CEXWTWQISA-N 2 1 337.552 3.409 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043536 1429173550 /nfs/dbraw/zinc/17/35/50/1429173550.db2.gz PVACEZAHGARROG-LSDHHAIUSA-N 2 1 328.460 3.048 10 30 EGEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001713265374 1417873779 /nfs/dbraw/zinc/87/37/79/1417873779.db2.gz CVDYCAHIUOMBNR-VQTJNVASSA-N 2 1 347.547 3.330 10 30 EGEEMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398065 1418016983 /nfs/dbraw/zinc/01/69/83/1418016983.db2.gz PXHSYLLXVPRZHE-QUCCMNQESA-N 2 1 349.563 3.384 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713765961 1418578938 /nfs/dbraw/zinc/57/89/38/1418578938.db2.gz HZLRGZIIUDGNCV-UHFFFAOYSA-N 2 1 337.552 3.101 10 30 EGEEMP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713765961 1418578940 /nfs/dbraw/zinc/57/89/40/1418578940.db2.gz HZLRGZIIUDGNCV-UHFFFAOYSA-N 2 1 337.552 3.101 10 30 EGEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714118473 1418922760 /nfs/dbraw/zinc/92/27/60/1418922760.db2.gz SHCNPKVJWPUVHR-OALUTQOASA-N 2 1 335.536 3.044 10 30 EGEEMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001714366334 1419126196 /nfs/dbraw/zinc/12/61/96/1419126196.db2.gz NXEUMBXXSLSJOG-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001714366334 1419126198 /nfs/dbraw/zinc/12/61/98/1419126198.db2.gz NXEUMBXXSLSJOG-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001714366334 1419126199 /nfs/dbraw/zinc/12/61/99/1419126199.db2.gz NXEUMBXXSLSJOG-IBGZPJMESA-N 2 1 347.547 3.142 10 30 EGEEMP CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714448465 1419181079 /nfs/dbraw/zinc/18/10/79/1419181079.db2.gz KDQKEEUSJGWYFH-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714448465 1419181081 /nfs/dbraw/zinc/18/10/81/1419181081.db2.gz KDQKEEUSJGWYFH-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP CCCCCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714448465 1419181083 /nfs/dbraw/zinc/18/10/83/1419181083.db2.gz KDQKEEUSJGWYFH-OALUTQOASA-N 2 1 337.552 3.221 10 30 EGEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001714803134 1419516869 /nfs/dbraw/zinc/51/68/69/1419516869.db2.gz KQXPBTDSTTVTMP-HKUYNNGSSA-N 2 1 347.547 3.044 10 30 EGEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714976448 1419711168 /nfs/dbraw/zinc/71/11/68/1419711168.db2.gz NJWPRQHJYLDHNN-RBUKOAKNSA-N 2 1 335.536 3.092 10 30 EGEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715048702 1419790012 /nfs/dbraw/zinc/79/00/12/1419790012.db2.gz XOIWIDPDKOZOCO-MOPGFXCFSA-N 2 1 335.536 3.140 10 30 EGEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715437994 1420123536 /nfs/dbraw/zinc/12/35/36/1420123536.db2.gz SCGZLMNNGSKOMC-AZUAARDMSA-N 2 1 347.547 3.188 10 30 EGEEMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001715443034 1420127974 /nfs/dbraw/zinc/12/79/74/1420127974.db2.gz GQWWEURFUFBERE-VQTJNVASSA-N 2 1 349.563 3.435 10 30 EGEEMP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715473015 1420152135 /nfs/dbraw/zinc/15/21/35/1420152135.db2.gz KRYZPXKWOPQAEZ-ROUUACIJSA-N 2 1 337.552 3.147 10 30 EGEEMP C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001715484665 1420164698 /nfs/dbraw/zinc/16/46/98/1420164698.db2.gz KKLXFRDULXNOAK-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715484665 1420164701 /nfs/dbraw/zinc/16/47/01/1420164701.db2.gz KKLXFRDULXNOAK-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=CCC[C@H](C)[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001715484665 1420164707 /nfs/dbraw/zinc/16/47/07/1420164707.db2.gz KKLXFRDULXNOAK-ICSRJNTNSA-N 2 1 349.563 3.243 10 30 EGEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478287 1420693680 /nfs/dbraw/zinc/69/36/80/1420693680.db2.gz PZQFDCLGLMUSOU-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716478287 1420693681 /nfs/dbraw/zinc/69/36/81/1420693681.db2.gz PZQFDCLGLMUSOU-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716478287 1420693684 /nfs/dbraw/zinc/69/36/84/1420693684.db2.gz PZQFDCLGLMUSOU-MSOLQXFVSA-N 2 1 335.536 3.044 10 30 EGEEMP C#CCC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001733277523 1429443728 /nfs/dbraw/zinc/44/37/28/1429443728.db2.gz GRDNERMKVYOPCY-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C#CCC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001733277523 1429443731 /nfs/dbraw/zinc/44/37/31/1429443731.db2.gz GRDNERMKVYOPCY-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C#CCC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001733277523 1429443735 /nfs/dbraw/zinc/44/37/35/1429443735.db2.gz GRDNERMKVYOPCY-IBGZPJMESA-N 2 1 347.547 3.025 10 30 EGEEMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716884145 1421007924 /nfs/dbraw/zinc/00/79/24/1421007924.db2.gz QTBQVDYTUJHOFO-RBUKOAKNSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716884143 1421008019 /nfs/dbraw/zinc/00/80/19/1421008019.db2.gz QTBQVDYTUJHOFO-MOPGFXCFSA-N 2 1 349.563 3.432 10 30 EGEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903111 1421036354 /nfs/dbraw/zinc/03/63/54/1421036354.db2.gz XETBRUDZLAOUAP-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001716903111 1421036356 /nfs/dbraw/zinc/03/63/56/1421036356.db2.gz XETBRUDZLAOUAP-TZIWHRDSSA-N 2 1 343.515 3.084 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038522 1421092959 /nfs/dbraw/zinc/09/29/59/1421092959.db2.gz OMMYCZLTJQXNBK-UXHICEINSA-N 2 1 347.547 3.284 10 30 EGEEMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038521 1421093113 /nfs/dbraw/zinc/09/31/13/1421093113.db2.gz OMMYCZLTJQXNBK-PMACEKPBSA-N 2 1 347.547 3.284 10 30 EGEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001717201650 1421170022 /nfs/dbraw/zinc/17/00/22/1421170022.db2.gz ZYYVVJASKZNDLW-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201650 1421170024 /nfs/dbraw/zinc/17/00/24/1421170024.db2.gz ZYYVVJASKZNDLW-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001717201650 1421170025 /nfs/dbraw/zinc/17/00/25/1421170025.db2.gz ZYYVVJASKZNDLW-UXHICEINSA-N 2 1 343.515 3.226 10 30 EGEEMP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001717215949 1421193708 /nfs/dbraw/zinc/19/37/08/1421193708.db2.gz BFAVTZIWHOPEJL-VQTJNVASSA-N 2 1 349.563 3.388 10 30 EGEEMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001717215949 1421193709 /nfs/dbraw/zinc/19/37/09/1421193709.db2.gz 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